smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccc1C)C(C)C ZINC000430209885 1019363398 /nfs/dbraw/zinc/36/33/98/1019363398.db2.gz SOEBBRCSBJQPGD-LJQANCHMSA-N 0 3 328.412 4.399 20 5 EIBDHN C[C@@H]1CCCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000547931360 1020895248 /nfs/dbraw/zinc/89/52/48/1020895248.db2.gz QJFNDNXWBZQUNE-CYBMUJFWSA-N 0 3 331.441 4.483 20 5 EIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCO[C@@H](c2ccccc2)C1 ZINC000610368734 1021543234 /nfs/dbraw/zinc/54/32/34/1021543234.db2.gz HTFCLJOEZCKRAB-DNVCBOLYSA-N 0 3 326.396 4.119 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000610370724 1021549858 /nfs/dbraw/zinc/54/98/58/1021549858.db2.gz PHKYRJGAAKXWGI-MRXNPFEDSA-N 0 3 328.437 4.209 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000177791260 1022208973 /nfs/dbraw/zinc/20/89/73/1022208973.db2.gz RXHIZTSHMUYHQM-STQMWFEESA-N 0 3 328.368 4.044 20 5 EIBDHN CCOC(C)(C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188692873 1022550936 /nfs/dbraw/zinc/55/09/36/1022550936.db2.gz LGUOFTBHECTQLP-SFHVURJKSA-N 0 3 328.412 4.089 20 5 EIBDHN O=[N+]([O-])c1cccc(CN(CCc2ccc(F)c(F)c2)C2CC2)c1 ZINC001167734657 1022650250 /nfs/dbraw/zinc/65/02/50/1022650250.db2.gz PNAOENAPCIVGIK-UHFFFAOYSA-N 0 3 332.350 4.080 20 5 EIBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000178217716 1022784612 /nfs/dbraw/zinc/78/46/12/1022784612.db2.gz YEICGPGRQRTDDR-KGLIPLIRSA-N 0 3 326.396 4.250 20 5 EIBDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177551877 1022972945 /nfs/dbraw/zinc/97/29/45/1022972945.db2.gz FZWOCFFNQUYMSO-BBRMVZONSA-N 0 3 337.379 4.114 20 5 EIBDHN CCC[C@H]1[C@@H](C)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072776097 1023845335 /nfs/dbraw/zinc/84/53/35/1023845335.db2.gz JZISCOJRGMEVCL-BBRMVZONSA-N 0 3 344.415 4.045 20 5 EIBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000610573518 1023947154 /nfs/dbraw/zinc/94/71/54/1023947154.db2.gz NVHGEZBRZXKCPC-UKRRQHHQSA-N 0 3 331.441 4.121 20 5 EIBDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000128490476 1024080559 /nfs/dbraw/zinc/08/05/59/1024080559.db2.gz MXAMGTNFAPZVKK-UONOGXRCSA-N 0 3 344.411 4.332 20 5 EIBDHN O=[N+]([O-])c1cc2c(cc1NC1c3ccccc3-c3ccccc31)CNC2 ZINC001167775837 1024251169 /nfs/dbraw/zinc/25/11/69/1024251169.db2.gz CASBOKHFTGBVMV-UHFFFAOYSA-N 0 3 343.386 4.380 20 5 EIBDHN CCC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000548487821 1024844749 /nfs/dbraw/zinc/84/47/49/1024844749.db2.gz IJEACSWPRJZDGQ-CJNGLKHVSA-N 0 3 344.415 4.093 20 5 EIBDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000510959885 1024866195 /nfs/dbraw/zinc/86/61/95/1024866195.db2.gz QHYXJDDKKBGQRY-PXAZEXFGSA-N 0 3 344.386 4.389 20 5 EIBDHN COc1ccc(CN(Cc2ccc(C)s2)C(C)C)cc1[N+](=O)[O-] ZINC000065162670 1025055096 /nfs/dbraw/zinc/05/50/96/1025055096.db2.gz MEVFSTMIVDGTEN-UHFFFAOYSA-N 0 3 334.441 4.384 20 5 EIBDHN C[C@H](O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000279029914 1025974311 /nfs/dbraw/zinc/97/43/11/1025974311.db2.gz IIEMTKDELXBFRX-DJJJIMSYSA-N 0 3 340.423 4.160 20 5 EIBDHN CC(C)[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507190408 1026695668 /nfs/dbraw/zinc/69/56/68/1026695668.db2.gz ZFUWZQOFGVBCTF-MRXNPFEDSA-N 0 3 331.441 4.339 20 5 EIBDHN CC[C@@H](NCc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152252988 1029654907 /nfs/dbraw/zinc/65/49/07/1029654907.db2.gz FULLSGKFFCSEOP-GOSISDBHSA-N 0 3 336.395 4.021 20 5 EIBDHN COc1cccc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447534432 1030139362 /nfs/dbraw/zinc/13/93/62/1030139362.db2.gz XGKGOQFTPZFWNK-ORAYPTAESA-N 0 3 326.396 4.332 20 5 EIBDHN COc1cccc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447534431 1030139737 /nfs/dbraw/zinc/13/97/37/1030139737.db2.gz XGKGOQFTPZFWNK-DJJJIMSYSA-N 0 3 326.396 4.332 20 5 EIBDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000453244454 1031766095 /nfs/dbraw/zinc/76/60/95/1031766095.db2.gz DVUPHFUELFAPMU-DJJJIMSYSA-N 0 3 326.396 4.332 20 5 EIBDHN C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171410526 1034197566 /nfs/dbraw/zinc/19/75/66/1034197566.db2.gz JIYCEESDFLUFNN-RSUWNVLCSA-N 0 3 344.415 4.120 20 5 EIBDHN CC(C)c1ccc(CNCCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000513588592 1035045927 /nfs/dbraw/zinc/04/59/27/1035045927.db2.gz NFNIKHDVSQWDCD-UHFFFAOYSA-N 0 3 332.375 4.026 20 5 EIBDHN COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC000595102847 1035587755 /nfs/dbraw/zinc/58/77/55/1035587755.db2.gz GLRJMLPBDQJBBV-SFHVURJKSA-N 0 3 326.396 4.079 20 5 EIBDHN CCC[C@H](N[C@H](c1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595101415 1035588883 /nfs/dbraw/zinc/58/88/83/1035588883.db2.gz FLACTVLNCVIXOM-JVPBZIDWSA-N 0 3 328.412 4.148 20 5 EIBDHN COc1cc(CN2CCC[C@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000485746960 1036239016 /nfs/dbraw/zinc/23/90/16/1036239016.db2.gz USYLFFHSUOJQSB-KRWDZBQOSA-N 0 3 326.396 4.249 20 5 EIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H](C)C(C)(C)C ZINC000603056999 1036715340 /nfs/dbraw/zinc/71/53/40/1036715340.db2.gz YBAOMPHPVZFQBZ-CHWSQXEVSA-N 0 3 346.431 4.320 20 5 EIBDHN Cc1ccc([C@H](C)NCc2cc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486715784 1036823701 /nfs/dbraw/zinc/82/37/01/1036823701.db2.gz WUFUCPUEDSESCP-LBPRGKRZSA-N 0 3 327.359 4.374 20 5 EIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC3(CC3(F)F)CC2)o1 ZINC000593674365 1036874242 /nfs/dbraw/zinc/87/42/42/1036874242.db2.gz ZTNGTUHEBXNPFY-UHFFFAOYSA-N 0 3 348.349 4.476 20 5 EIBDHN CC(C)c1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000590380239 1037056836 /nfs/dbraw/zinc/05/68/36/1037056836.db2.gz WIDUAJVSIYPODQ-LJQANCHMSA-N 0 3 344.455 4.109 20 5 EIBDHN C[C@@H]1c2ccsc2CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012530 1037146788 /nfs/dbraw/zinc/14/67/88/1037146788.db2.gz MOFNFTBUFWORTD-CYBMUJFWSA-N 0 3 332.425 4.045 20 5 EIBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000604012539 1037147529 /nfs/dbraw/zinc/14/75/29/1037147529.db2.gz NXQIKXYRIDWOSK-IBGZPJMESA-N 0 3 344.386 4.340 20 5 EIBDHN C[C@@H](c1ccccc1F)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604013583 1037147751 /nfs/dbraw/zinc/14/77/51/1037147751.db2.gz RCVUEZSDRCSKQZ-AWEZNQCLSA-N 0 3 332.375 4.196 20 5 EIBDHN COc1cc(CNC2(c3ccc(F)cc3)CCCC2)ccc1[N+](=O)[O-] ZINC000489987200 1038308189 /nfs/dbraw/zinc/30/81/89/1038308189.db2.gz HZMBYKMSHUHQNH-UHFFFAOYSA-N 0 3 344.386 4.302 20 5 EIBDHN CCOc1ccc([C@@H](C)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000504921187 1038844338 /nfs/dbraw/zinc/84/43/38/1038844338.db2.gz RYTPTLLIENXSLY-YYRKOSNBSA-N 0 3 326.396 4.358 20 5 EIBDHN COc1ccccc1[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537615048 1038895321 /nfs/dbraw/zinc/89/53/21/1038895321.db2.gz JZJKMCMWQSOMSE-BQLWYNFJSA-N 0 3 338.407 4.106 20 5 EIBDHN CC(C)(C)[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534108686 1039128690 /nfs/dbraw/zinc/12/86/90/1039128690.db2.gz STTWNPBVIBXMQW-INIZCTEOSA-N 0 3 329.400 4.260 20 5 EIBDHN CCOc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192681551 1040057630 /nfs/dbraw/zinc/05/76/30/1040057630.db2.gz PVZLRIJHGHFSJE-LJQANCHMSA-N 0 3 326.396 4.161 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029833342 1040465937 /nfs/dbraw/zinc/46/59/37/1040465937.db2.gz GWNOXCWIFVWUDE-OAHLLOKOSA-N 0 3 337.379 4.116 20 5 EIBDHN CC[C@H](C)CN(CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000160552463 1040595406 /nfs/dbraw/zinc/59/54/06/1040595406.db2.gz ZMUMNLQRPFLOKV-STQMWFEESA-N 0 3 332.404 4.074 20 5 EIBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000435783296 1040631877 /nfs/dbraw/zinc/63/18/77/1040631877.db2.gz WGLDHGWFSUFLTJ-CTYIDZIISA-N 0 3 334.778 4.423 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CCCO)c1ccccc1 ZINC000160789203 1040757755 /nfs/dbraw/zinc/75/77/55/1040757755.db2.gz IGBVJBZIRFEIID-BEFAXECRSA-N 0 3 328.412 4.068 20 5 EIBDHN CN(CCCOc1ccc(Cl)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000515495918 1040801754 /nfs/dbraw/zinc/80/17/54/1040801754.db2.gz KFHOYKJNHMIAPD-UHFFFAOYSA-N 0 3 334.803 4.149 20 5 EIBDHN COc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000537973505 1040980151 /nfs/dbraw/zinc/98/01/51/1040980151.db2.gz MXBBQVCPXKABDL-INIZCTEOSA-N 0 3 346.814 4.424 20 5 EIBDHN Cc1c(CNCc2cccc(-c3cccnc3)c2)cccc1[N+](=O)[O-] ZINC000480442250 1041295479 /nfs/dbraw/zinc/29/54/79/1041295479.db2.gz HWWIHKVWBCJZPL-UHFFFAOYSA-N 0 3 333.391 4.255 20 5 EIBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000480673857 1041464935 /nfs/dbraw/zinc/46/49/35/1041464935.db2.gz WVKZWIZBNFRNBE-SNVBAGLBSA-N 0 3 340.210 4.190 20 5 EIBDHN CCCC1CCC(N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000484870077 1041481861 /nfs/dbraw/zinc/48/18/61/1041481861.db2.gz YJQXVNOXZQYUOO-UHFFFAOYSA-N 0 3 347.459 4.132 20 5 EIBDHN Cc1c(CN[C@H]2c3cccc(F)c3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000516500547 1041608049 /nfs/dbraw/zinc/60/80/49/1041608049.db2.gz YMHHUENBIGUDMA-CWTRNNRKSA-N 0 3 328.387 4.456 20 5 EIBDHN C[C@H]1c2ccccc2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000541201049 1041842761 /nfs/dbraw/zinc/84/27/61/1041842761.db2.gz JDFNRSQHIHQECM-AWEZNQCLSA-N 0 3 349.390 4.369 20 5 EIBDHN CC(C)c1ccc(CN[C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414918362 1041967305 /nfs/dbraw/zinc/96/73/05/1041967305.db2.gz SFSLOUBIADOBRA-LJQANCHMSA-N 0 3 339.439 4.468 20 5 EIBDHN Cc1ccc([C@H](C)N[C@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000426311576 1042545679 /nfs/dbraw/zinc/54/56/79/1042545679.db2.gz QKJJJSACAFCURA-VEVIJQCQSA-N 0 3 346.452 4.318 20 5 EIBDHN CC(C)(CCc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000151961710 1042562616 /nfs/dbraw/zinc/56/26/16/1042562616.db2.gz NMRDUYUZRFGCCI-UHFFFAOYSA-N 0 3 339.395 4.237 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000426342703 1042576291 /nfs/dbraw/zinc/57/62/91/1042576291.db2.gz NFWUPJIKJCCULD-JCGVRSQUSA-N 0 3 346.452 4.318 20 5 EIBDHN CCOc1cc(CN[C@@H](c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492609642 1042705457 /nfs/dbraw/zinc/70/54/57/1042705457.db2.gz ULXFVNPMBCBOJV-IBGZPJMESA-N 0 3 326.396 4.234 20 5 EIBDHN CCOC[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000494222795 1043033604 /nfs/dbraw/zinc/03/36/04/1043033604.db2.gz IHIRWVAQJBZCGJ-ZDUSSCGKSA-N 0 3 348.374 4.041 20 5 EIBDHN Cc1ccc(Br)cc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000438905420 1043598336 /nfs/dbraw/zinc/59/83/36/1043598336.db2.gz QXCPKAXSCDTSOH-UHFFFAOYSA-N 0 3 349.228 4.264 20 5 EIBDHN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000245564810 1043984318 /nfs/dbraw/zinc/98/43/18/1043984318.db2.gz WKRAEWKJAZOVNR-KCQAQPDRSA-N 0 3 331.441 4.113 20 5 EIBDHN CC(C)c1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000439137657 1044133803 /nfs/dbraw/zinc/13/38/03/1044133803.db2.gz BGQMTSNNDYJGQA-UHFFFAOYSA-N 0 3 341.411 4.032 20 5 EIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC(c3ccccc3)C2)c1 ZINC000466422945 1044433830 /nfs/dbraw/zinc/43/38/30/1044433830.db2.gz WPVIGJGNOCMERQ-UHFFFAOYSA-N 0 3 348.349 4.232 20 5 EIBDHN Cc1csc([C@H]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000092788127 1044797730 /nfs/dbraw/zinc/79/77/30/1044797730.db2.gz QBPWPAPRTUMQIK-HNNXBMFYSA-N 0 3 331.441 4.048 20 5 EIBDHN CC(C)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C ZINC000474231291 1044809578 /nfs/dbraw/zinc/80/95/78/1044809578.db2.gz ZHQDMAMBQKFUOG-UHFFFAOYSA-N 0 3 346.431 4.149 20 5 EIBDHN C[C@H](NC[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154960914 1044852335 /nfs/dbraw/zinc/85/23/35/1044852335.db2.gz QUCHUVHGIOKEIE-MAUKXSAKSA-N 0 3 343.427 4.066 20 5 EIBDHN CC(C)(NC[C@H]1CCC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000429259323 1044858634 /nfs/dbraw/zinc/85/86/34/1044858634.db2.gz XFCAGQNORYSZIT-OAHLLOKOSA-N 0 3 332.444 4.301 20 5 EIBDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736627151 1044960935 /nfs/dbraw/zinc/96/09/35/1044960935.db2.gz CLFIXOWMOIREBE-JSGCOSHPSA-N 0 3 332.350 4.251 20 5 EIBDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000237344454 1044976866 /nfs/dbraw/zinc/97/68/66/1044976866.db2.gz ALCXCRWVKQKLQW-CQSZACIVSA-N 0 3 340.423 4.333 20 5 EIBDHN COCCC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000302091737 1045160895 /nfs/dbraw/zinc/16/08/95/1045160895.db2.gz PYISMHSSHZBVKT-UHFFFAOYSA-N 0 3 329.400 4.070 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2cccnc2)CC1 ZINC000611516906 1045320955 /nfs/dbraw/zinc/32/09/55/1045320955.db2.gz WFGGKCRIUPDJTR-OAHLLOKOSA-N 0 3 325.412 4.239 20 5 EIBDHN CCOc1ccc([C@H](C)N[C@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000153335017 1045515192 /nfs/dbraw/zinc/51/51/92/1045515192.db2.gz SYIFSHJQNHPEDB-SJCJKPOMSA-N 0 3 344.386 4.471 20 5 EIBDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194350735 1045719792 /nfs/dbraw/zinc/71/97/92/1045719792.db2.gz PYCAXQRBVSGKTL-STQMWFEESA-N 0 3 330.384 4.024 20 5 EIBDHN CCOc1ccc([C@H](C)NCc2ccc(OC)cc2C)cc1[N+](=O)[O-] ZINC000536850563 1046821240 /nfs/dbraw/zinc/82/12/40/1046821240.db2.gz GJUQQLUVBYLOLK-AWEZNQCLSA-N 0 3 344.411 4.161 20 5 EIBDHN C[C@H](CCCc1cccnc1)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000459641612 1046829925 /nfs/dbraw/zinc/82/99/25/1046829925.db2.gz RLVLIKBZTXNHAU-CYBMUJFWSA-N 0 3 333.819 4.144 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CNC3(C4CCC4)CCC3)co2)cc1 ZINC000459782927 1046882021 /nfs/dbraw/zinc/88/20/21/1046882021.db2.gz YQPQGOCKZJVMKB-UHFFFAOYSA-N 0 3 327.384 4.062 20 5 EIBDHN CCCCOc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788540847 1047218578 /nfs/dbraw/zinc/21/85/78/1047218578.db2.gz VZNQHIKXTXEABP-AWEZNQCLSA-N 0 3 343.427 4.207 20 5 EIBDHN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000788535095 1047231857 /nfs/dbraw/zinc/23/18/57/1047231857.db2.gz CDPOMXUZQLMFBL-ZWKOTPCHSA-N 0 3 348.830 4.096 20 5 EIBDHN C[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788649270 1047248415 /nfs/dbraw/zinc/24/84/15/1047248415.db2.gz RIOVPKYIICESMW-MGPLVRAMSA-N 0 3 331.803 4.169 20 5 EIBDHN C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788671806 1047269541 /nfs/dbraw/zinc/26/95/41/1047269541.db2.gz NXVVAUVLWREAHY-PXAZEXFGSA-N 0 3 325.412 4.250 20 5 EIBDHN C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788671811 1047270282 /nfs/dbraw/zinc/27/02/82/1047270282.db2.gz NXVVAUVLWREAHY-SJKOYZFVSA-N 0 3 325.412 4.250 20 5 EIBDHN COc1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-] ZINC000550628421 1047780432 /nfs/dbraw/zinc/78/04/32/1047780432.db2.gz HUEHHRKAHZKRCF-ZDUSSCGKSA-N 0 3 326.396 4.332 20 5 EIBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000814301190 1047966041 /nfs/dbraw/zinc/96/60/41/1047966041.db2.gz WGZXGIQFGXXKIC-NNUKFRKNSA-N 0 3 334.778 4.423 20 5 EIBDHN Cc1csc([C@@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000195328851 1048653797 /nfs/dbraw/zinc/65/37/97/1048653797.db2.gz VPQOIYZFELTWJW-DZGCQCFKSA-N 0 3 331.441 4.300 20 5 EIBDHN Cc1csc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000195322585 1048658157 /nfs/dbraw/zinc/65/81/57/1048658157.db2.gz NRWMSXSGFHQYJT-HNNXBMFYSA-N 0 3 331.441 4.048 20 5 EIBDHN CC([C@H](OC(=O)[C@@H](C)c1ccccc1F)c1ccccc1F)[N+](=O)[O-] ZINC000845874739 1048751453 /nfs/dbraw/zinc/75/14/53/1048751453.db2.gz JWUXENCMKASSLK-JKDFXYPNSA-N 0 3 349.333 4.018 20 5 EIBDHN C[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccncc1 ZINC000811482715 1049079737 /nfs/dbraw/zinc/07/97/37/1049079737.db2.gz PXKHNKKIGDIFQD-SNVBAGLBSA-N 0 3 340.210 4.190 20 5 EIBDHN CC(COC(=O)c1sc2cccc(Cl)c2c1Cl)[N+](=O)[O-] ZINC000813114102 1049689718 /nfs/dbraw/zinc/68/97/18/1049689718.db2.gz YTNOYTJAMYEMQQ-LURJTMIESA-N 0 3 334.180 4.030 20 5 EIBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC001171050310 1049905054 /nfs/dbraw/zinc/90/50/54/1049905054.db2.gz WCNPFZYSNAFAGI-LSDHHAIUSA-N 0 3 340.851 4.320 20 5 EIBDHN c1ccc2c(c1)cc(-c1noc([C@@]34C[C@@H]3CCN4)n1)c1ccccc21 ZINC001212343059 1050148686 /nfs/dbraw/zinc/14/86/86/1050148686.db2.gz HWXAFZHQDJLSGR-LHSJRXKWSA-N 0 3 327.387 4.252 20 5 EIBDHN Cc1ccccc1C[C@@H](C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618551773 1050409122 /nfs/dbraw/zinc/40/91/22/1050409122.db2.gz ZWQOFKORSAHUEZ-CQSZACIVSA-N 0 3 339.395 4.107 20 5 EIBDHN CC1(C)C(CNCc2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC001178549480 1050499573 /nfs/dbraw/zinc/49/95/73/1050499573.db2.gz JDTIQVZWKGICDK-UHFFFAOYSA-N 0 3 341.249 4.129 20 5 EIBDHN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000183512639 1051137379 /nfs/dbraw/zinc/13/73/79/1051137379.db2.gz AJSJHWMKOOZLFH-UYHISHBKSA-N 0 3 346.814 4.429 20 5 EIBDHN Cc1ccccc1OCCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC001190417525 1051179179 /nfs/dbraw/zinc/17/91/79/1051179179.db2.gz JZZRKHFUSHABLW-UHFFFAOYSA-N 0 3 328.412 4.113 20 5 EIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001182498764 1051619555 /nfs/dbraw/zinc/61/95/55/1051619555.db2.gz LKEUMSQPIPNGQZ-NIKGAXFTSA-N 0 3 328.387 4.143 20 5 EIBDHN Cc1cc2cc3cc(C)c(Nc4cnc(N)nc4C)cc3nc2cc1N ZINC001175673250 1051726295 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EIBDHN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121901062 1053855785 /nfs/dbraw/zinc/85/57/85/1053855785.db2.gz YUBGZGJTXZEFQW-ZWKOTPCHSA-N 0 3 344.411 4.056 20 5 EIBDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775765414 1053860200 /nfs/dbraw/zinc/86/02/00/1053860200.db2.gz OCJRZXIHYJFIPW-UHFFFAOYSA-N 0 3 348.830 4.021 20 5 EIBDHN CC(C)(C)CC[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001202158656 1055063183 /nfs/dbraw/zinc/06/31/83/1055063183.db2.gz OKNLUVLUYBJMSN-AWEZNQCLSA-N 0 3 346.427 4.132 20 5 EIBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000776276627 1055144608 /nfs/dbraw/zinc/14/46/08/1055144608.db2.gz LIDZCJWAZIPJGW-MSOLQXFVSA-N 0 3 346.814 4.119 20 5 EIBDHN CCCC[C@H]1CCC[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878420910 1055304152 /nfs/dbraw/zinc/30/41/52/1055304152.db2.gz RNQDSDGQQPHPSC-DZGCQCFKSA-N 0 3 344.415 4.093 20 5 EIBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000338707810 1056422615 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ZINC000566474333 1023302289 /nfs/dbraw/zinc/30/22/89/1023302289.db2.gz GNCFMNUHNNAELV-LWLIDHTLSA-N 0 3 344.386 4.087 20 5 EIBDHN COc1ccc(CN[C@H](C)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000418107786 1023533745 /nfs/dbraw/zinc/53/37/45/1023533745.db2.gz FCELYSQPZKIZJE-CYBMUJFWSA-N 0 3 326.396 4.332 20 5 EIBDHN COc1ccc(CN2CCC[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000500180751 1023571664 /nfs/dbraw/zinc/57/16/64/1023571664.db2.gz NMKMNVCKYCVHHS-FQEVSTJZSA-N 0 3 340.423 4.157 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001167482336 1023695553 /nfs/dbraw/zinc/69/55/53/1023695553.db2.gz JHWPNCVJWRZAMQ-OAHLLOKOSA-N 0 3 330.815 4.313 20 5 EIBDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072776094 1023845167 /nfs/dbraw/zinc/84/51/67/1023845167.db2.gz JZISCOJRGMEVCL-XJKSGUPXSA-N 0 3 344.415 4.045 20 5 EIBDHN CO[C@@H](C)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000466887397 1023979380 /nfs/dbraw/zinc/97/93/80/1023979380.db2.gz 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COc1ccc(CN[C@@H]2CC[C@@H](C)c3ccsc32)cc1[N+](=O)[O-] ZINC000453073682 1031558186 /nfs/dbraw/zinc/55/81/86/1031558186.db2.gz BXSRUCSEOQCZDK-BXUZGUMPSA-N 0 3 332.425 4.393 20 5 EIBDHN CO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(C)C ZINC000449506689 1031815309 /nfs/dbraw/zinc/81/53/09/1031815309.db2.gz ZKMOMGKESLLEMT-GOSISDBHSA-N 0 3 344.411 4.102 20 5 EIBDHN CN(C)c1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433174939 1033986916 /nfs/dbraw/zinc/98/69/16/1033986916.db2.gz OMQHUELWYVFKKJ-LJQANCHMSA-N 0 3 339.439 4.173 20 5 EIBDHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171410521 1034198127 /nfs/dbraw/zinc/19/81/27/1034198127.db2.gz JIYCEESDFLUFNN-NFFDBFGFSA-N 0 3 344.415 4.120 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CC(F)(F)F)C(C)C ZINC000595039946 1035566107 /nfs/dbraw/zinc/56/61/07/1035566107.db2.gz IHTGIOADSNHSPT-ZWNOBZJWSA-N 0 3 334.338 4.231 20 5 EIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000026720073 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EIBDHN Cc1ccc(CNCc2ccccc2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000599015471 1036850935 /nfs/dbraw/zinc/85/09/35/1036850935.db2.gz GBDAVAUUNLXQIP-UHFFFAOYSA-N 0 3 338.329 4.298 20 5 EIBDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486780496 1036851145 /nfs/dbraw/zinc/85/11/45/1036851145.db2.gz VMPZCYFKJDFLQR-CJNGLKHVSA-N 0 3 344.415 4.045 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC(C4CC4)C3)o2)c(Cl)c1 ZINC000589736765 1036872417 /nfs/dbraw/zinc/87/24/17/1036872417.db2.gz KJIOBEWICNKHPW-UHFFFAOYSA-N 0 3 332.787 4.350 20 5 EIBDHN CSc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])N(C)C)cc1 ZINC000590150804 1036992109 /nfs/dbraw/zinc/99/21/09/1036992109.db2.gz IGDHAQPMROXMFQ-CQSZACIVSA-N 0 3 337.470 4.093 20 5 EIBDHN Cc1c(CN(C)CCOc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000603843692 1037036117 /nfs/dbraw/zinc/03/61/17/1037036117.db2.gz UGFVTJVGRVSMJR-UHFFFAOYSA-N 0 3 334.803 4.067 20 5 EIBDHN C[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)c1cccc([N+](=O)[O-])c1 ZINC000171415738 1037396524 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EIBDHN Cc1nc(C)c([C@@H](C)N(C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000303286850 1045255646 /nfs/dbraw/zinc/25/56/46/1045255646.db2.gz KEQNJWJHVVIQRS-CYBMUJFWSA-N 0 3 349.456 4.130 20 5 EIBDHN Cc1nc(C)c([C@H](C)N(C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000303286851 1045256611 /nfs/dbraw/zinc/25/66/11/1045256611.db2.gz KEQNJWJHVVIQRS-ZDUSSCGKSA-N 0 3 349.456 4.130 20 5 EIBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000193902122 1045538412 /nfs/dbraw/zinc/53/84/12/1045538412.db2.gz QBHPMAYBGMJLBT-SCLBCKFNSA-N 0 3 326.396 4.332 20 5 EIBDHN COc1cc(C)c([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000790694541 1045561196 /nfs/dbraw/zinc/56/11/96/1045561196.db2.gz IRIUSVGHGPLPHJ-OAHLLOKOSA-N 0 3 328.412 4.379 20 5 EIBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC2(CCCCC2)O1 ZINC000790994591 1045649589 /nfs/dbraw/zinc/64/95/89/1045649589.db2.gz DFJDKFMMTYHLJT-HNNXBMFYSA-N 0 3 338.835 4.220 20 5 EIBDHN Cc1c(CNCc2ccc3c(c2)CCC(C)(C)O3)cccc1[N+](=O)[O-] ZINC000791000495 1045651948 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20 5 EIBDHN CC(F)(F)CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824477176 1047872928 /nfs/dbraw/zinc/87/29/28/1047872928.db2.gz IGZBTIJSTXSYDH-UHFFFAOYSA-N 0 3 327.158 4.427 20 5 EIBDHN O=[N+]([O-])c1ccc(CNCCc2nc3ccccc3s2)cc1Cl ZINC000809728103 1048476098 /nfs/dbraw/zinc/47/60/98/1048476098.db2.gz KRTBRJZBQAZBJN-UHFFFAOYSA-N 0 3 347.827 4.190 20 5 EIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1c(F)cc(F)cc1F ZINC000815649326 1048574535 /nfs/dbraw/zinc/57/45/35/1048574535.db2.gz MHTHBVKJGFLSMR-LLVKDONJSA-N 0 3 338.329 4.123 20 5 EIBDHN COC1CCC(N(C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809948158 1048577674 /nfs/dbraw/zinc/57/76/74/1048577674.db2.gz WHEXOANMSSWDBB-UHFFFAOYSA-N 0 3 347.242 4.291 20 5 EIBDHN CCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000810043997 1048605674 /nfs/dbraw/zinc/60/56/74/1048605674.db2.gz VUWRPJFLGFVTQM-CQSZACIVSA-N 0 3 326.824 4.028 20 5 EIBDHN CC([C@H](OC(=O)[C@@H](C)c1ccccc1F)c1ccccc1F)[N+](=O)[O-] ZINC000845874745 1048752056 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4.018 20 5 EIBDHN C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001195393191 1053396242 /nfs/dbraw/zinc/39/62/42/1053396242.db2.gz AEQYSJWCFNHUBI-IBGZPJMESA-N 0 3 346.377 4.470 20 5 EIBDHN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776589569 1053574575 /nfs/dbraw/zinc/57/45/75/1053574575.db2.gz TVGRDIUJXZRUHC-JEBQAFNWSA-N 0 3 344.411 4.003 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ccc(F)cn2)CC1 ZINC001196263042 1053622196 /nfs/dbraw/zinc/62/21/96/1053622196.db2.gz LQQOCFFVVJHAQW-AWEZNQCLSA-N 0 3 343.402 4.378 20 5 EIBDHN C[C@@H](N[C@H]1CCOC2(CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049640 1054361740 /nfs/dbraw/zinc/36/17/40/1054361740.db2.gz UMBQRISCAQSVQY-KGLIPLIRSA-N 0 3 336.407 4.266 20 5 EIBDHN Cc1cc2cc3cc(C)c(Nc4ccc(N)nc4)cc3nc2cc1N ZINC001201294922 1054743436 /nfs/dbraw/zinc/74/34/36/1054743436.db2.gz KTARRJGKQZDHTK-UHFFFAOYSA-N 0 3 329.407 4.308 20 5 EIBDHN CC1(C)C(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC001202119783 1055040561 /nfs/dbraw/zinc/04/05/61/1055040561.db2.gz VEJINFQZIKYVHN-UHFFFAOYSA-N 0 3 345.468 4.490 20 5 EIBDHN O=[N+]([O-])c1ccccc1CCNCc1c(Cl)cccc1Cl ZINC001202228261 1055075410 /nfs/dbraw/zinc/07/54/10/1055075410.db2.gz SGBZTMGVXTYHRX-UHFFFAOYSA-N 0 3 325.195 4.234 20 5 EIBDHN CCCC[C@H]1CCC[C@@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878420913 1055303533 /nfs/dbraw/zinc/30/35/33/1055303533.db2.gz RNQDSDGQQPHPSC-ZFWWWQNUSA-N 0 3 344.415 4.093 20 5 EIBDHN CC(C)CN(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746061864 1059991125 /nfs/dbraw/zinc/99/11/25/1059991125.db2.gz LSQCSFIIQIFQKO-UHFFFAOYSA-N 0 3 338.411 4.060 20 5 EIBDHN Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)c2ccccc12 ZINC001169417408 1060808517 /nfs/dbraw/zinc/80/85/17/1060808517.db2.gz LLOYPMITCTUHIM-UHFFFAOYSA-N 0 3 333.391 4.272 20 5 EIBDHN O=[N+]([O-])c1ccc(OCCN(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC001167064883 1019226335 /nfs/dbraw/zinc/22/63/35/1019226335.db2.gz YOGWVGGUBCYAPZ-UHFFFAOYSA-N 0 3 346.814 4.292 20 5 EIBDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000336877601 1020131861 /nfs/dbraw/zinc/13/18/61/1020131861.db2.gz QYRUDTTYTGVWCU-DJJJIMSYSA-N 0 3 326.396 4.332 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000177791282 1022210444 /nfs/dbraw/zinc/21/04/44/1022210444.db2.gz RXHIZTSHMUYHQM-OLZOCXBDSA-N 0 3 328.368 4.044 20 5 EIBDHN COc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1OC ZINC000584552396 1022350180 /nfs/dbraw/zinc/35/01/80/1022350180.db2.gz YZWQWJDEBCIDCK-CQSZACIVSA-N 0 3 344.411 4.080 20 5 EIBDHN O=[N+]([O-])c1cccc([C@@H](NCCc2ccccc2O)c2ccccc2)c1 ZINC000180391155 1022601272 /nfs/dbraw/zinc/60/12/72/1022601272.db2.gz YTJMSFKPYAVWLK-NRFANRHFSA-N 0 3 348.402 4.222 20 5 EIBDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581143539 1022857018 /nfs/dbraw/zinc/85/70/18/1022857018.db2.gz WRSLHJMLPINFMH-IRXDYDNUSA-N 0 3 342.370 4.007 20 5 EIBDHN CCc1ccc([C@H](COC)N[C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000468560234 1023408012 /nfs/dbraw/zinc/40/80/12/1023408012.db2.gz MUTLNJQLQPYTLK-PBHICJAKSA-N 0 3 346.427 4.049 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(F)cc31)CCC2 ZINC000584523293 1023428240 /nfs/dbraw/zinc/42/82/40/1023428240.db2.gz BENITHBFVDLOKZ-OALUTQOASA-N 0 3 326.371 4.388 20 5 EIBDHN C[C@@H](NCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000047937753 1024371158 /nfs/dbraw/zinc/37/11/58/1024371158.db2.gz FHBHOCITOJBPGB-LLVKDONJSA-N 0 3 335.201 4.208 20 5 EIBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000122016242 1025348328 /nfs/dbraw/zinc/34/83/28/1025348328.db2.gz SLXVGEBGBDRBKU-UONOGXRCSA-N 0 3 342.395 4.086 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OC2CCCCC2)CC1 ZINC000568815394 1025393922 /nfs/dbraw/zinc/39/39/22/1025393922.db2.gz VKIOUEPFNJLUDS-UHFFFAOYSA-N 0 3 332.444 4.217 20 5 EIBDHN CCOCc1ccccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119552166 1025488787 /nfs/dbraw/zinc/48/87/87/1025488787.db2.gz XNZYLHCGALVKRI-HNNXBMFYSA-N 0 3 328.412 4.291 20 5 EIBDHN Cc1nc(C(C)C)ccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000550074933 1026016055 /nfs/dbraw/zinc/01/60/55/1026016055.db2.gz GWDWYUOJZMFXTO-UHFFFAOYSA-N 0 3 327.428 4.096 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000507182700 1026680780 /nfs/dbraw/zinc/68/07/80/1026680780.db2.gz NDRGSJFYXWIJQO-UHFFFAOYSA-N 0 3 328.387 4.189 20 5 EIBDHN O=[N+]([O-])c1ccccc1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000507203241 1026693975 /nfs/dbraw/zinc/69/39/75/1026693975.db2.gz JFVRRHWLBACCBR-UHFFFAOYSA-N 0 3 328.387 4.189 20 5 EIBDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178660898 1027265378 /nfs/dbraw/zinc/26/53/78/1027265378.db2.gz PXSRTDYENPMCRZ-GJZGRUSLSA-N 0 3 336.395 4.192 20 5 EIBDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC001167619966 1027373785 /nfs/dbraw/zinc/37/37/85/1027373785.db2.gz OGKUUKOJQZYGLV-GDBMZVCRSA-N 0 3 328.387 4.187 20 5 EIBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC001167619970 1027378390 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EIBDHN CC(C)(O)C(C)(C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453381196 1034042118 /nfs/dbraw/zinc/04/21/18/1034042118.db2.gz XGMILBHRGYRTKI-SFHVURJKSA-N 0 3 342.439 4.071 20 5 EIBDHN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182759340 1034988376 /nfs/dbraw/zinc/98/83/76/1034988376.db2.gz TZTUQCMZKUJFAI-RDTXWAMCSA-N 0 3 342.443 4.152 20 5 EIBDHN C[C@]1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000595080256 1035593282 /nfs/dbraw/zinc/59/32/82/1035593282.db2.gz PLFJUENTHHFGGX-IAGOWNOFSA-N 0 3 332.350 4.319 20 5 EIBDHN COCc1csc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000595078072 1035593541 /nfs/dbraw/zinc/59/35/41/1035593541.db2.gz SMQSAUPYDJRJDL-GOSISDBHSA-N 0 3 346.452 4.360 20 5 EIBDHN CC[C@H](N[C@H](c1ccccc1)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595094082 1035602517 /nfs/dbraw/zinc/60/25/17/1035602517.db2.gz BVWCDCRFOYJNHT-ZCNNSNEGSA-N 0 3 342.439 4.394 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(OC(F)F)c1)CCC2 ZINC000192979310 1036157772 /nfs/dbraw/zinc/15/77/72/1036157772.db2.gz POMBXTLRVRJPQP-QGZVFWFLSA-N 0 3 348.349 4.363 20 5 EIBDHN Cc1nc([C@H](C)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)s1 ZINC000588959522 1036621092 /nfs/dbraw/zinc/62/10/92/1036621092.db2.gz GAJLOZTWHNTTNE-JTQLQIEISA-N 0 3 344.440 4.043 20 5 EIBDHN C[C@H](CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000603057002 1036713986 /nfs/dbraw/zinc/71/39/86/1036713986.db2.gz YBAOMPHPVZFQBZ-OLZOCXBDSA-N 0 3 346.431 4.320 20 5 EIBDHN Cc1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421850560 1036806217 /nfs/dbraw/zinc/80/62/17/1036806217.db2.gz DJFSBPWODJWPPH-LJQANCHMSA-N 0 3 325.412 4.164 20 5 EIBDHN CCCCC[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486795178 1036855762 /nfs/dbraw/zinc/85/57/62/1036855762.db2.gz QCNPIZWCBAQKSV-OAHLLOKOSA-N 0 3 344.415 4.190 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC4(F)F)CC3)o2)cc1 ZINC000593674277 1036873136 /nfs/dbraw/zinc/87/31/36/1036873136.db2.gz YABYAHNTXOSOPU-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/31/52/21/1038315221.db2.gz XESOBGCVZMUMIK-MAUKXSAKSA-N 0 3 325.412 4.232 20 5 EIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000059394161 1038484391 /nfs/dbraw/zinc/48/43/91/1038484391.db2.gz WBPRQFBZARVFDD-MRXNPFEDSA-N 0 3 337.782 4.102 20 5 EIBDHN CC(C)Oc1ccccc1[C@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000539227328 1038893120 /nfs/dbraw/zinc/89/31/20/1038893120.db2.gz ZRRBBKGLRZTCQK-HNNXBMFYSA-N 0 3 344.411 4.112 20 5 EIBDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000481476463 1039488124 /nfs/dbraw/zinc/48/81/24/1039488124.db2.gz ACQYNTBESXTGAL-SJKOYZFVSA-N 0 3 334.803 4.114 20 5 EIBDHN COc1ccc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000534646230 1039622129 /nfs/dbraw/zinc/62/21/29/1039622129.db2.gz MMTMHNCGVPTFJB-IBGZPJMESA-N 0 3 344.386 4.292 20 5 EIBDHN CCc1noc(C)c1CN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000550864422 1039805292 /nfs/dbraw/zinc/80/52/92/1039805292.db2.gz YBMRKGFSHRIYNM-ZDUSSCGKSA-N 0 3 349.456 4.114 20 5 EIBDHN C[C@@H]1CCC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562441 1040360421 /nfs/dbraw/zinc/36/04/21/1040360421.db2.gz XPEVXYQZNGANLT-CXAGYDPISA-N 0 3 329.400 4.260 20 5 EIBDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539507840 1040501212 /nfs/dbraw/zinc/50/12/12/1040501212.db2.gz JXZNTBLQQRDAIO-NJSLBKSFSA-N 0 3 346.402 4.469 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(F)ccc31)CCC2 ZINC000192770162 1040533698 /nfs/dbraw/zinc/53/36/98/1040533698.db2.gz DCLHKYALQGGLEH-RBUKOAKNSA-N 0 3 326.371 4.388 20 5 EIBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](c2ccccc2)C1 ZINC000435783785 1040632096 /nfs/dbraw/zinc/63/20/96/1040632096.db2.gz ZKRRLZNXSZFLAM-JCNLHEQBSA-N 0 3 326.396 4.029 20 5 EIBDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538408176 1041324091 /nfs/dbraw/zinc/32/40/91/1041324091.db2.gz BSJQVAQWHJXTJS-KSMMKXTCSA-N 0 3 346.402 4.469 20 5 EIBDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538408182 1041324752 /nfs/dbraw/zinc/32/47/52/1041324752.db2.gz BSJQVAQWHJXTJS-TYILLQQXSA-N 0 3 346.402 4.469 20 5 EIBDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540605423 1041558243 /nfs/dbraw/zinc/55/82/43/1041558243.db2.gz FRMIKZUHCMLIIB-KSMMKXTCSA-N 0 3 346.402 4.469 20 5 EIBDHN CCCC[C@@H]1CCC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460351951 1041812452 /nfs/dbraw/zinc/81/24/52/1041812452.db2.gz BLPSPJRPXZPCAK-CZUORRHYSA-N 0 3 344.415 4.093 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC3CCCCC3)o2)cc1 ZINC000517544301 1042066236 /nfs/dbraw/zinc/06/62/36/1042066236.db2.gz FBITXTFMVPYFMJ-UHFFFAOYSA-N 0 3 344.411 4.294 20 5 EIBDHN CN(CCc1cccs1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549862608 1042440488 /nfs/dbraw/zinc/44/04/88/1042440488.db2.gz VYSUQYUFDGBTSC-UHFFFAOYSA-N 0 3 344.358 4.350 20 5 EIBDHN CC(C)CCOCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000518280545 1042451049 /nfs/dbraw/zinc/45/10/49/1042451049.db2.gz WUOOOJHVIPYMHD-UHFFFAOYSA-N 0 3 332.400 4.007 20 5 EIBDHN CCOc1cc(CN[C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492530065 1042684161 /nfs/dbraw/zinc/68/41/61/1042684161.db2.gz DBXWZSBNQUQDJM-IBGZPJMESA-N 0 3 328.412 4.480 20 5 EIBDHN COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C(C)C)cc1 ZINC000493012557 1042791028 /nfs/dbraw/zinc/79/10/28/1042791028.db2.gz ZEHQEGDEKRNRDH-IBGZPJMESA-N 0 3 344.411 4.099 20 5 EIBDHN CCCC[C@H]1CCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704414 1042884148 /nfs/dbraw/zinc/88/41/48/1042884148.db2.gz JFMRTVBWARUUFB-BBRMVZONSA-N 0 3 344.415 4.093 20 5 EIBDHN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCCSC2)c2ccccc2)c1 ZINC000493249570 1042888882 /nfs/dbraw/zinc/88/88/82/1042888882.db2.gz QITBWCUUWYTCRB-FUHWJXTLSA-N 0 3 328.437 4.169 20 5 EIBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)Cc1ccsc1 ZINC000614604120 1042914120 /nfs/dbraw/zinc/91/41/20/1042914120.db2.gz VHAQNZMQTYCBBA-LBPRGKRZSA-N 0 3 345.424 4.251 20 5 EIBDHN CC[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000120947290 1043185576 /nfs/dbraw/zinc/18/55/76/1043185576.db2.gz ZEAVJPBVQHKGEC-LJQANCHMSA-N 0 3 345.418 4.036 20 5 EIBDHN O=[N+]([O-])c1cc(F)ccc1Nc1cccc(CN2CCSCC2)c1 ZINC000078495537 1043652565 /nfs/dbraw/zinc/65/25/65/1043652565.db2.gz RZFSMPHSCBBEQE-UHFFFAOYSA-N 0 3 347.415 4.026 20 5 EIBDHN C[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000154037693 1044720571 /nfs/dbraw/zinc/72/05/71/1044720571.db2.gz YIWHPRVPRJDNMM-QAPCUYQASA-N 0 3 343.427 4.066 20 5 EIBDHN COc1cc2c(cc1F)CC[C@@H]2NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000509434140 1045160171 /nfs/dbraw/zinc/16/01/71/1045160171.db2.gz ZURSDNFYHYGSFF-YXMMZVCTSA-N 0 3 342.370 4.033 20 5 EIBDHN COc1cc2c(cc1F)CC[C@@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000509434017 1045166186 /nfs/dbraw/zinc/16/61/86/1045166186.db2.gz ZURSDNFYHYGSFF-AATOQMJSSA-N 0 3 342.370 4.033 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc([N+](=O)[O-])c1C ZINC000790998302 1045650821 /nfs/dbraw/zinc/65/08/21/1045650821.db2.gz JCTNYSCUEVAWCM-LCYFTJDESA-N 0 3 341.367 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EIBDHN CCN(CC)CC(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001180389670 1050977310 /nfs/dbraw/zinc/97/73/10/1050977310.db2.gz ONLAMZICYFFJBT-UHFFFAOYSA-N 0 3 334.463 4.293 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](c2nc(C)cs2)C1 ZINC001183671486 1051881213 /nfs/dbraw/zinc/88/12/13/1051881213.db2.gz ILLWEKXQEUVUOU-OIQJVACTSA-N 0 3 343.452 4.253 20 5 EIBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000552270766 1053846350 /nfs/dbraw/zinc/84/63/50/1053846350.db2.gz BLIWLHJFPQFXIY-ILZDJORESA-N 0 3 340.423 4.036 20 5 EIBDHN COc1ccc(CN2CCC[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001197342689 1053878362 /nfs/dbraw/zinc/87/83/62/1053878362.db2.gz QQMMDNZFPFUYNT-IBGZPJMESA-N 0 3 326.396 4.115 20 5 EIBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000173340367 1054067929 /nfs/dbraw/zinc/06/79/29/1054067929.db2.gz SWSZOJHSGWDIBG-GUYCJALGSA-N 0 3 342.395 4.168 20 5 EIBDHN C[C@@H](NCCC1CC(OC(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066405 1054375334 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CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000178480479 1025292020 /nfs/dbraw/zinc/29/20/20/1025292020.db2.gz UFSZRIBKFGBKGY-SUMWQHHRSA-N 0 3 342.395 4.168 20 5 EIBDHN CC[C@@H](NCc1ccc(OC)c(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000342158078 1025353111 /nfs/dbraw/zinc/35/31/11/1025353111.db2.gz GFJXIXWDUYCBOT-QGZVFWFLSA-N 0 3 344.411 4.161 20 5 EIBDHN CCOCc1ccccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119552297 1025487414 /nfs/dbraw/zinc/48/74/14/1025487414.db2.gz XNZYLHCGALVKRI-OAHLLOKOSA-N 0 3 328.412 4.291 20 5 EIBDHN CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000519569816 1026373872 /nfs/dbraw/zinc/37/38/72/1026373872.db2.gz WPPIZPLEQADCMG-CQSZACIVSA-N 0 3 326.824 4.028 20 5 EIBDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000478501734 1026571317 /nfs/dbraw/zinc/57/13/17/1026571317.db2.gz RZGKIGJIDLIWPI-GOSISDBHSA-N 0 3 340.423 4.424 20 5 EIBDHN COc1ccc([C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512339357 1026738807 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C[C@@H]1SCC[C@@H]1N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592397123 1037970243 /nfs/dbraw/zinc/97/02/43/1037970243.db2.gz DCSWHYFUWSMWAJ-DOPJRALCSA-N 0 3 328.437 4.168 20 5 EIBDHN CC[C@@H](NCc1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423447958 1038228881 /nfs/dbraw/zinc/22/88/81/1038228881.db2.gz PJRLXLQTPKWNFO-GOSISDBHSA-N 0 3 325.412 4.194 20 5 EIBDHN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000594044962 1038287662 /nfs/dbraw/zinc/28/76/62/1038287662.db2.gz VQDUMSYDDKGEAO-SECBINFHSA-N 0 3 334.313 4.177 20 5 EIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000490056591 1038323817 /nfs/dbraw/zinc/32/38/17/1038323817.db2.gz PXYXSTSUQVJDED-RDJZCZTQSA-N 0 3 325.412 4.232 20 5 EIBDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000481476459 1039485119 /nfs/dbraw/zinc/48/51/19/1039485119.db2.gz ACQYNTBESXTGAL-PXAZEXFGSA-N 0 3 334.803 4.114 20 5 EIBDHN CO[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000514137002 1039662668 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)COC2 ZINC000768337700 1045791783 /nfs/dbraw/zinc/79/17/83/1045791783.db2.gz LEQVHPAJJNOOMF-UHFFFAOYSA-N 0 3 326.396 4.036 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(C(F)F)CC3)o2)c1 ZINC000536678398 1046664971 /nfs/dbraw/zinc/66/49/71/1046664971.db2.gz XCHYASMDCQIEAL-UHFFFAOYSA-N 0 3 336.338 4.332 20 5 EIBDHN C[C@]1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC=CCC1 ZINC000459748786 1046872033 /nfs/dbraw/zinc/87/20/33/1046872033.db2.gz ICHXRJHXNWNRDS-KRWDZBQOSA-N 0 3 329.425 4.307 20 5 EIBDHN Cc1oc2ccccc2c1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752958 1047286834 /nfs/dbraw/zinc/28/68/34/1047286834.db2.gz YFVCHGBJPQYMEL-LLVKDONJSA-N 0 3 325.368 4.082 20 5 EIBDHN CSc1ccccc1[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813379 1047326142 /nfs/dbraw/zinc/32/61/42/1047326142.db2.gz HCFFIRBVLSQHAP-NEPJUHHUSA-N 0 3 331.441 4.311 20 5 EIBDHN C[C@@H](NCc1cccc(-c2cccnc2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617564 1048544719 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C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1c(F)cc(Cl)cc1F ZINC001173214700 1050374146 /nfs/dbraw/zinc/37/41/46/1050374146.db2.gz DZDAQHWIAYMBRW-JTQLQIEISA-N 0 3 340.757 4.247 20 5 EIBDHN Cc1c(CNCc2cc3nc(Cl)ccc3s2)cccc1[N+](=O)[O-] ZINC001178477996 1050479211 /nfs/dbraw/zinc/47/92/11/1050479211.db2.gz NPXJIXZHODJUDH-UHFFFAOYSA-N 0 3 347.827 4.456 20 5 EIBDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001191003913 1051323815 /nfs/dbraw/zinc/32/38/15/1051323815.db2.gz LYGOTAJORWVVNH-GFCCVEGCSA-N 0 3 336.794 4.450 20 5 EIBDHN COc1ccc([C@H](C)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001192390194 1051712218 /nfs/dbraw/zinc/71/22/18/1051712218.db2.gz KYRQYWUDALPCPW-OAHLLOKOSA-N 0 3 340.423 4.372 20 5 EIBDHN Cc1ccc(CNC[C@@H](OC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC001183345147 1051832592 /nfs/dbraw/zinc/83/25/92/1051832592.db2.gz FUXQDUKVOUHRPG-LJQANCHMSA-N 0 3 328.412 4.159 20 5 EIBDHN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCCC1 ZINC001193260234 1051892239 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CC[C@@H](OCCN[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001197506166 1053928429 /nfs/dbraw/zinc/92/84/29/1053928429.db2.gz FOJHRGCLFQKHDL-HNAYVOBHSA-N 0 3 328.412 4.413 20 5 EIBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000173340417 1054068797 /nfs/dbraw/zinc/06/87/97/1054068797.db2.gz SWSZOJHSGWDIBG-CXAGYDPISA-N 0 3 342.395 4.168 20 5 EIBDHN C[C@H](N[C@H]1CCO[C@@H](c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063136 1054372925 /nfs/dbraw/zinc/37/29/25/1054372925.db2.gz SZYDHNNTEAUYKX-DHSIGJKJSA-N 0 3 344.386 4.305 20 5 EIBDHN CN(C/C=C/c1ccc(F)c(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000554865931 1056425560 /nfs/dbraw/zinc/42/55/60/1056425560.db2.gz ZNNOFANEYPUUKV-HWKANZROSA-N 0 3 332.350 4.061 20 5 EIBDHN CCO[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C12CCCC2 ZINC000742390453 1058589481 /nfs/dbraw/zinc/58/94/81/1058589481.db2.gz HKBRBVPNTVVTGA-CVEARBPZSA-N 0 3 338.835 4.076 20 5 EIBDHN CC[C@@H](C)[C@H](C)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000064809285 1019373986 /nfs/dbraw/zinc/37/39/86/1019373986.db2.gz AFOSLQCBALXFQG-OLZOCXBDSA-N 0 3 344.415 4.044 20 5 EIBDHN CCC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000547832024 1020783418 /nfs/dbraw/zinc/78/34/18/1020783418.db2.gz RYSUHDKJUCVQGC-CJNGLKHVSA-N 0 3 344.415 4.093 20 5 EIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccnc2)s1 ZINC000102419156 1022077260 /nfs/dbraw/zinc/07/72/60/1022077260.db2.gz ZUTBRIULWVUINH-UHFFFAOYSA-N 0 3 325.393 4.008 20 5 EIBDHN Cc1ccc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC001167439453 1022716689 /nfs/dbraw/zinc/71/66/89/1022716689.db2.gz XFTTXXBXFQRJJN-LJQANCHMSA-N 0 3 339.439 4.306 20 5 EIBDHN Cc1ccc(CN2CCC[C@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC001167439452 1022717684 /nfs/dbraw/zinc/71/76/84/1022717684.db2.gz XFTTXXBXFQRJJN-IBGZPJMESA-N 0 3 339.439 4.306 20 5 EIBDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177551846 1022973827 /nfs/dbraw/zinc/97/38/27/1022973827.db2.gz FZWOCFFNQUYMSO-XJKSGUPXSA-N 0 3 337.379 4.114 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3c(c1)COC3)CCCC2 ZINC000417313784 1023257876 /nfs/dbraw/zinc/25/78/76/1023257876.db2.gz XFOVAKFDZKWFNB-HXUWFJFHSA-N 0 3 338.407 4.182 20 5 EIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000610738860 1023653353 /nfs/dbraw/zinc/65/33/53/1023653353.db2.gz NXAMMYJVDHSDLU-OAHLLOKOSA-N 0 3 338.407 4.177 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCOc2c(F)cccc21 ZINC000468610923 1023667179 /nfs/dbraw/zinc/66/71/79/1023667179.db2.gz KVXWKLQQYTZSLU-GFBZKKKVSA-N 0 3 342.370 4.251 20 5 EIBDHN CO[C@H](C)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000466887396 1023977168 /nfs/dbraw/zinc/97/71/68/1023977168.db2.gz KAURJXWBMIRFDR-QWHCGFSZSA-N 0 3 348.374 4.039 20 5 EIBDHN CC(C)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610581590 1024112561 /nfs/dbraw/zinc/11/25/61/1024112561.db2.gz ZHSBPKJJOIUCMV-UHFFFAOYSA-N 0 3 339.395 4.394 20 5 EIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000024107798 1025642832 /nfs/dbraw/zinc/64/28/32/1025642832.db2.gz RFUOMHMACUPLRX-INIZCTEOSA-N 0 3 337.782 4.102 20 5 EIBDHN C[C@H](O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000279029918 1025976926 /nfs/dbraw/zinc/97/69/26/1025976926.db2.gz IIEMTKDELXBFRX-ORAYPTAESA-N 0 3 340.423 4.160 20 5 EIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCOc1ccccc1Cl ZINC000511058403 1026015794 /nfs/dbraw/zinc/01/57/94/1026015794.db2.gz RTCFXDDDOILVCI-CYBMUJFWSA-N 0 3 334.803 4.320 20 5 EIBDHN CC1(C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCC[C@H]21 ZINC000550076124 1026016876 /nfs/dbraw/zinc/01/68/76/1026016876.db2.gz KWNOXLWFSJACMW-IAGOWNOFSA-N 0 3 341.411 4.260 20 5 EIBDHN COc1cc(CN([C@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000512241552 1026566343 /nfs/dbraw/zinc/56/63/43/1026566343.db2.gz HCGALVVXPGMYOH-CQSZACIVSA-N 0 3 326.396 4.329 20 5 EIBDHN C[C@H]1C[C@@H](c2cccc(F)c2)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000441323433 1027448431 /nfs/dbraw/zinc/44/84/31/1027448431.db2.gz MZZHQXBTCKIITJ-KSSFIOAISA-N 0 3 344.386 4.196 20 5 EIBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000522558078 1028003174 /nfs/dbraw/zinc/00/31/74/1028003174.db2.gz UMJGRKVCYHQPDB-KRWDZBQOSA-N 0 3 330.815 4.238 20 5 EIBDHN CC1(C)CCCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000446073632 1029133539 /nfs/dbraw/zinc/13/35/39/1029133539.db2.gz PHBWMXLYTGYPQD-UHFFFAOYSA-N 0 3 329.400 4.262 20 5 EIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC(C)(C)C1 ZINC000446074972 1029133963 /nfs/dbraw/zinc/13/39/63/1029133963.db2.gz USSQLKQBMZJAQF-CYBMUJFWSA-N 0 3 344.415 4.218 20 5 EIBDHN CCCOc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000547286408 1030472203 /nfs/dbraw/zinc/47/22/03/1030472203.db2.gz WWDKJBLPZDFNBW-UHFFFAOYSA-N 0 3 328.412 4.409 20 5 EIBDHN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451863602 1030746571 /nfs/dbraw/zinc/74/65/71/1030746571.db2.gz FZWVPQXKROZTCN-KBXCAEBGSA-N 0 3 325.412 4.217 20 5 EIBDHN O=[N+]([O-])c1ccc(CNC2CC(c3ccccc3F)C2)c(Cl)c1 ZINC000545244409 1031459584 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EIBDHN C[C@]1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000595080249 1035591015 /nfs/dbraw/zinc/59/10/15/1035591015.db2.gz PLFJUENTHHFGGX-DLBZAZTESA-N 0 3 332.350 4.319 20 5 EIBDHN COc1cccc(C2(N[C@@H](C)c3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000595093967 1035606323 /nfs/dbraw/zinc/60/63/23/1035606323.db2.gz QNUBDHUBXKSKMS-AWEZNQCLSA-N 0 3 326.396 4.333 20 5 EIBDHN COc1ccccc1C(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000237103860 1035710618 /nfs/dbraw/zinc/71/06/18/1035710618.db2.gz WTUSRBVNELMRIN-CSKARUKUSA-N 0 3 326.396 4.142 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2CCCCO2)CC1 ZINC000595781683 1035791557 /nfs/dbraw/zinc/79/15/57/1035791557.db2.gz FMWQROUOUFQYRJ-HNAYVOBHSA-N 0 3 332.444 4.245 20 5 EIBDHN CC(C)(NCc1cc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000486719046 1036825959 /nfs/dbraw/zinc/82/59/59/1036825959.db2.gz FWBPIOUCWCMRJK-UHFFFAOYSA-N 0 3 327.359 4.240 20 5 EIBDHN CC(C)CC[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486779734 1036850166 /nfs/dbraw/zinc/85/01/66/1036850166.db2.gz NRMCFTWVRXIYDE-HNNXBMFYSA-N 0 3 344.415 4.045 20 5 EIBDHN O=[N+]([O-])c1ccc(CCCCN[C@@H]2CCCc3scnc32)cc1 ZINC000599032614 1036851077 /nfs/dbraw/zinc/85/10/77/1036851077.db2.gz USWHFRZJUOTORP-OAHLLOKOSA-N 0 3 331.441 4.041 20 5 EIBDHN CC(C)CC[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802978 1036863790 /nfs/dbraw/zinc/86/37/90/1036863790.db2.gz PPIZWXKQUCSKNT-HNNXBMFYSA-N 0 3 344.415 4.045 20 5 EIBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000590067876 1036971236 /nfs/dbraw/zinc/97/12/36/1036971236.db2.gz XBNQXMXKMSTELP-CTYIDZIISA-N 0 3 334.778 4.423 20 5 EIBDHN Cc1ccc(CNCc2ccc(OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000604435066 1037390412 /nfs/dbraw/zinc/39/04/12/1037390412.db2.gz YOGSZAJSPHGANI-UHFFFAOYSA-N 0 3 328.412 4.370 20 5 EIBDHN Cc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000604508559 1037421690 /nfs/dbraw/zinc/42/16/90/1037421690.db2.gz KJHRHHAUDOBPEV-MRXNPFEDSA-N 0 3 331.441 4.214 20 5 EIBDHN COc1ccc(CNC2(c3cccc(C)c3)CCC2)cc1[N+](=O)[O-] ZINC000592145816 1037754412 /nfs/dbraw/zinc/75/44/12/1037754412.db2.gz CDDYVKNWNMXPFG-UHFFFAOYSA-N 0 3 326.396 4.081 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H]1OCCc2ccccc21 ZINC000489150033 1037882521 /nfs/dbraw/zinc/88/25/21/1037882521.db2.gz AJPDUKOAJQBGSI-MGPUTAFESA-N 0 3 340.423 4.210 20 5 EIBDHN Cc1csc([C@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249909135 1037892258 /nfs/dbraw/zinc/89/22/58/1037892258.db2.gz VPQOIYZFELTWJW-HIFRSBDPSA-N 0 3 331.441 4.300 20 5 EIBDHN CC(C)c1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000592520035 1038141242 /nfs/dbraw/zinc/14/12/42/1038141242.db2.gz CFYMKWNBKHIJEF-QGZVFWFLSA-N 0 3 325.412 4.103 20 5 EIBDHN COc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)ccc1[N+](=O)[O-] ZINC000489990996 1038307004 /nfs/dbraw/zinc/30/70/04/1038307004.db2.gz TWLIFCSLVSHDCT-LJQANCHMSA-N 0 3 344.386 4.374 20 5 EIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cccc(OCC(F)F)c1 ZINC000594502498 1038348671 /nfs/dbraw/zinc/34/86/71/1038348671.db2.gz JGZGYNQYXDZFMO-MRXNPFEDSA-N 0 3 348.349 4.016 20 5 EIBDHN CCOc1ccc([C@H](C)NCCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000504912085 1038849557 /nfs/dbraw/zinc/84/95/57/1038849557.db2.gz PTJVWQDYUGULJK-HNNXBMFYSA-N 0 3 344.411 4.032 20 5 EIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccccn1 ZINC000504925965 1038857102 /nfs/dbraw/zinc/85/71/02/1038857102.db2.gz GBYMSCRSCWDRLS-ZIAGYGMSSA-N 0 3 331.441 4.211 20 5 EIBDHN CC(C)c1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000537616863 1038910888 /nfs/dbraw/zinc/91/08/88/1038910888.db2.gz YKZJMGVJNGORJL-IBGZPJMESA-N 0 3 332.444 4.111 20 5 EIBDHN O=[N+]([O-])c1ccccc1CNCCc1nc(C2CCCCC2)cs1 ZINC000237935766 1039046129 /nfs/dbraw/zinc/04/61/29/1039046129.db2.gz HEZKXVXEIKOFQX-UHFFFAOYSA-N 0 3 345.468 4.431 20 5 EIBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000505331263 1039229447 /nfs/dbraw/zinc/22/94/47/1039229447.db2.gz PLLGWLXBVXYSKG-UHFFFAOYSA-N 0 3 331.441 4.483 20 5 EIBDHN COc1ccc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000192618506 1039824699 /nfs/dbraw/zinc/82/46/99/1039824699.db2.gz ZBBDPKYAUOBIFM-KZULUSFZSA-N 0 3 344.386 4.471 20 5 EIBDHN C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000479608244 1040507579 /nfs/dbraw/zinc/50/75/79/1040507579.db2.gz WQBFLEYOPSSLJF-SNVBAGLBSA-N 0 3 328.290 4.143 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CCCO)c1ccccc1 ZINC000160789427 1040757313 /nfs/dbraw/zinc/75/73/13/1040757313.db2.gz IGBVJBZIRFEIID-DNVCBOLYSA-N 0 3 328.412 4.068 20 5 EIBDHN CC(C)c1ccc(CN[C@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000462739579 1040885724 /nfs/dbraw/zinc/88/57/24/1040885724.db2.gz OHZDHOVPRVSCJI-MRXNPFEDSA-N 0 3 342.439 4.413 20 5 EIBDHN CC(C)CO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000539927293 1040898869 /nfs/dbraw/zinc/89/88/69/1040898869.db2.gz MNFMFOBSJVICQY-OAHLLOKOSA-N 0 3 344.411 4.102 20 5 EIBDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483644755 1040926975 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EIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCc2c(F)cccc21 ZINC000518795739 1042696656 /nfs/dbraw/zinc/69/66/56/1042696656.db2.gz CLEJTWXLHCPAIR-MSOLQXFVSA-N 0 3 326.371 4.388 20 5 EIBDHN CCOc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000492609400 1042705295 /nfs/dbraw/zinc/70/52/95/1042705295.db2.gz TYBBIQDUILACKJ-HNNXBMFYSA-N 0 3 328.412 4.461 20 5 EIBDHN CC(C)(C)C[C@@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229421 1042851482 /nfs/dbraw/zinc/85/14/82/1042851482.db2.gz NMPCUHMTTCFQMD-RTBURBONSA-N 0 3 342.439 4.071 20 5 EIBDHN CCC(C)(C)[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000441638264 1042948089 /nfs/dbraw/zinc/94/80/89/1042948089.db2.gz WVOKCJFVONCTSZ-OAHLLOKOSA-N 0 3 344.415 4.045 20 5 EIBDHN O=[N+]([O-])c1ccc(CCN2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429214348 1043348756 /nfs/dbraw/zinc/34/87/56/1043348756.db2.gz XLUAVZHMCWVORD-UHFFFAOYSA-N 0 3 345.830 4.065 20 5 EIBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000521502269 1043818040 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AJSJHWMKOOZLFH-JBBXEZCESA-N 0 3 346.814 4.429 20 5 EIBDHN C[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC001191212860 1051386425 /nfs/dbraw/zinc/38/64/25/1051386425.db2.gz DAAMLNLHMNCYKF-CRAIPNDOSA-N 0 3 344.411 4.430 20 5 EIBDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001192745088 1051800748 /nfs/dbraw/zinc/80/07/48/1051800748.db2.gz LNZVDKBIXBLOIU-ACJLOTCBSA-N 0 3 348.830 4.422 20 5 EIBDHN C[C@H](N[C@H]1C[C@H](Oc2ccccc2)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183652845 1051878363 /nfs/dbraw/zinc/87/83/63/1051878363.db2.gz WEGQTCRKEIXZMF-JVPBZIDWSA-N 0 3 340.423 4.492 20 5 EIBDHN CC[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])N1CCCC1 ZINC001184821969 1052112760 /nfs/dbraw/zinc/11/27/60/1052112760.db2.gz ZOMDBNBBIWLXRW-JTQLQIEISA-N 0 3 332.231 4.188 20 5 EIBDHN CCCC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000184888957 1052290835 /nfs/dbraw/zinc/29/08/35/1052290835.db2.gz QNBPDGJNPUJXMF-MRXNPFEDSA-N 0 3 344.415 4.093 20 5 EIBDHN CCN(C[C@@H](O)c1ccc(C)cc1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285654 1053051823 /nfs/dbraw/zinc/05/18/23/1053051823.db2.gz YJKOQLKNTFYXJV-DNVCBOLYSA-N 0 3 328.412 4.020 20 5 EIBDHN Cc1cc(F)ccc1[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195122247 1053278391 /nfs/dbraw/zinc/27/83/91/1053278391.db2.gz FMNCTGWBTGJHTE-IBGZPJMESA-N 0 3 344.386 4.258 20 5 EIBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 ZINC001195765877 1053474784 /nfs/dbraw/zinc/47/47/84/1053474784.db2.gz AEDBPEFLWFHYON-CYBMUJFWSA-N 0 3 330.815 4.410 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000121901479 1053855681 /nfs/dbraw/zinc/85/56/81/1053855681.db2.gz YUBGZGJTXZEFQW-MSOLQXFVSA-N 0 3 344.411 4.056 20 5 EIBDHN C[C@@H](NCc1ccc(F)c2cccnc12)c1ccc([N+](=O)[O-])cc1 ZINC001197646657 1053959803 /nfs/dbraw/zinc/95/98/03/1053959803.db2.gz JBDGOBSRWYHAQJ-GFCCVEGCSA-N 0 3 325.343 4.133 20 5 EIBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)Cc1c(C)noc1C ZINC000872039322 1054354464 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ZINC000172855211 1021858987 /nfs/dbraw/zinc/85/89/87/1021858987.db2.gz FXDZFCBBFVHZQY-GJZGRUSLSA-N 0 3 336.395 4.192 20 5 EIBDHN O=[N+]([O-])c1cccc([C@@H](NCC[C@H]2CCCCO2)c2ccccc2)c1 ZINC000180263301 1022402709 /nfs/dbraw/zinc/40/27/09/1022402709.db2.gz XUQCBABKTUNHTF-UXHICEINSA-N 0 3 340.423 4.233 20 5 EIBDHN O=[N+]([O-])c1cccc([C@H](NCCc2ccccc2O)c2ccccc2)c1 ZINC000180391172 1022603828 /nfs/dbraw/zinc/60/38/28/1022603828.db2.gz YTJMSFKPYAVWLK-OAQYLSRUSA-N 0 3 348.402 4.222 20 5 EIBDHN Cc1ccc2cc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000189375057 1023054844 /nfs/dbraw/zinc/05/48/44/1023054844.db2.gz JCZICKNOTCZFTM-UHFFFAOYSA-N 0 3 335.407 4.476 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(F)cc31)CCC2 ZINC000584523295 1023482889 /nfs/dbraw/zinc/48/28/89/1023482889.db2.gz BENITHBFVDLOKZ-RTBURBONSA-N 0 3 326.371 4.388 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(OC2CCC2)CC1 ZINC000418090591 1023525253 /nfs/dbraw/zinc/52/52/53/1023525253.db2.gz 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CC(C)Oc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511071262 1026120558 /nfs/dbraw/zinc/12/05/58/1026120558.db2.gz BTQCBEQPIAVXFE-UHFFFAOYSA-N 0 3 328.412 4.057 20 5 EIBDHN C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642295 1026971580 /nfs/dbraw/zinc/97/15/80/1026971580.db2.gz FBVWDCRFHBAJAG-JXFKEZNVSA-N 0 3 339.439 4.083 20 5 EIBDHN C[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642335 1026976898 /nfs/dbraw/zinc/97/68/98/1026976898.db2.gz FBVWDCRFHBAJAG-OXJNMPFZSA-N 0 3 339.439 4.083 20 5 EIBDHN COCCOc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178684815 1027472127 /nfs/dbraw/zinc/47/21/27/1027472127.db2.gz FNRCHYIHTBCDAJ-CABCVRRESA-N 0 3 344.411 4.032 20 5 EIBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000268801773 1028274729 /nfs/dbraw/zinc/27/47/29/1028274729.db2.gz KLKRBLBLOZNLDW-CXAGYDPISA-N 0 3 344.411 4.414 20 5 EIBDHN Cc1c(CN2CCC(OCC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000524756458 1029205550 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341.411 4.190 20 5 EIBDHN CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000590150790 1036993220 /nfs/dbraw/zinc/99/32/20/1036993220.db2.gz GNRBPZBRYTUPEJ-ZDUSSCGKSA-N 0 3 337.470 4.093 20 5 EIBDHN O=[N+]([O-])c1cccc(CNCCOc2ccccc2-c2ccccc2)c1 ZINC000604533013 1037427733 /nfs/dbraw/zinc/42/77/33/1037427733.db2.gz QECAHQZWAFMWHF-UHFFFAOYSA-N 0 3 348.402 4.430 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CCC(F)CC3)cs2)c1 ZINC000592376709 1037777203 /nfs/dbraw/zinc/77/72/03/1037777203.db2.gz FMCTUSKXHNMISD-UHFFFAOYSA-N 0 3 349.431 4.336 20 5 EIBDHN COc1cc(CNC2(c3ccc(C)cc3)CCC2)ccc1[N+](=O)[O-] ZINC000592188373 1037780562 /nfs/dbraw/zinc/78/05/62/1037780562.db2.gz OCDYRVAYNQFSNH-UHFFFAOYSA-N 0 3 326.396 4.081 20 5 EIBDHN COc1ccc(CNC2(c3ccccc3C)CCC2)cc1[N+](=O)[O-] ZINC000593038326 1037903745 /nfs/dbraw/zinc/90/37/45/1037903745.db2.gz CDYOJWGIPLABTQ-UHFFFAOYSA-N 0 3 326.396 4.081 20 5 EIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(CC2(F)F)CC1 ZINC000593077230 1037975855 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CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000481476460 1039487078 /nfs/dbraw/zinc/48/70/78/1039487078.db2.gz ACQYNTBESXTGAL-SJCJKPOMSA-N 0 3 334.803 4.114 20 5 EIBDHN CC(F)(F)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000514949096 1040388526 /nfs/dbraw/zinc/38/85/26/1040388526.db2.gz BAUGMWDGXVXHSZ-MRXNPFEDSA-N 0 3 332.350 4.484 20 5 EIBDHN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C1 ZINC000539829045 1040824742 /nfs/dbraw/zinc/82/47/42/1040824742.db2.gz UMLUFCMVHUFPLX-LBPRGKRZSA-N 0 3 331.441 4.339 20 5 EIBDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538406203 1041302106 /nfs/dbraw/zinc/30/21/06/1041302106.db2.gz SQAVKPBECWYAJK-JCGVRSQUSA-N 0 3 332.375 4.161 20 5 EIBDHN COc1cc(CN(C)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000540902171 1041726003 /nfs/dbraw/zinc/72/60/03/1041726003.db2.gz YHAZTHLSSQZVOA-KRWDZBQOSA-N 0 3 326.396 4.113 20 5 EIBDHN CCC[C@H]1[C@H](C)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000464731337 1042135560 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O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCc2c(F)cccc21 ZINC000518795740 1042697219 /nfs/dbraw/zinc/69/72/19/1042697219.db2.gz CLEJTWXLHCPAIR-QZTJIDSGSA-N 0 3 326.371 4.388 20 5 EIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCc2c(F)cccc21 ZINC000518795742 1042697285 /nfs/dbraw/zinc/69/72/85/1042697285.db2.gz CLEJTWXLHCPAIR-ZWKOTPCHSA-N 0 3 326.371 4.388 20 5 EIBDHN CCOc1cc(CN[C@H](C)c2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000492772181 1042746165 /nfs/dbraw/zinc/74/61/65/1042746165.db2.gz NOWMMYLOAXDAFR-OAHLLOKOSA-N 0 3 328.412 4.461 20 5 EIBDHN COc1ccc([C@H](NCc2ccc([N+](=O)[O-])c(OC)c2)C(C)C)cc1 ZINC000493012559 1042791306 /nfs/dbraw/zinc/79/13/06/1042791306.db2.gz ZEHQEGDEKRNRDH-LJQANCHMSA-N 0 3 344.411 4.099 20 5 EIBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CCCC1 ZINC000426532949 1042808309 /nfs/dbraw/zinc/80/83/09/1042808309.db2.gz NBSQNAZTSFQZHT-UHFFFAOYSA-N 0 3 331.441 4.483 20 5 EIBDHN CC[C@@H](N[C@@H](CC)c1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000133792111 1043303750 /nfs/dbraw/zinc/30/37/50/1043303750.db2.gz PQQJTGFXTHVCKP-SJORKVTESA-N 0 3 330.432 4.137 20 5 EIBDHN CC[C@@H](N[C@H]1CCCc2nc(C)sc21)c1cccc([N+](=O)[O-])c1 ZINC000161624856 1043833705 /nfs/dbraw/zinc/83/37/05/1043833705.db2.gz FWNGUKBRJPVZJS-ZBFHGGJFSA-N 0 3 331.441 4.478 20 5 EIBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000173456602 1043974998 /nfs/dbraw/zinc/97/49/98/1043974998.db2.gz CXPPIQXTTVQUFQ-GJZGRUSLSA-N 0 3 336.395 4.192 20 5 EIBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000276933771 1044839811 /nfs/dbraw/zinc/83/98/11/1044839811.db2.gz SPHPGADJAQWYDD-INIZCTEOSA-N 0 3 344.411 4.161 20 5 EIBDHN Cc1nc([C@@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000611335956 1045281370 /nfs/dbraw/zinc/28/13/70/1045281370.db2.gz PKDASOKWLXRRPN-GFCCVEGCSA-N 0 3 333.457 4.342 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ccccn2)CC1 ZINC000611516759 1045320492 /nfs/dbraw/zinc/32/04/92/1045320492.db2.gz SIWZCCADJVGTEJ-HNNXBMFYSA-N 0 3 325.412 4.239 20 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C[C@H]1CN(Cc2c3ccccc3cc3ccccc32)CC[S@@](=O)C1 ZINC000763651431 1051813171 /nfs/dbraw/zinc/81/31/71/1051813171.db2.gz ICGHBXJWXPOZNN-UPCLLVRISA-N 0 3 337.488 4.193 20 5 EIBDHN CCCCO[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001194194371 1052101975 /nfs/dbraw/zinc/10/19/75/1052101975.db2.gz ZQGYFMPEOIXDPX-CVEARBPZSA-N 0 3 340.851 4.322 20 5 EIBDHN Cc1ccc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC001185582066 1052271859 /nfs/dbraw/zinc/27/18/59/1052271859.db2.gz BBCZGTHGZGTSSE-KRWDZBQOSA-N 0 3 333.819 4.271 20 5 EIBDHN CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000090918587 1052783238 /nfs/dbraw/zinc/78/32/38/1052783238.db2.gz WUTQBLLHGPGVDG-GUYCJALGSA-N 0 3 342.395 4.168 20 5 EIBDHN CCN(C[C@@H](O)c1ccc(C)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285656 1053052207 /nfs/dbraw/zinc/05/22/07/1053052207.db2.gz YJKOQLKNTFYXJV-HNAYVOBHSA-N 0 3 328.412 4.020 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001194905783 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CCC[C@H](C)[C@@H]1CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199478 1055204418 /nfs/dbraw/zinc/20/44/18/1055204418.db2.gz AZFIDPDXQGZACE-ZFWWWQNUSA-N 0 3 344.415 4.045 20 5 EIBDHN CC[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC000878373719 1055277022 /nfs/dbraw/zinc/27/70/22/1055277022.db2.gz BIDPONNLBJTGOF-HNNXBMFYSA-N 0 3 344.415 4.093 20 5 EIBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000133916041 1020860087 /nfs/dbraw/zinc/86/00/87/1020860087.db2.gz DEEJAKNQVAPORB-CVEARBPZSA-N 0 3 337.379 4.162 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](CC(F)(F)F)C1 ZINC000581230419 1021838347 /nfs/dbraw/zinc/83/83/47/1021838347.db2.gz DUKCIEYNNVEWNI-WEKMIXOTSA-N 0 3 328.334 4.272 20 5 EIBDHN O=[N+]([O-])c1cccc(CNC[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000581161359 1022860573 /nfs/dbraw/zinc/86/05/73/1022860573.db2.gz WGNAEIKAHJNXKB-HNNXBMFYSA-N 0 3 338.329 4.106 20 5 EIBDHN Cc1c([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000127306159 1023731818 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20 5 EIBDHN CCC[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595088635 1035594163 /nfs/dbraw/zinc/59/41/63/1035594163.db2.gz KNLHOGDIBBZNBM-MOPGFXCFSA-N 0 3 326.396 4.419 20 5 EIBDHN CC[C@H](N[C@H](c1ccccc1)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595094081 1035604018 /nfs/dbraw/zinc/60/40/18/1035604018.db2.gz BVWCDCRFOYJNHT-XUVXKRRUSA-N 0 3 342.439 4.394 20 5 EIBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000595492044 1035688201 /nfs/dbraw/zinc/68/82/01/1035688201.db2.gz ZKRODHADTGDFKF-BJHJDKERSA-N 0 3 334.313 4.287 20 5 EIBDHN CC1(C)C[C@H](N[C@H]2CCc3cc(N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000596650002 1035957235 /nfs/dbraw/zinc/95/72/35/1035957235.db2.gz FLVRLMRQXYPRHZ-OALUTQOASA-N 0 3 337.423 4.177 20 5 EIBDHN Cc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000485708577 1036186207 /nfs/dbraw/zinc/18/62/07/1036186207.db2.gz AYPNHGGURRTYDE-LBPRGKRZSA-N 0 3 327.409 4.364 20 5 EIBDHN CCCCC[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000486779159 1036849775 /nfs/dbraw/zinc/84/97/75/1036849775.db2.gz NIZUMCKIQMKPRX-HNNXBMFYSA-N 0 3 344.415 4.190 20 5 EIBDHN COc1ccc([C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cn1 ZINC000599095925 1036876566 /nfs/dbraw/zinc/87/65/66/1036876566.db2.gz JITORGYYHRSQMR-BFUOFWGJSA-N 0 3 341.411 4.109 20 5 EIBDHN CC[C@H](N[C@H](c1ccc(OC)nc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599096633 1036876718 /nfs/dbraw/zinc/87/67/18/1036876718.db2.gz USFYKYCQYRWAKM-HKUYNNGSSA-N 0 3 341.411 4.190 20 5 EIBDHN CCOc1cc(NC[C@@H](c2ccco2)N(CC)CC)ccc1[N+](=O)[O-] ZINC000486923279 1036891934 /nfs/dbraw/zinc/89/19/34/1036891934.db2.gz YQDOXCGAYWCNBG-INIZCTEOSA-N 0 3 347.415 4.082 20 5 EIBDHN CSc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])N(C)C)cc1 ZINC000590150802 1036994847 /nfs/dbraw/zinc/99/48/47/1036994847.db2.gz IGDHAQPMROXMFQ-AWEZNQCLSA-N 0 3 337.470 4.093 20 5 EIBDHN COc1cccc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603836878 1037021427 /nfs/dbraw/zinc/02/14/27/1037021427.db2.gz 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EIBDHN CC(C)c1ccc(CN(C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183255729 1051038081 /nfs/dbraw/zinc/03/80/81/1051038081.db2.gz VAJPCOOJGDZDMA-CYBMUJFWSA-N 0 3 333.457 4.410 20 5 EIBDHN CC(C)Oc1ccccc1[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001192756967 1051811279 /nfs/dbraw/zinc/81/12/79/1051811279.db2.gz KALOZNBVFODGDO-OAHLLOKOSA-N 0 3 344.411 4.112 20 5 EIBDHN CC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000090918534 1052782797 /nfs/dbraw/zinc/78/27/97/1052782797.db2.gz PQQJTGFXTHVCKP-IRXDYDNUSA-N 0 3 330.432 4.137 20 5 EIBDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001195136565 1053287165 /nfs/dbraw/zinc/28/71/65/1053287165.db2.gz NWPIHYLRMPLQKI-ZIAGYGMSSA-N 0 3 347.242 4.339 20 5 EIBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001195156822 1053307648 /nfs/dbraw/zinc/30/76/48/1053307648.db2.gz ZORVMXAICLARRW-ZWKOTPCHSA-N 0 3 325.412 4.148 20 5 EIBDHN Cc1c(CN2CCC[C@@H]2Cc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC001195256805 1053348888 /nfs/dbraw/zinc/34/88/88/1053348888.db2.gz CQFKONKELBFJCU-QGZVFWFLSA-N 0 3 346.377 4.389 20 5 EIBDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000852783115 1053612694 /nfs/dbraw/zinc/61/26/94/1053612694.db2.gz WUDXLXHANDNZPP-KGLIPLIRSA-N 0 3 326.396 4.332 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000121901189 1053855341 /nfs/dbraw/zinc/85/53/41/1053855341.db2.gz YUBGZGJTXZEFQW-ROUUACIJSA-N 0 3 344.411 4.056 20 5 EIBDHN COc1cc(C)c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173322223 1054023471 /nfs/dbraw/zinc/02/34/71/1054023471.db2.gz ZYIOWKYYVSYCKD-KGLIPLIRSA-N 0 3 344.411 4.332 20 5 EIBDHN C[C@]1(Cc2cccs2)CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001198300401 1054120111 /nfs/dbraw/zinc/12/01/11/1054120111.db2.gz NBLBMTALGRITMO-QGZVFWFLSA-N 0 3 334.416 4.393 20 5 EIBDHN CN(C)c1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000775881186 1054202230 /nfs/dbraw/zinc/20/22/30/1054202230.db2.gz PDLCGUORULEVEY-UHFFFAOYSA-N 0 3 339.439 4.040 20 5 EIBDHN C[C@H](N[C@H]1CCOC2(CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049639 1054361200 /nfs/dbraw/zinc/36/12/00/1054361200.db2.gz UMBQRISCAQSVQY-KBPBESRZSA-N 0 3 336.407 4.266 20 5 EIBDHN CC[C@H](C)[C@@H](C)N(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878057914 1055181797 /nfs/dbraw/zinc/18/17/97/1055181797.db2.gz RDQKAGGDKYZORV-QWHCGFSZSA-N 0 3 344.415 4.044 20 5 EIBDHN COc1ccccc1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000542701151 1055843033 /nfs/dbraw/zinc/84/30/33/1055843033.db2.gz ZNRGLAAJIHZRFG-GOSISDBHSA-N 0 3 326.396 4.249 20 5 EIBDHN Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765844884 1055845845 /nfs/dbraw/zinc/84/58/45/1055845845.db2.gz KFCPGCIWMFEKMJ-DYVFJYSZSA-N 0 3 340.379 4.034 20 5 EIBDHN CC[C@H](C)[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533289466 1032604291 /nfs/dbraw/zinc/60/42/91/1032604291.db2.gz LOZVYPZBSQJYEB-BBRMVZONSA-N 0 3 344.415 4.045 20 5 EIBDHN COc1ccc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610216033 1019387470 /nfs/dbraw/zinc/38/74/70/1019387470.db2.gz DVUGPMRKZXBFST-YJBOKZPZSA-N 0 3 340.423 4.229 20 5 EIBDHN CC[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000246994350 1020322285 /nfs/dbraw/zinc/32/22/85/1020322285.db2.gz GIUUGRTTXMDZKM-ZIAGYGMSSA-N 0 3 344.415 4.218 20 5 EIBDHN CN1CCC[C@H](CNc2ccsc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000610281327 1020966173 /nfs/dbraw/zinc/96/61/73/1020966173.db2.gz MWHWVYQXOJYLIN-RISCZKNCSA-N 0 3 337.470 4.213 20 5 EIBDHN CCCN(CCc1cccc(F)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167367320 1021756861 /nfs/dbraw/zinc/75/68/61/1021756861.db2.gz HOKLWBGFGIKUGG-UHFFFAOYSA-N 0 3 334.366 4.328 20 5 EIBDHN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000549037501 1022202312 /nfs/dbraw/zinc/20/23/12/1022202312.db2.gz HHJZUZDCGBSARR-KZULUSFZSA-N 0 3 344.386 4.389 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000177791253 1022210639 /nfs/dbraw/zinc/21/06/39/1022210639.db2.gz RXHIZTSHMUYHQM-QWHCGFSZSA-N 0 3 328.368 4.044 20 5 EIBDHN COc1ccc([C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000120194235 1022455997 /nfs/dbraw/zinc/45/59/97/1022455997.db2.gz FKXHFIPGLJEIGH-ORAYPTAESA-N 0 3 326.396 4.405 20 5 EIBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000148961277 1022577041 /nfs/dbraw/zinc/57/70/41/1022577041.db2.gz PKNHZTVYODSAFJ-GFCCVEGCSA-N 0 3 349.228 4.251 20 5 EIBDHN CC(C)(C)c1ccncc1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414500479 1023251405 /nfs/dbraw/zinc/25/14/05/1023251405.db2.gz QHUIMBWSELAAHK-VURMDHGXSA-N 0 3 325.412 4.090 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCOc2c(F)cccc21 ZINC000468610924 1023667307 /nfs/dbraw/zinc/66/73/07/1023667307.db2.gz KVXWKLQQYTZSLU-HGZMWJMZSA-N 0 3 342.370 4.251 20 5 EIBDHN COc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000104696809 1024470230 /nfs/dbraw/zinc/47/02/30/1024470230.db2.gz ZSOULBGHBIRIOZ-IBGZPJMESA-N 0 3 326.396 4.234 20 5 EIBDHN C[C@@H](NCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000048817961 1024734762 /nfs/dbraw/zinc/73/47/62/1024734762.db2.gz CHQOMFVNJUUSLZ-LLVKDONJSA-N 0 3 335.201 4.208 20 5 EIBDHN CO[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000610783471 1024848301 /nfs/dbraw/zinc/84/83/01/1024848301.db2.gz XQRFNNJTNLNFIL-PXAZEXFGSA-N 0 3 334.803 4.287 20 5 EIBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762634 1025284404 /nfs/dbraw/zinc/28/44/04/1025284404.db2.gz UHBWOXCVUVEKMY-QWHCGFSZSA-N 0 3 328.368 4.044 20 5 EIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000122016010 1025348152 /nfs/dbraw/zinc/34/81/52/1025348152.db2.gz SLXVGEBGBDRBKU-ZIAGYGMSSA-N 0 3 342.395 4.086 20 5 EIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000024107801 1025640134 /nfs/dbraw/zinc/64/01/34/1025640134.db2.gz RFUOMHMACUPLRX-MRXNPFEDSA-N 0 3 337.782 4.102 20 5 EIBDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000507142205 1026659964 /nfs/dbraw/zinc/65/99/64/1026659964.db2.gz IYHSVUUBOHSXSQ-IBGZPJMESA-N 0 3 326.396 4.113 20 5 EIBDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000507142206 1026660341 /nfs/dbraw/zinc/66/03/41/1026660341.db2.gz IYHSVUUBOHSXSQ-LJQANCHMSA-N 0 3 326.396 4.113 20 5 EIBDHN COc1ccc([C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512339358 1026740309 /nfs/dbraw/zinc/74/03/09/1026740309.db2.gz UMSLFHLANMFLBP-MJICGBHWSA-N 0 3 338.407 4.106 20 5 EIBDHN C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000479618579 1026852129 /nfs/dbraw/zinc/85/21/29/1026852129.db2.gz XLLVMNGCVNAKNH-JTQLQIEISA-N 0 3 328.290 4.143 20 5 EIBDHN CC[C@@H](N[C@@H]1CCCc2nc(C)sc21)c1cccc([N+](=O)[O-])c1 ZINC000161624714 1027649150 /nfs/dbraw/zinc/64/91/50/1027649150.db2.gz FWNGUKBRJPVZJS-GDBMZVCRSA-N 0 3 331.441 4.478 20 5 EIBDHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444675374 1027958702 /nfs/dbraw/zinc/95/87/02/1027958702.db2.gz LWGOMLJRJCYQEH-CJNGLKHVSA-N 0 3 344.415 4.045 20 5 EIBDHN C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000034994311 1029150021 /nfs/dbraw/zinc/15/00/21/1029150021.db2.gz RCBYMUHQCHIFNE-LLVKDONJSA-N 0 3 335.201 4.208 20 5 EIBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ccsc1Cl ZINC000480311241 1029829906 /nfs/dbraw/zinc/82/99/06/1029829906.db2.gz ZVORIPWOVYDSPM-UHFFFAOYSA-N 0 3 331.224 4.295 20 5 EIBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](CSc2ccccc2)C1 ZINC000525779412 1030013839 /nfs/dbraw/zinc/01/38/39/1030013839.db2.gz HWLJIKJCLODYAR-OAHLLOKOSA-N 0 3 328.437 4.209 20 5 EIBDHN CCOc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544787 1030147620 /nfs/dbraw/zinc/14/76/20/1030147620.db2.gz WGMXBPWSRLDXEI-IBGZPJMESA-N 0 3 326.396 4.161 20 5 EIBDHN CC(C)OCc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532476196 1031185377 /nfs/dbraw/zinc/18/53/77/1031185377.db2.gz LDFCNWVRIPQGLQ-HNNXBMFYSA-N 0 3 328.412 4.371 20 5 EIBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)Cc1ccsc1 ZINC000614604119 1031270163 /nfs/dbraw/zinc/27/01/63/1031270163.db2.gz VHAQNZMQTYCBBA-GFCCVEGCSA-N 0 3 345.424 4.251 20 5 EIBDHN Cc1cnc([C@@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000449174529 1031494207 /nfs/dbraw/zinc/49/42/07/1031494207.db2.gz YVBGJUPAYWYGGL-BZNIZROVSA-N 0 3 331.441 4.032 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@H](c2ccccc2)C1 ZINC000612577464 1031672430 /nfs/dbraw/zinc/67/24/30/1031672430.db2.gz SDQSDZFXGMVKQJ-SFHVURJKSA-N 0 3 328.437 4.193 20 5 EIBDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738312441 1034811637 /nfs/dbraw/zinc/81/16/37/1034811637.db2.gz OKNJWKLHEWEJSU-GJZGRUSLSA-N 0 3 328.387 4.420 20 5 EIBDHN CC[C@@H](COC)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237007753 1035327308 /nfs/dbraw/zinc/32/73/08/1035327308.db2.gz BCHPMCRIJZWSAG-HNNXBMFYSA-N 0 3 348.374 4.041 20 5 EIBDHN CCCn1nccc1C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000501561418 1035467576 /nfs/dbraw/zinc/46/75/76/1035467576.db2.gz LYPMBSGHMGZTHE-OAHLLOKOSA-N 0 3 342.443 4.142 20 5 EIBDHN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)cc1 ZINC000574890080 1035574790 /nfs/dbraw/zinc/57/47/90/1035574790.db2.gz MXPHSMNPKFYMDC-ROUUACIJSA-N 0 3 326.396 4.332 20 5 EIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000026720078 1035780508 /nfs/dbraw/zinc/78/05/08/1035780508.db2.gz SGEULDAPQZTFEO-CQSZACIVSA-N 0 3 325.821 4.025 20 5 EIBDHN COc1cc(CN[C@H](c2ccc(F)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000502534996 1036308897 /nfs/dbraw/zinc/30/88/97/1036308897.db2.gz FISVPKYHCYLLFS-SFHVURJKSA-N 0 3 332.375 4.229 20 5 EIBDHN CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000761254301 1036455919 /nfs/dbraw/zinc/45/59/19/1036455919.db2.gz UIWFOQOKKYLXLC-GOSISDBHSA-N 0 3 348.830 4.112 20 5 EIBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccc(C(F)F)nc3)C2)cc1 ZINC000602686486 1036562734 /nfs/dbraw/zinc/56/27/34/1036562734.db2.gz VXHLIIVNFFNVCY-HNNXBMFYSA-N 0 3 347.365 4.307 20 5 EIBDHN CCC[C@H](C)[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486780495 1036851545 /nfs/dbraw/zinc/85/15/45/1036851545.db2.gz VMPZCYFKJDFLQR-BBRMVZONSA-N 0 3 344.415 4.045 20 5 EIBDHN CCOc1cc(NC[C@H](c2ccco2)N(CC)CC)ccc1[N+](=O)[O-] ZINC000486923280 1036892083 /nfs/dbraw/zinc/89/20/83/1036892083.db2.gz YQDOXCGAYWCNBG-MRXNPFEDSA-N 0 3 347.415 4.082 20 5 EIBDHN CSc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])N(C)C)cc1 ZINC000590150886 1036992905 /nfs/dbraw/zinc/99/29/05/1036992905.db2.gz QZZQICVMZCZRAH-CQSZACIVSA-N 0 3 337.470 4.093 20 5 EIBDHN COc1cc(CNC2(c3cccc(C)c3)CCC2)ccc1[N+](=O)[O-] ZINC000592145837 1037739501 /nfs/dbraw/zinc/73/95/01/1037739501.db2.gz DSZWDOSLUOYZFQ-UHFFFAOYSA-N 0 3 326.396 4.081 20 5 EIBDHN CC[C@@H](NCc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423414943 1038222786 /nfs/dbraw/zinc/22/27/86/1038222786.db2.gz OFWAYTIJIWRRIO-GOSISDBHSA-N 0 3 325.412 4.194 20 5 EIBDHN COc1cc(CNC2(c3cccc(C)c3)CCCC2)ccc1[N+](=O)[O-] ZINC000489986515 1038308205 /nfs/dbraw/zinc/30/82/05/1038308205.db2.gz DYGYZMBJFRXGGP-UHFFFAOYSA-N 0 3 340.423 4.471 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCOCc1ccccc1 ZINC000490028234 1038309347 /nfs/dbraw/zinc/30/93/47/1038309347.db2.gz GKWLXFNSCVMEHR-INIZCTEOSA-N 0 3 328.412 4.113 20 5 EIBDHN CC(C)(C)OCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594975217 1038485596 /nfs/dbraw/zinc/48/55/96/1038485596.db2.gz NCMHAEUZVCUBEG-UHFFFAOYSA-N 0 3 349.456 4.013 20 5 EIBDHN CCOc1ccc([C@H](C)NCc2ccccc2CC)cc1[N+](=O)[O-] ZINC000504895247 1038841469 /nfs/dbraw/zinc/84/14/69/1038841469.db2.gz RXOKJGXDNCPGFF-AWEZNQCLSA-N 0 3 328.412 4.407 20 5 EIBDHN CCOc1ccc([C@@H](C)NCCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000504912086 1038849885 /nfs/dbraw/zinc/84/98/85/1038849885.db2.gz PTJVWQDYUGULJK-OAHLLOKOSA-N 0 3 344.411 4.032 20 5 EIBDHN Cc1ccccc1CN1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000064029631 1038950635 /nfs/dbraw/zinc/95/06/35/1038950635.db2.gz CZPIGXKKCIHFLN-UHFFFAOYSA-N 0 3 331.441 4.041 20 5 EIBDHN Cc1nc(C(C)C)ccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000555523669 1039336228 /nfs/dbraw/zinc/33/62/28/1039336228.db2.gz VARXVSJVVYNHMH-UHFFFAOYSA-N 0 3 327.428 4.096 20 5 EIBDHN COCc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000192882013 1039829286 /nfs/dbraw/zinc/82/92/86/1039829286.db2.gz WEZSPOWBSBVEIE-LJQANCHMSA-N 0 3 344.386 4.048 20 5 EIBDHN C[C@]12CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]1C2(F)F ZINC000430104260 1039837048 /nfs/dbraw/zinc/83/70/48/1039837048.db2.gz LTYMPDVCQPUQTP-SJORKVTESA-N 0 3 348.349 4.332 20 5 EIBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000551006791 1039868576 /nfs/dbraw/zinc/86/85/76/1039868576.db2.gz WSWBBHQXRZEPEE-FZKQIMNGSA-N 0 3 342.395 4.183 20 5 EIBDHN COc1ccc(CN[C@H]2c3ccccc3CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000462542520 1040718397 /nfs/dbraw/zinc/71/83/97/1040718397.db2.gz MVHUKJGJTJQHPH-VBKZILBWSA-N 0 3 340.423 4.407 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN(CC3CC3)C3CCC3)co2)cc1 ZINC000483316333 1040816377 /nfs/dbraw/zinc/81/63/77/1040816377.db2.gz SZJRSHGBRKTUOO-UHFFFAOYSA-N 0 3 327.384 4.014 20 5 EIBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)Sc1ccccc1 ZINC000462740967 1040887410 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4.381 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1cccc(N(C)C)c1 ZINC000492825148 1042754821 /nfs/dbraw/zinc/75/48/21/1042754821.db2.gz BWASSXPPBCAGNF-HNNXBMFYSA-N 0 3 327.428 4.162 20 5 EIBDHN CCOc1cc(CN[C@@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000493540449 1042931650 /nfs/dbraw/zinc/93/16/50/1042931650.db2.gz AKEIGHOAXFOIOB-LBPRGKRZSA-N 0 3 334.338 4.060 20 5 EIBDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611554143 1043047107 /nfs/dbraw/zinc/04/71/07/1043047107.db2.gz GDKVGHJYGUSMTG-CHWSQXEVSA-N 0 3 346.349 4.027 20 5 EIBDHN CCCCN(CCCC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078647912 1043712638 /nfs/dbraw/zinc/71/26/38/1043712638.db2.gz KWOWMEZLDYTYPU-UHFFFAOYSA-N 0 3 332.404 4.047 20 5 EIBDHN COCCC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000442857591 1043876636 /nfs/dbraw/zinc/87/66/36/1043876636.db2.gz PYYKJGXMLZSHOK-SFHVURJKSA-N 0 3 346.402 4.300 20 5 EIBDHN COc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000173449375 1043970995 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EIBDHN COCc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000536656443 1046602613 /nfs/dbraw/zinc/60/26/13/1046602613.db2.gz YOIACHQPLUIVDM-UHFFFAOYSA-N 0 3 328.412 4.152 20 5 EIBDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672705 1046987397 /nfs/dbraw/zinc/98/73/97/1046987397.db2.gz HFDJHDXENSISPR-UONOGXRCSA-N 0 3 328.865 4.354 20 5 EIBDHN O=[N+]([O-])c1ccc(CN(CCc2cccc(F)c2)C2CC2)cc1F ZINC000788481105 1047199155 /nfs/dbraw/zinc/19/91/55/1047199155.db2.gz QGWPCBOWGMJJNO-UHFFFAOYSA-N 0 3 332.350 4.080 20 5 EIBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481039 1047199465 /nfs/dbraw/zinc/19/94/65/1047199465.db2.gz OZRFBGAUOQMYPC-IUODEOHRSA-N 0 3 332.350 4.251 20 5 EIBDHN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788525924 1047226472 /nfs/dbraw/zinc/22/64/72/1047226472.db2.gz GTHMPSAUBICWIL-KGLIPLIRSA-N 0 3 343.427 4.376 20 5 EIBDHN CC(C)COc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788565941 1047233225 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CC(C)[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811486764 1049082531 /nfs/dbraw/zinc/08/25/31/1049082531.db2.gz QAQOLSVLYZPXPN-GXTWGEPZSA-N 0 3 347.242 4.195 20 5 EIBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1Cc2ccccc2C1 ZINC000811489329 1049085284 /nfs/dbraw/zinc/08/52/84/1049085284.db2.gz ATGXCZCHBRYCHM-UHFFFAOYSA-N 0 3 337.206 4.159 20 5 EIBDHN CC(C)(C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000609706149 1049279926 /nfs/dbraw/zinc/27/99/26/1049279926.db2.gz GRPOYJPVBGLUMQ-INIZCTEOSA-N 0 3 348.443 4.110 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@H](CF)c1ccccc1)CC2 ZINC001172911211 1050246814 /nfs/dbraw/zinc/24/68/14/1050246814.db2.gz HNVLVPABJPUIQX-IEBWSBKVSA-N 0 3 328.387 4.143 20 5 EIBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)c1ccccc1 ZINC000181785319 1050332572 /nfs/dbraw/zinc/33/25/72/1050332572.db2.gz WWKKDEPTIIGXRL-CYBMUJFWSA-N 0 3 339.395 4.192 20 5 EIBDHN COc1cccc(F)c1[C@H](C)N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219568 1050352130 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4.196 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](OC2CCC2)C1 ZINC001182633988 1051654450 /nfs/dbraw/zinc/65/44/50/1051654450.db2.gz HGBBIQFLFMVFJR-LSSBLYJVSA-N 0 3 330.428 4.032 20 5 EIBDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001192745089 1051801680 /nfs/dbraw/zinc/80/16/80/1051801680.db2.gz LNZVDKBIXBLOIU-FZKQIMNGSA-N 0 3 348.830 4.422 20 5 EIBDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001193932528 1052024957 /nfs/dbraw/zinc/02/49/57/1052024957.db2.gz PSXUOMQHMSMSTI-RHSMWYFYSA-N 0 3 328.387 4.420 20 5 EIBDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001194106804 1052073782 /nfs/dbraw/zinc/07/37/82/1052073782.db2.gz BPJITKVDMUHTOU-GOSISDBHSA-N 0 3 328.412 4.495 20 5 EIBDHN CN(C/C=C/c1ccc(Cl)cc1)CCc1ccccc1[N+](=O)[O-] ZINC001194263281 1052121711 /nfs/dbraw/zinc/12/17/11/1052121711.db2.gz WOCCTZUZSOGYKB-SNAWJCMRSA-N 0 3 330.815 4.436 20 5 EIBDHN CC[C@H](N[C@H]1CCc2c1cccc2OC)c1cccc([N+](=O)[O-])c1 ZINC000090918660 1052783224 /nfs/dbraw/zinc/78/32/24/1052783224.db2.gz ODBJBPMAMZMHEH-ROUUACIJSA-N 0 3 326.396 4.332 20 5 EIBDHN CCN(C[C@H](O)c1ccc(C)cc1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285652 1053052118 /nfs/dbraw/zinc/05/21/18/1053052118.db2.gz YJKOQLKNTFYXJV-BEFAXECRSA-N 0 3 328.412 4.020 20 5 EIBDHN C[C@H](NC[C@@H](O)c1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000120075788 1053281129 /nfs/dbraw/zinc/28/11/29/1053281129.db2.gz DDCUXIPHOFXNAH-BLLLJJGKSA-N 0 3 342.420 4.194 20 5 EIBDHN C[C@@H](NC[C@H](O)c1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000120075624 1053281232 /nfs/dbraw/zinc/28/12/32/1053281232.db2.gz DDCUXIPHOFXNAH-WBMJQRKESA-N 0 3 342.420 4.194 20 5 EIBDHN CC[C@@H]1CCC[C@H](C)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001196330072 1053640375 /nfs/dbraw/zinc/64/03/75/1053640375.db2.gz SPVXECBLAMKYPT-XJKSGUPXSA-N 0 3 329.400 4.403 20 5 EIBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000853243185 1053660157 /nfs/dbraw/zinc/66/01/57/1053660157.db2.gz 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CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCCCC1 ZINC000878019799 1055176474 /nfs/dbraw/zinc/17/64/74/1055176474.db2.gz GWWTYZMXBOPKAY-UHFFFAOYSA-N 0 3 344.415 4.190 20 5 EIBDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199476 1055203907 /nfs/dbraw/zinc/20/39/07/1055203907.db2.gz AZFIDPDXQGZACE-HIFRSBDPSA-N 0 3 344.415 4.045 20 5 EIBDHN CCCC[C@@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000878410420 1055296988 /nfs/dbraw/zinc/29/69/88/1055296988.db2.gz ZXGRPMHXWFQBPW-OAHLLOKOSA-N 0 3 344.415 4.093 20 5 EIBDHN Cc1cc2cc3cc(C)c(Nc4ccc(CO)nc4)cc3nc2cc1N ZINC001212388209 1055338393 /nfs/dbraw/zinc/33/83/93/1055338393.db2.gz YMJAAOFWMLJDRT-UHFFFAOYSA-N 0 3 344.418 4.218 20 5 EIBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000338707814 1056421974 /nfs/dbraw/zinc/42/19/74/1056421974.db2.gz LQOFBTWILXBHSZ-ZNNBYXKUSA-N 0 3 342.370 4.251 20 5 EIBDHN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC000742390433 1058590332 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EIBDHN CCC[C@@H](NCc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120196352 1022458665 /nfs/dbraw/zinc/45/86/65/1022458665.db2.gz LGHJANTVEJUJQR-LJQANCHMSA-N 0 3 341.411 4.184 20 5 EIBDHN O=[N+]([O-])c1cccc(CN(CCc2c(F)cccc2F)C2CC2)c1 ZINC001167734190 1022617986 /nfs/dbraw/zinc/61/79/86/1022617986.db2.gz KKHFQUHEYKKCLS-UHFFFAOYSA-N 0 3 332.350 4.080 20 5 EIBDHN COCc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417320608 1023262057 /nfs/dbraw/zinc/26/20/57/1023262057.db2.gz KCHLQVZWCOFION-FQEVSTJZSA-N 0 3 340.423 4.299 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC[C@H](F)C3)cs2)c1 ZINC000581488766 1023302129 /nfs/dbraw/zinc/30/21/29/1023302129.db2.gz XOFJFOVEUHPPKI-STQMWFEESA-N 0 3 335.404 4.089 20 5 EIBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133693 1023467119 /nfs/dbraw/zinc/46/71/19/1023467119.db2.gz CBVIPPNTAUSFOJ-AZUAARDMSA-N 0 3 340.423 4.195 20 5 EIBDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000510959896 1024866109 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1041561493 /nfs/dbraw/zinc/56/14/93/1041561493.db2.gz GCRYXZFSTSADSS-VFVRVIDISA-N 0 3 332.375 4.161 20 5 EIBDHN CCCC[C@H]1CCC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460351952 1041815960 /nfs/dbraw/zinc/81/59/60/1041815960.db2.gz BLPSPJRPXZPCAK-XJKSGUPXSA-N 0 3 344.415 4.093 20 5 EIBDHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000464859005 1042202626 /nfs/dbraw/zinc/20/26/26/1042202626.db2.gz PPFNLQCISKCAQE-YOEHRIQHSA-N 0 3 330.384 4.040 20 5 EIBDHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000464859004 1042202904 /nfs/dbraw/zinc/20/29/04/1042202904.db2.gz PPFNLQCISKCAQE-WMLDXEAASA-N 0 3 330.384 4.040 20 5 EIBDHN Cc1c([C@H](C)N[C@H](C)[C@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000426355197 1042590434 /nfs/dbraw/zinc/59/04/34/1042590434.db2.gz YOOSHYSHFIBKQR-VEVIJQCQSA-N 0 3 346.452 4.318 20 5 EIBDHN CCCC[C@@H]1CCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704396 1042884213 /nfs/dbraw/zinc/88/42/13/1042884213.db2.gz JFMRTVBWARUUFB-CJNGLKHVSA-N 0 3 344.415 4.093 20 5 EIBDHN CCC(C)(C)[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441652668 1042957682 /nfs/dbraw/zinc/95/76/82/1042957682.db2.gz BGQISMBDVWYRQW-OAHLLOKOSA-N 0 3 344.415 4.045 20 5 EIBDHN O=[N+]([O-])c1ccc(Nc2cccc(CN3CCSCC3)c2)c(F)c1 ZINC000078495522 1043651275 /nfs/dbraw/zinc/65/12/75/1043651275.db2.gz UIMZTQXIVAEWPS-UHFFFAOYSA-N 0 3 347.415 4.026 20 5 EIBDHN COCC(C)(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000066995955 1043842090 /nfs/dbraw/zinc/84/20/90/1043842090.db2.gz PHTAWZJRXPTGFR-UHFFFAOYSA-N 0 3 338.791 4.023 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2nccs2)C1 ZINC000245536682 1043969748 /nfs/dbraw/zinc/96/97/48/1043969748.db2.gz XRCMJIABLYPHHC-UONOGXRCSA-N 0 3 331.441 4.300 20 5 EIBDHN CC(C)(C)[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000543247893 1044236830 /nfs/dbraw/zinc/23/68/30/1044236830.db2.gz ZBBBNNHVMVEGEX-AWEZNQCLSA-N 0 3 329.400 4.118 20 5 EIBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000042295640 1044310510 /nfs/dbraw/zinc/31/05/10/1044310510.db2.gz RBSWUZUDJIJNOW-LLVKDONJSA-N 0 3 335.201 4.208 20 5 EIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000246485224 1044318054 /nfs/dbraw/zinc/31/80/54/1044318054.db2.gz AHOHHBNAHXWVSK-RDBSUJKOSA-N 0 3 344.415 4.074 20 5 EIBDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000474075022 1044358168 /nfs/dbraw/zinc/35/81/68/1044358168.db2.gz UHSLMGIMNVSSOM-GOSISDBHSA-N 0 3 326.396 4.116 20 5 EIBDHN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCC(F)(F)C2)c2ccccc2)c1 ZINC000611521622 1045319754 /nfs/dbraw/zinc/31/97/54/1045319754.db2.gz JTQZXFLEJLCMRB-NVXWUHKLSA-N 0 3 332.350 4.462 20 5 EIBDHN COCc1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000193902360 1045539527 /nfs/dbraw/zinc/53/95/27/1045539527.db2.gz AMGQNHSCFJOKEM-ZIAGYGMSSA-N 0 3 344.411 4.162 20 5 EIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000609233597 1045697025 /nfs/dbraw/zinc/69/70/25/1045697025.db2.gz GSPJKJVQTHZASV-BEFAXECRSA-N 0 3 326.396 4.119 20 5 EIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000609233602 1045697485 /nfs/dbraw/zinc/69/74/85/1045697485.db2.gz GSPJKJVQTHZASV-KXBFYZLASA-N 0 3 326.396 4.119 20 5 EIBDHN COc1ccc(CN[C@@H](c2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC001168518637 1046310592 /nfs/dbraw/zinc/31/05/92/1046310592.db2.gz FMHQXOMRTOHOKK-LJQANCHMSA-N 0 3 326.396 4.153 20 5 EIBDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672704 1046985824 /nfs/dbraw/zinc/98/58/24/1046985824.db2.gz HFDJHDXENSISPR-KGLIPLIRSA-N 0 3 328.865 4.354 20 5 EIBDHN CSC[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537319196 1047106333 /nfs/dbraw/zinc/10/63/33/1047106333.db2.gz VVYYFFYKIMAMQT-SNVBAGLBSA-N 0 3 340.832 4.349 20 5 EIBDHN C[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643945 1047245396 /nfs/dbraw/zinc/24/53/96/1047245396.db2.gz QZGZLIVQFBTLHW-QFYYESIMSA-N 0 3 331.803 4.169 20 5 EIBDHN CSc1ccc([C@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788814892 1047317230 /nfs/dbraw/zinc/31/72/30/1047317230.db2.gz NOUCEFHQTYLCPR-NWDGAFQWSA-N 0 3 331.441 4.311 20 5 EIBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)c1nc2ccccc2s1 ZINC000089512108 1047773532 /nfs/dbraw/zinc/77/35/32/1047773532.db2.gz XIWGKOVVINFFRS-QWHCGFSZSA-N 0 3 341.436 4.486 20 5 EIBDHN C[C@H](NCc1cccc(-c2cccnc2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617563 1048544964 /nfs/dbraw/zinc/54/49/64/1048544964.db2.gz PZFTWLKYIODUED-AWEZNQCLSA-N 0 3 348.406 4.090 20 5 EIBDHN CCSc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815628727 1048553769 /nfs/dbraw/zinc/55/37/69/1048553769.db2.gz IHIJPEAFDLCZEQ-GFCCVEGCSA-N 0 3 331.441 4.140 20 5 EIBDHN C[C@H](NC1(c2ccc(F)cc2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604644 1048558177 /nfs/dbraw/zinc/55/81/77/1048558177.db2.gz WFIFRVTYALIDCE-LBPRGKRZSA-N 0 3 329.375 4.046 20 5 EIBDHN C[C@H](CO)N(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000809984781 1048589759 /nfs/dbraw/zinc/58/97/59/1048589759.db2.gz ZFDQPUGMPSTFFR-SNVBAGLBSA-N 0 3 347.242 4.027 20 5 EIBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000772949344 1048886962 /nfs/dbraw/zinc/88/69/62/1048886962.db2.gz AIWBAUVYENCTBU-SFHVURJKSA-N 0 3 326.396 4.161 20 5 EIBDHN CC(C)C[C@H](CCO)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481989 1049077507 /nfs/dbraw/zinc/07/75/07/1049077507.db2.gz DADXSRZHQVKZNW-NSHDSACASA-N 0 3 349.258 4.036 20 5 EIBDHN CO[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC000811482924 1049080461 /nfs/dbraw/zinc/08/04/61/1049080461.db2.gz XJHJJLVBJNZUCV-GFCCVEGCSA-N 0 3 335.231 4.052 20 5 EIBDHN CCC1(O)CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811487368 1049083177 /nfs/dbraw/zinc/08/31/77/1049083177.db2.gz VTJMIMMVHOAFPY-UHFFFAOYSA-N 0 3 347.242 4.075 20 5 EIBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCc1cccs1 ZINC000811471621 1049093593 /nfs/dbraw/zinc/09/35/93/1049093593.db2.gz HBHVUNCLXOCSCB-UHFFFAOYSA-N 0 3 331.224 4.295 20 5 EIBDHN CC(C)(NC[C@H]1[C@H](c2ccccc2)C1(F)F)c1ccccc1[N+](=O)[O-] ZINC001170651150 1049338675 /nfs/dbraw/zinc/33/86/75/1049338675.db2.gz SYKKLWCYZIKKMG-RDJZCZTQSA-N 0 3 346.377 4.468 20 5 EIBDHN COc1ccc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609916144 1049396543 /nfs/dbraw/zinc/39/65/43/1049396543.db2.gz AHUVLXNLCDYKHP-BBRMVZONSA-N 0 3 344.386 4.121 20 5 EIBDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610001877 1049469368 /nfs/dbraw/zinc/46/93/68/1049469368.db2.gz JKFCKLTXDCFMEE-GJZGRUSLSA-N 0 3 328.387 4.420 20 5 EIBDHN CC(C)(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000037128958 1049661774 /nfs/dbraw/zinc/66/17/74/1049661774.db2.gz NRGQOFIQRAZXIM-UHFFFAOYSA-N 0 3 349.228 4.382 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC[C@H]1c1nccs1)CC2 ZINC001172920988 1050233859 /nfs/dbraw/zinc/23/38/59/1050233859.db2.gz NFEHZQREECSRBT-WBVHZDCISA-N 0 3 343.452 4.136 20 5 EIBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1ccccc1F)CC1CC1 ZINC001174680679 1051116646 /nfs/dbraw/zinc/11/66/46/1051116646.db2.gz MUEUPSJSKRERJX-UHFFFAOYSA-N 0 3 344.386 4.025 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](Oc2ccccc2)C1 ZINC001174742486 1051160551 /nfs/dbraw/zinc/16/05/51/1051160551.db2.gz MOWJOZBKUMIJGY-MAUKXSAKSA-N 0 3 326.396 4.118 20 5 EIBDHN CC(C)[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000775434640 1051347282 /nfs/dbraw/zinc/34/72/82/1051347282.db2.gz OZWFTIUARCGGIZ-QZTJIDSGSA-N 0 3 348.830 4.269 20 5 EIBDHN CC(C)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000775434642 1051347734 /nfs/dbraw/zinc/34/77/34/1051347734.db2.gz OZWFTIUARCGGIZ-ROUUACIJSA-N 0 3 348.830 4.269 20 5 EIBDHN CN(C)[C@H]1CCOc2c(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cccc21 ZINC001175905653 1051839856 /nfs/dbraw/zinc/83/98/56/1051839856.db2.gz BEXCTNHMIBEORD-KSEUIEODSA-N 0 3 339.395 4.063 20 5 EIBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184466763 1051992639 /nfs/dbraw/zinc/99/26/39/1051992639.db2.gz FHKWPDYCTYSENA-LBPRGKRZSA-N 0 3 333.457 4.242 20 5 EIBDHN CCO[C@@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC001194177908 1052096189 /nfs/dbraw/zinc/09/61/89/1052096189.db2.gz ZYUFQGMPOIUVHN-HZPDHXFCSA-N 0 3 338.835 4.076 20 5 EIBDHN CCO[C@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC001194177905 1052096521 /nfs/dbraw/zinc/09/65/21/1052096521.db2.gz ZYUFQGMPOIUVHN-CVEARBPZSA-N 0 3 338.835 4.076 20 5 EIBDHN CCCCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001194194373 1052102544 /nfs/dbraw/zinc/10/25/44/1052102544.db2.gz ZQGYFMPEOIXDPX-HZPDHXFCSA-N 0 3 340.851 4.322 20 5 EIBDHN Cc1cc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC001185585413 1052267211 /nfs/dbraw/zinc/26/72/11/1052267211.db2.gz ZRNXEXXUHILJRN-KRWDZBQOSA-N 0 3 333.819 4.271 20 5 EIBDHN CCCC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000184888935 1052291263 /nfs/dbraw/zinc/29/12/63/1052291263.db2.gz QNBPDGJNPUJXMF-INIZCTEOSA-N 0 3 344.415 4.093 20 5 EIBDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000850428534 1053207576 /nfs/dbraw/zinc/20/75/76/1053207576.db2.gz PONKBNUTTBULMF-KBPBESRZSA-N 0 3 326.396 4.332 20 5 EIBDHN C[C@@H](NC[C@@H](O)c1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000120151400 1053326876 /nfs/dbraw/zinc/32/68/76/1053326876.db2.gz OXWMQCTUNUZJIA-MLGOLLRUSA-N 0 3 342.420 4.194 20 5 EIBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000552270768 1053846581 /nfs/dbraw/zinc/84/65/81/1053846581.db2.gz BLIWLHJFPQFXIY-XKGZKEIXSA-N 0 3 340.423 4.036 20 5 EIBDHN CC(C)c1cc([C@@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197542355 1053932558 /nfs/dbraw/zinc/93/25/58/1053932558.db2.gz KQKADVBJKJEQIZ-LSDHHAIUSA-N 0 3 342.443 4.382 20 5 EIBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000173340384 1054068076 /nfs/dbraw/zinc/06/80/76/1054068076.db2.gz SWSZOJHSGWDIBG-SUMWQHHRSA-N 0 3 342.395 4.168 20 5 EIBDHN C[C@H](CCCc1cccnc1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078187 1054380851 /nfs/dbraw/zinc/38/08/51/1054380851.db2.gz FTBWSHSSTZVQEN-KGLIPLIRSA-N 0 3 331.391 4.191 20 5 EIBDHN CC(C)C(CNCc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001202059552 1055003205 /nfs/dbraw/zinc/00/32/05/1055003205.db2.gz WUOAVZILICYENX-UHFFFAOYSA-N 0 3 343.265 4.375 20 5 EIBDHN CC[C@@H](C)[C@@H](C)N(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878057912 1055182329 /nfs/dbraw/zinc/18/23/29/1055182329.db2.gz RDQKAGGDKYZORV-CHWSQXEVSA-N 0 3 344.415 4.044 20 5 EIBDHN Cc1ccc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)o1 ZINC000542774347 1055969903 /nfs/dbraw/zinc/96/99/03/1055969903.db2.gz ILQVTVJZPBEXIS-HXUWFJFHSA-N 0 3 336.391 4.418 20 5 EIBDHN CCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C12CCCC2 ZINC000742390455 1058590692 /nfs/dbraw/zinc/59/06/92/1058590692.db2.gz HKBRBVPNTVVTGA-HZPDHXFCSA-N 0 3 338.835 4.076 20 5 EIBDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000746140551 1060039949 /nfs/dbraw/zinc/03/99/49/1060039949.db2.gz NBBZIMQIKPNYEE-HXUWFJFHSA-N 0 3 340.423 4.421 20 5 EIBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000766474114 1060377142 /nfs/dbraw/zinc/37/71/42/1060377142.db2.gz UXPMVFTZIZMMTE-NRFANRHFSA-N 0 3 348.402 4.085 20 5 EIBDHN CC[C@@H](C)[C@H](C)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000532963255 1032413544 /nfs/dbraw/zinc/41/35/44/1032413544.db2.gz BKXFERBNNMMWJQ-OLZOCXBDSA-N 0 3 344.415 4.044 20 5 EIBDHN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533289468 1032605839 /nfs/dbraw/zinc/60/58/39/1032605839.db2.gz LOZVYPZBSQJYEB-CZUORRHYSA-N 0 3 344.415 4.045 20 5 EIBDHN Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000120863542 1020549093 /nfs/dbraw/zinc/54/90/93/1020549093.db2.gz IQBLJAPCTZDOTG-IEBWSBKVSA-N 0 3 340.423 4.161 20 5 EIBDHN CC(C)(CCc1ccccc1)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC001167325892 1021122873 /nfs/dbraw/zinc/12/28/73/1021122873.db2.gz HESWEHGFHCOZMI-UHFFFAOYSA-N 0 3 334.366 4.374 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000610370722 1021551590 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Cc1ccc(C[C@@H](C)N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610582219 1024132597 /nfs/dbraw/zinc/13/25/97/1024132597.db2.gz KNVRMVZSYZBNHT-CQSZACIVSA-N 0 3 339.395 4.107 20 5 EIBDHN CC(C)c1csc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000128539125 1025033265 /nfs/dbraw/zinc/03/32/65/1025033265.db2.gz QAMURLSVDZKBJA-HNNXBMFYSA-N 0 3 345.468 4.286 20 5 EIBDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178660942 1027263080 /nfs/dbraw/zinc/26/30/80/1027263080.db2.gz PXSRTDYENPMCRZ-HUUCEWRRSA-N 0 3 336.395 4.192 20 5 EIBDHN CCC[C@H](NCc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000121423252 1027668753 /nfs/dbraw/zinc/66/87/53/1027668753.db2.gz HAUVKVYHZKFFAF-IBGZPJMESA-N 0 3 328.412 4.372 20 5 EIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCCC1 ZINC000536322386 1027957916 /nfs/dbraw/zinc/95/79/16/1027957916.db2.gz XMUHUZMXBNBZNT-UHFFFAOYSA-N 0 3 329.400 4.404 20 5 EIBDHN CC(C)O[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428310750 1027983534 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CC[C@@H](NCc1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000450674633 1029906680 /nfs/dbraw/zinc/90/66/80/1029906680.db2.gz CCLLHJCULVHYAZ-MRXNPFEDSA-N 0 3 334.803 4.498 20 5 EIBDHN CCc1cnccc1[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579818 1030211725 /nfs/dbraw/zinc/21/17/25/1030211725.db2.gz LSGQZEKVRTYQIN-BFUOFWGJSA-N 0 3 325.412 4.280 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCC34CCCC4)co2)cc1 ZINC000451460446 1030513428 /nfs/dbraw/zinc/51/34/28/1030513428.db2.gz RUEWBHDMQBCEDC-MRXNPFEDSA-N 0 3 327.384 4.062 20 5 EIBDHN Cc1csc([C@@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449169751 1031490257 /nfs/dbraw/zinc/49/02/57/1031490257.db2.gz DRPSRCBBDUQACS-ZBEGNZNMSA-N 0 3 331.441 4.032 20 5 EIBDHN COc1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433138633 1033916633 /nfs/dbraw/zinc/91/66/33/1033916633.db2.gz YMYAMUUKJDMUIP-GOSISDBHSA-N 0 3 326.396 4.116 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CC(F)(F)F)C(C)C ZINC000595039945 1035565534 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CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000481416568 1039404671 /nfs/dbraw/zinc/40/46/71/1039404671.db2.gz PWSJHUPFLNVUFT-SFHVURJKSA-N 0 3 325.412 4.279 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(OC(F)F)cc1)CCC2 ZINC000192607354 1039804650 /nfs/dbraw/zinc/80/46/50/1039804650.db2.gz DEAUJVPBKVICPU-QGZVFWFLSA-N 0 3 348.349 4.363 20 5 EIBDHN CCOc1cc(NC[C@H](N[C@H](C)CC)c2ccco2)ccc1[N+](=O)[O-] ZINC000553262342 1040094377 /nfs/dbraw/zinc/09/43/77/1040094377.db2.gz QQQZQCSBXVQACI-HIFRSBDPSA-N 0 3 347.415 4.128 20 5 EIBDHN CC[C@H]1[C@@H](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482497108 1040293748 /nfs/dbraw/zinc/29/37/48/1040293748.db2.gz YMCYORPMORZZDG-LRDDRELGSA-N 0 3 331.441 4.339 20 5 EIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC(C)(C)C1 ZINC000483114249 1040710278 /nfs/dbraw/zinc/71/02/78/1040710278.db2.gz WIHZIIWYGVYUNT-MRXNPFEDSA-N 0 3 329.400 4.260 20 5 EIBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)Sc1ccccc1 ZINC000462740966 1040887071 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EIBDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464769629 1042149050 /nfs/dbraw/zinc/14/90/50/1042149050.db2.gz IJWFSTUJIRNXCK-UONOGXRCSA-N 0 3 328.865 4.354 20 5 EIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000090217391 1042184432 /nfs/dbraw/zinc/18/44/32/1042184432.db2.gz UYOXOCMREOKYSK-HUUCEWRRSA-N 0 3 327.428 4.381 20 5 EIBDHN CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506343664 1042337877 /nfs/dbraw/zinc/33/78/77/1042337877.db2.gz TZUIIBCKLXDDKN-UHFFFAOYSA-N 0 3 339.189 4.069 20 5 EIBDHN CCC(CC)[C@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492102528 1042556759 /nfs/dbraw/zinc/55/67/59/1042556759.db2.gz ZMURCOJWYUWPHD-UXHICEINSA-N 0 3 342.439 4.071 20 5 EIBDHN CC(C)(C)C[C@@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229418 1042851843 /nfs/dbraw/zinc/85/18/43/1042851843.db2.gz NMPCUHMTTCFQMD-MOPGFXCFSA-N 0 3 342.439 4.071 20 5 EIBDHN CC(C)(C)C[C@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229420 1042851856 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EIBDHN COc1ccc(CN(C)[C@@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000604081310 1037185888 /nfs/dbraw/zinc/18/58/88/1037185888.db2.gz MEACQXYZDUKZSE-HNNXBMFYSA-N 0 3 328.412 4.413 20 5 EIBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000604409255 1037364744 /nfs/dbraw/zinc/36/47/44/1037364744.db2.gz KSDPGADILZWROS-GFCCVEGCSA-N 0 3 325.459 4.213 20 5 EIBDHN CC[C@H](NCc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423414944 1038222501 /nfs/dbraw/zinc/22/25/01/1038222501.db2.gz OFWAYTIJIWRRIO-SFHVURJKSA-N 0 3 325.412 4.194 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCCN3)CCC2 ZINC000423453082 1038252435 /nfs/dbraw/zinc/25/24/35/1038252435.db2.gz XDIMUINNJXLKOD-FQEVSTJZSA-N 0 3 337.423 4.120 20 5 EIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC1(c2ccc(F)cc2)CCC1 ZINC000594513365 1038358554 /nfs/dbraw/zinc/35/85/54/1038358554.db2.gz NEVUIQYNKHTRIH-QGZVFWFLSA-N 0 3 326.371 4.390 20 5 EIBDHN COc1ccc(CC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000504482458 1038381780 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SHHYSXSLWGOPJG-GUYCJALGSA-N 0 3 327.384 4.014 20 5 EIBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)c(Cl)c1 ZINC000435783033 1040631897 /nfs/dbraw/zinc/63/18/97/1040631897.db2.gz SQMFTKRVGBHOOP-JOCQHMNTSA-N 0 3 334.778 4.423 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CCCO)c1ccccc1 ZINC000160789552 1040756849 /nfs/dbraw/zinc/75/68/49/1040756849.db2.gz IGBVJBZIRFEIID-HNAYVOBHSA-N 0 3 328.412 4.068 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CCCO)c1ccccc1 ZINC000160789312 1040761305 /nfs/dbraw/zinc/76/13/05/1040761305.db2.gz IGBVJBZIRFEIID-KXBFYZLASA-N 0 3 328.412 4.068 20 5 EIBDHN Cc1ccc2c(c1)CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000483332349 1040817627 /nfs/dbraw/zinc/81/76/27/1040817627.db2.gz BFJDSKWHZWJUIB-UHFFFAOYSA-N 0 3 349.390 4.117 20 5 EIBDHN COc1ccc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000515539441 1040839906 /nfs/dbraw/zinc/83/99/06/1040839906.db2.gz PEMFRHBZABHAOW-IBGZPJMESA-N 0 3 326.396 4.249 20 5 EIBDHN C[C@H](NCCOCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537939114 1040901649 /nfs/dbraw/zinc/90/16/49/1040901649.db2.gz DBVFZMYFCZZFPI-ZDUSSCGKSA-N 0 3 334.803 4.116 20 5 EIBDHN CCCc1ccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000537969202 1040971370 /nfs/dbraw/zinc/97/13/70/1040971370.db2.gz PPNSVFCEHJZXJO-AWEZNQCLSA-N 0 3 328.412 4.407 20 5 EIBDHN CCC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000537973641 1040976267 /nfs/dbraw/zinc/97/62/67/1040976267.db2.gz TWLVJXBMVAZUDA-QGZVFWFLSA-N 0 3 344.411 4.243 20 5 EIBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000484345372 1041218329 /nfs/dbraw/zinc/21/83/29/1041218329.db2.gz ZKXOINOJCGQPCS-CQSZACIVSA-N 0 3 330.350 4.048 20 5 EIBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000484345371 1041218833 /nfs/dbraw/zinc/21/88/33/1041218833.db2.gz ZKXOINOJCGQPCS-AWEZNQCLSA-N 0 3 330.350 4.048 20 5 EIBDHN C[C@H](C1CCCCC1)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554839356 1041450921 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4.354 20 5 EIBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000464850632 1042197370 /nfs/dbraw/zinc/19/73/70/1042197370.db2.gz IMVDIPQBGWXDER-YOEHRIQHSA-N 0 3 330.384 4.040 20 5 EIBDHN COCCCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000052798182 1042449633 /nfs/dbraw/zinc/44/96/33/1042449633.db2.gz ZNNVAMQMDWWTMA-UHFFFAOYSA-N 0 3 328.412 4.024 20 5 EIBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2ccc(O)cc2)CC1 ZINC000506639292 1042718852 /nfs/dbraw/zinc/71/88/52/1042718852.db2.gz ITYZIWAXIWQBSV-HWKANZROSA-N 0 3 338.407 4.193 20 5 EIBDHN CCOc1cc(CN[C@H](C)c2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000492842821 1042761270 /nfs/dbraw/zinc/76/12/70/1042761270.db2.gz AKFPAUQDFUYJKW-OAHLLOKOSA-N 0 3 328.412 4.461 20 5 EIBDHN CC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000133792319 1043304366 /nfs/dbraw/zinc/30/43/66/1043304366.db2.gz PQQJTGFXTHVCKP-IAGOWNOFSA-N 0 3 330.432 4.137 20 5 EIBDHN Cc1ccc(Br)cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000438906876 1043578272 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UHSLMGIMNVSSOM-SFHVURJKSA-N 0 3 326.396 4.116 20 5 EIBDHN Cc1ccccc1C[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734149678 1044496848 /nfs/dbraw/zinc/49/68/48/1044496848.db2.gz FMWWTZPYHXXMBG-GOSISDBHSA-N 0 3 328.387 4.249 20 5 EIBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCC(F)(F)F)CC1CC1 ZINC000091901474 1044716756 /nfs/dbraw/zinc/71/67/56/1044716756.db2.gz ZWKLKFRHIBEHNV-HWKANZROSA-N 0 3 328.334 4.272 20 5 EIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2nsnc21 ZINC000766020028 1045227673 /nfs/dbraw/zinc/22/76/73/1045227673.db2.gz ZYRZHCFWJVMJNW-UHFFFAOYSA-N 0 3 342.424 4.010 20 5 EIBDHN CCOc1ccc([C@@H](C)N[C@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000153334911 1045515476 /nfs/dbraw/zinc/51/54/76/1045515476.db2.gz SYIFSHJQNHPEDB-PXAZEXFGSA-N 0 3 344.386 4.471 20 5 EIBDHN Cc1ccc([C@H](C)NCc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000326524563 1045979704 /nfs/dbraw/zinc/97/97/04/1045979704.db2.gz VGZSKFSOFJCWOO-AWEZNQCLSA-N 0 3 336.395 4.144 20 5 EIBDHN CCC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000793241744 1046187274 /nfs/dbraw/zinc/18/72/74/1046187274.db2.gz XHPORMNUYCBINZ-ROUUACIJSA-N 0 3 348.830 4.240 20 5 EIBDHN CC[C@H]1C[C@@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000536669397 1046620301 /nfs/dbraw/zinc/62/03/01/1046620301.db2.gz BBCSBTCDRCCQQG-DOMZBBRYSA-N 0 3 331.441 4.339 20 5 EIBDHN CCS[C@H]1CC[C@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672702 1046988216 /nfs/dbraw/zinc/98/82/16/1046988216.db2.gz HFDJHDXENSISPR-KBPBESRZSA-N 0 3 328.865 4.354 20 5 EIBDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746713913 1047068479 /nfs/dbraw/zinc/06/84/79/1047068479.db2.gz YEFZBLUHBBERQE-MSOLQXFVSA-N 0 3 342.443 4.024 20 5 EIBDHN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574423 1047235654 /nfs/dbraw/zinc/23/56/54/1047235654.db2.gz TWBGFSMRLAEIDN-ZDUSSCGKSA-N 0 3 327.428 4.325 20 5 EIBDHN CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788639979 1047257480 /nfs/dbraw/zinc/25/74/80/1047257480.db2.gz DWWSPTMDSJBHTK-KBPBESRZSA-N 0 3 343.427 4.376 20 5 EIBDHN C[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801703 1047305999 /nfs/dbraw/zinc/30/59/99/1047305999.db2.gz BRPYFTUEPWBMAO-APPDUMDISA-N 0 3 329.375 4.044 20 5 EIBDHN CSc1ccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788814894 1047316543 /nfs/dbraw/zinc/31/65/43/1047316543.db2.gz NOUCEFHQTYLCPR-RYUDHWBXSA-N 0 3 331.441 4.311 20 5 EIBDHN CSc1ccccc1[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813382 1047327075 /nfs/dbraw/zinc/32/70/75/1047327075.db2.gz HCFFIRBVLSQHAP-RYUDHWBXSA-N 0 3 331.441 4.311 20 5 EIBDHN C[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604322 1048555165 /nfs/dbraw/zinc/55/51/65/1048555165.db2.gz KYWONOFLZINQGP-CYBMUJFWSA-N 0 3 343.427 4.205 20 5 EIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1c(F)cc(F)cc1F ZINC000815649327 1048572643 /nfs/dbraw/zinc/57/26/43/1048572643.db2.gz MHTHBVKJGFLSMR-NSHDSACASA-N 0 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C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 ZINC001195765878 1053475191 /nfs/dbraw/zinc/47/51/91/1053475191.db2.gz AEDBPEFLWFHYON-ZDUSSCGKSA-N 0 3 330.815 4.410 20 5 EIBDHN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776589550 1053575799 /nfs/dbraw/zinc/57/57/99/1053575799.db2.gz TVGRDIUJXZRUHC-BVGQSLNGSA-N 0 3 344.411 4.003 20 5 EIBDHN Cc1cccc2oc(CCNCc3cc(Cl)ccc3[N+](=O)[O-])nc21 ZINC000776220338 1054937039 /nfs/dbraw/zinc/93/70/39/1054937039.db2.gz VQUSKCHLFUBOCK-UHFFFAOYSA-N 0 3 345.786 4.030 20 5 EIBDHN CC[C@@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC000878373720 1055278616 /nfs/dbraw/zinc/27/86/16/1055278616.db2.gz BIDPONNLBJTGOF-OAHLLOKOSA-N 0 3 344.415 4.093 20 5 EIBDHN CC[C@@H](NCc1ccccc1N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000765847098 1055869703 /nfs/dbraw/zinc/86/97/03/1055869703.db2.gz AYJBYFFJJGYJJC-GOSISDBHSA-N 0 3 327.428 4.292 20 5 EIBDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000475742974 1032555951 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COc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1OC ZINC000584552395 1022350965 /nfs/dbraw/zinc/35/09/65/1022350965.db2.gz YZWQWJDEBCIDCK-AWEZNQCLSA-N 0 3 344.411 4.080 20 5 EIBDHN CC[C@H](COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120229619 1022686367 /nfs/dbraw/zinc/68/63/67/1022686367.db2.gz ZQRALCRAHNRWDK-LLVKDONJSA-N 0 3 338.791 4.023 20 5 EIBDHN CCC(C)(C)[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000156732270 1022737914 /nfs/dbraw/zinc/73/79/14/1022737914.db2.gz SJTCUGYFGLHQGI-HNNXBMFYSA-N 0 3 344.415 4.045 20 5 EIBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000581154653 1022861020 /nfs/dbraw/zinc/86/10/20/1022861020.db2.gz MZYUFXOBJRBIDK-TXEJJXNPSA-N 0 3 334.313 4.287 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)COC3)CCCC2 ZINC000417313783 1023257689 /nfs/dbraw/zinc/25/76/89/1023257689.db2.gz XFOVAKFDZKWFNB-FQEVSTJZSA-N 0 3 338.407 4.182 20 5 EIBDHN CCOCc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122641937 1023754984 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3 344.415 4.045 20 5 EIBDHN CC(C)c1ccc(CN2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000611983750 1030679760 /nfs/dbraw/zinc/67/97/60/1030679760.db2.gz GFKOEBJITGRZDY-GOSISDBHSA-N 0 3 339.439 4.178 20 5 EIBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000530973850 1030822673 /nfs/dbraw/zinc/82/26/73/1030822673.db2.gz FBKNKEZIEHWIQL-PJHJGJPPSA-N 0 3 326.396 4.199 20 5 EIBDHN Cc1csc([C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449169747 1031491950 /nfs/dbraw/zinc/49/19/50/1031491950.db2.gz DRPSRCBBDUQACS-BDJLRTHQSA-N 0 3 331.441 4.032 20 5 EIBDHN CC1(C)C[C@@H](N[C@@H](c2cccnc2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304340 1034198781 /nfs/dbraw/zinc/19/87/81/1034198781.db2.gz MYNHMYUKCSFSQI-RTBURBONSA-N 0 3 337.423 4.453 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1csc(C(C)C)n1 ZINC000595040883 1035563893 /nfs/dbraw/zinc/56/38/93/1035563893.db2.gz PIUPYQXHBHYVIK-LBPRGKRZSA-N 0 3 349.456 4.077 20 5 EIBDHN CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)cc1 ZINC000574890078 1035574442 /nfs/dbraw/zinc/57/44/42/1035574442.db2.gz MXPHSMNPKFYMDC-MSOLQXFVSA-N 0 3 326.396 4.332 20 5 EIBDHN CC(C)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000491134638 1035808361 /nfs/dbraw/zinc/80/83/61/1035808361.db2.gz VYSQCFVNVFNGOP-UHFFFAOYSA-N 0 3 344.415 4.188 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc2ncsc2c1 ZINC000485706944 1036181505 /nfs/dbraw/zinc/18/15/05/1036181505.db2.gz CJLVQWHWBAYLET-GFCCVEGCSA-N 0 3 327.409 4.364 20 5 EIBDHN Cc1ccc(CN[C@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000485708576 1036184897 /nfs/dbraw/zinc/18/48/97/1036184897.db2.gz AYPNHGGURRTYDE-GFCCVEGCSA-N 0 3 327.409 4.364 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCCC(C)C)CC1 ZINC000485710463 1036188077 /nfs/dbraw/zinc/18/80/77/1036188077.db2.gz SJAJVRZQUCKIAU-INIZCTEOSA-N 0 3 334.460 4.491 20 5 EIBDHN CC(C)(C)C[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000060877162 1036626356 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4.045 20 5 EIBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520686 1037404460 /nfs/dbraw/zinc/40/44/60/1037404460.db2.gz CBVIPPNTAUSFOJ-ICSRJNTNSA-N 0 3 340.423 4.195 20 5 EIBDHN CC(C)(C)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488527422 1037650349 /nfs/dbraw/zinc/65/03/49/1037650349.db2.gz BRVBBBQNLVUNJF-SMDDNHRTSA-N 0 3 328.865 4.258 20 5 EIBDHN CCCCCn1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000503271526 1037664591 /nfs/dbraw/zinc/66/45/91/1037664591.db2.gz WUJWQUIYSUKGBP-NTMALXAHSA-N 0 3 342.443 4.093 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc3c1CCCN3)CCC2 ZINC000423420365 1038208472 /nfs/dbraw/zinc/20/84/72/1038208472.db2.gz WUKJVGUMGOQQGZ-FQEVSTJZSA-N 0 3 337.423 4.120 20 5 EIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1(c2cccc(F)c2)CCC1 ZINC000594509802 1038356669 /nfs/dbraw/zinc/35/66/69/1038356669.db2.gz YVUIVZQBYNSYTQ-KRWDZBQOSA-N 0 3 326.371 4.390 20 5 EIBDHN C[C@H](N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000555226027 1038993742 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EIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](COc2ccccc2)C1 ZINC000505880237 1041475609 /nfs/dbraw/zinc/47/56/09/1041475609.db2.gz RLNRIGYVHQZZCO-CVEARBPZSA-N 0 3 326.396 4.057 20 5 EIBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463456157 1041576845 /nfs/dbraw/zinc/57/68/45/1041576845.db2.gz YXXZREMCVKAZPT-CABCVRRESA-N 0 3 346.349 4.027 20 5 EIBDHN CCCC[C@H]1CCC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000460346851 1041795134 /nfs/dbraw/zinc/79/51/34/1041795134.db2.gz LJBWZNQTVCKQNH-BBRMVZONSA-N 0 3 344.415 4.093 20 5 EIBDHN CCCCN(CCCC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000506104832 1041881623 /nfs/dbraw/zinc/88/16/23/1041881623.db2.gz VYBSVSOCLGNLLQ-UHFFFAOYSA-N 0 3 332.404 4.047 20 5 EIBDHN CCOc1cc(CN[C@]2(C)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000492415030 1042638820 /nfs/dbraw/zinc/63/88/20/1042638820.db2.gz FCYDLWGYBYVNGC-HXUWFJFHSA-N 0 3 340.423 4.335 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCOc2c(C)cccc21 ZINC000473997929 1042933738 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EIBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ncccc1Cl)C1CC1 ZINC001173229299 1050358060 /nfs/dbraw/zinc/35/80/60/1050358060.db2.gz MJOPMCGWVATFPZ-SJCJKPOMSA-N 0 3 345.830 4.315 20 5 EIBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)c(F)cc1F ZINC001173232137 1050359204 /nfs/dbraw/zinc/35/92/04/1050359204.db2.gz CZNHEXNXJAYUOA-JTQLQIEISA-N 0 3 340.757 4.247 20 5 EIBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2c(Cl)cccc2C1 ZINC001173232487 1050359508 /nfs/dbraw/zinc/35/95/08/1050359508.db2.gz HDMAFBPUABBXFR-CYBMUJFWSA-N 0 3 330.815 4.238 20 5 EIBDHN CC1(C)CCCN1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186681659 1050399634 /nfs/dbraw/zinc/39/96/34/1050399634.db2.gz VSKHHAJGXPXIGN-UHFFFAOYSA-N 0 3 332.231 4.188 20 5 EIBDHN CCC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001178954923 1050596306 /nfs/dbraw/zinc/59/63/06/1050596306.db2.gz WUJOHBRZDPIPHO-KGLIPLIRSA-N 0 3 336.432 4.005 20 5 EIBDHN COc1c(Cl)cccc1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001179685248 1050747955 /nfs/dbraw/zinc/74/79/55/1050747955.db2.gz IAYDRCTYDPWDBW-UKTHLTGXSA-N 0 3 346.814 4.450 20 5 EIBDHN CN(Cc1cc(Br)c([N+](=O)[O-])s1)C(C1CC1)C1CC1 ZINC001180006692 1050853446 /nfs/dbraw/zinc/85/34/46/1050853446.db2.gz JPPMTVCYUUYUDU-UHFFFAOYSA-N 0 3 345.262 4.039 20 5 EIBDHN CCCC[N@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C1CCCCC1 ZINC001182043830 1051378901 /nfs/dbraw/zinc/37/89/01/1051378901.db2.gz PKUPSAXJUMCLGV-UHFFFAOYSA-N 0 3 336.432 4.244 20 5 EIBDHN CCCC[N@@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C1CCCCC1 ZINC001182043830 1051378911 /nfs/dbraw/zinc/37/89/11/1051378911.db2.gz PKUPSAXJUMCLGV-UHFFFAOYSA-N 0 3 336.432 4.244 20 5 EIBDHN C[C@H](NCc1ccc(F)c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC001192672347 1051787086 /nfs/dbraw/zinc/78/70/86/1051787086.db2.gz GROVMPJLCABNRI-LBPRGKRZSA-N 0 3 325.343 4.133 20 5 EIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000072558943 1052434318 /nfs/dbraw/zinc/43/43/18/1052434318.db2.gz SANVTJAHFYDNMQ-AWEZNQCLSA-N 0 3 326.396 4.241 20 5 EIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000072558944 1052434382 /nfs/dbraw/zinc/43/43/82/1052434382.db2.gz SANVTJAHFYDNMQ-CQSZACIVSA-N 0 3 326.396 4.241 20 5 EIBDHN Cc1cc(F)ccc1[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195122248 1053282061 /nfs/dbraw/zinc/28/20/61/1053282061.db2.gz FMNCTGWBTGJHTE-LJQANCHMSA-N 0 3 344.386 4.258 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](C4CCC4)C3)co2)cc1 ZINC001196255293 1053619337 /nfs/dbraw/zinc/61/93/37/1053619337.db2.gz TZIFYFIYHHUFOS-MRXNPFEDSA-N 0 3 341.411 4.262 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000853094593 1053645374 /nfs/dbraw/zinc/64/53/74/1053645374.db2.gz HDOOTTCIXGIAEI-CQSZACIVSA-N 0 3 326.396 4.079 20 5 EIBDHN Cc1csc(CCCCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872031211 1054346136 /nfs/dbraw/zinc/34/61/36/1054346136.db2.gz HSPMFIPWADVMHC-GFCCVEGCSA-N 0 3 337.420 4.172 20 5 EIBDHN Cc1nc2c(s1)[C@@H](NCc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC000873103284 1054486360 /nfs/dbraw/zinc/48/63/60/1054486360.db2.gz STFPCKAMHNRQNG-AWEZNQCLSA-N 0 3 331.441 4.144 20 5 EIBDHN O=[N+]([O-])c1cc([O-])cc(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001201222388 1054732038 /nfs/dbraw/zinc/73/20/38/1054732038.db2.gz MTMTUAXBBNRUSG-UHFFFAOYSA-N 0 3 327.384 4.030 20 5 EIBDHN COc1ccc(CNCc2ccc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000776173636 1054802354 /nfs/dbraw/zinc/80/23/54/1054802354.db2.gz BFOFDTUUZIKIDJ-UHFFFAOYSA-N 0 3 334.441 4.252 20 5 EIBDHN COc1ccc2c(c1)[C@H](NCc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC001201777940 1054917628 /nfs/dbraw/zinc/91/76/28/1054917628.db2.gz OKNCNJRONNFIGV-LJQANCHMSA-N 0 3 340.423 4.387 20 5 EIBDHN CC(C)[C@@H]1C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001202425949 1055167215 /nfs/dbraw/zinc/16/72/15/1055167215.db2.gz CVNKQCDDBLKCSR-BBRMVZONSA-N 0 3 331.441 4.100 20 5 EIBDHN Cc1c2ccccc2oc1[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765844889 1055846010 /nfs/dbraw/zinc/84/60/10/1055846010.db2.gz KFCPGCIWMFEKMJ-SUMWQHHRSA-N 0 3 340.379 4.034 20 5 EIBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000554747713 1056170098 /nfs/dbraw/zinc/17/00/98/1056170098.db2.gz ZRPAAXZOTMRULI-UHFFFAOYSA-N 0 3 345.830 4.007 20 5 EIBDHN CCC(CC)CN(CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153879733 1056689683 /nfs/dbraw/zinc/68/96/83/1056689683.db2.gz KNTUYWHPCUMPQV-CYBMUJFWSA-N 0 3 346.431 4.464 20 5 EIBDHN CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC000742390429 1058589959 /nfs/dbraw/zinc/58/99/59/1058589959.db2.gz GVWABJGANRKGGK-CVEARBPZSA-N 0 3 338.835 4.076 20 5 EIBDHN CCS[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001169409842 1060801419 /nfs/dbraw/zinc/80/14/19/1060801419.db2.gz RRNYSCDDJMPEOG-LSDHHAIUSA-N 0 3 328.865 4.402 20 5 EIBDHN COc1ccc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610216030 1019388348 /nfs/dbraw/zinc/38/83/48/1019388348.db2.gz DVUGPMRKZXBFST-CRAIPNDOSA-N 0 3 340.423 4.229 20 5 EIBDHN COc1ccc(C[C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000610217351 1019430444 /nfs/dbraw/zinc/43/04/44/1019430444.db2.gz JCGLOISKFCZSEM-QGZVFWFLSA-N 0 3 340.423 4.058 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000581230418 1021837787 /nfs/dbraw/zinc/83/77/87/1021837787.db2.gz DUKCIEYNNVEWNI-VDBIKXPHSA-N 0 3 328.334 4.272 20 5 EIBDHN CC(C)c1ccc(CN[C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414918361 1023364964 /nfs/dbraw/zinc/36/49/64/1023364964.db2.gz SFSLOUBIADOBRA-IBGZPJMESA-N 0 3 339.439 4.468 20 5 EIBDHN CSCC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000566810003 1023822642 /nfs/dbraw/zinc/82/26/42/1023822642.db2.gz YCYVAYYVZKCWPJ-SNVBAGLBSA-N 0 3 336.379 4.187 20 5 EIBDHN Cc1ccc(C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000341532523 1023834638 /nfs/dbraw/zinc/83/46/38/1023834638.db2.gz BSMVLMMNBQPOJK-XQRVVYSFSA-N 0 3 337.423 4.191 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540136522 1026284445 /nfs/dbraw/zinc/28/44/45/1026284445.db2.gz PGWXLMSLBUEKTC-RIFZZMRRSA-N 0 3 340.423 4.332 20 5 EIBDHN COc1ccc([C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512339360 1026740359 /nfs/dbraw/zinc/74/03/59/1026740359.db2.gz UMSLFHLANMFLBP-WLPBJKJWSA-N 0 3 338.407 4.106 20 5 EIBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](COc2ccccc2)C1 ZINC000507706234 1026882033 /nfs/dbraw/zinc/88/20/33/1026882033.db2.gz GWYQPYMVTCLHPF-JKNJVXJCSA-N 0 3 338.407 4.009 20 5 EIBDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660796 1027262854 /nfs/dbraw/zinc/26/28/54/1027262854.db2.gz XCQAKBHHNLLOLT-HUUCEWRRSA-N 0 3 336.395 4.192 20 5 EIBDHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444660188 1027930917 /nfs/dbraw/zinc/93/09/17/1027930917.db2.gz IXAQDPWKZIFWKZ-CJNGLKHVSA-N 0 3 344.415 4.045 20 5 EIBDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000583432780 1028726040 /nfs/dbraw/zinc/72/60/40/1028726040.db2.gz ALLYRTWKZXOUCO-QGZVFWFLSA-N 0 3 344.411 4.195 20 5 EIBDHN COc1ccc([C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C2CC2)cc1 ZINC000584361493 1029762833 /nfs/dbraw/zinc/76/28/33/1029762833.db2.gz SDDIUOYLLYNQJJ-QUCCMNQESA-N 0 3 338.407 4.332 20 5 EIBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000527042762 1030422914 /nfs/dbraw/zinc/42/29/14/1030422914.db2.gz CNLIFBUEFHQEFD-JTQLQIEISA-N 0 3 326.805 4.039 20 5 EIBDHN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000451866310 1030746640 /nfs/dbraw/zinc/74/66/40/1030746640.db2.gz JLCCSNSZGOTTSX-KDOFPFPSSA-N 0 3 325.412 4.217 20 5 EIBDHN CC(C)(CO)[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000453581879 1032029891 /nfs/dbraw/zinc/02/98/91/1032029891.db2.gz VKDHKMGSTZMAFZ-CTEOGUNLSA-N 0 3 346.452 4.019 20 5 EIBDHN CC(C)C1CCC(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000433026263 1033686919 /nfs/dbraw/zinc/68/69/19/1033686919.db2.gz DLFYPMJHCJXFLG-UHFFFAOYSA-N 0 3 348.443 4.108 20 5 EIBDHN COc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433136358 1033905225 /nfs/dbraw/zinc/90/52/25/1033905225.db2.gz PTPOSUWUCFGGJY-SFHVURJKSA-N 0 3 326.396 4.116 20 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/nfs/dbraw/zinc/40/57/70/1037405770.db2.gz TZDXEKPGTZXOIG-UHFFFAOYSA-N 0 3 328.412 4.262 20 5 EIBDHN COc1ccccc1[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537615049 1038896518 /nfs/dbraw/zinc/89/65/18/1038896518.db2.gz JZJKMCMWQSOMSE-QLBOMPFWSA-N 0 3 338.407 4.106 20 5 EIBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029833348 1040465876 /nfs/dbraw/zinc/46/58/76/1040465876.db2.gz GWNOXCWIFVWUDE-HNNXBMFYSA-N 0 3 337.379 4.116 20 5 EIBDHN CC(C)CO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000539927292 1040898187 /nfs/dbraw/zinc/89/81/87/1040898187.db2.gz MNFMFOBSJVICQY-HNNXBMFYSA-N 0 3 344.411 4.102 20 5 EIBDHN CCC[C@@H](NCc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540170624 1041213750 /nfs/dbraw/zinc/21/37/50/1041213750.db2.gz MELIOOIZWNPZMD-GOSISDBHSA-N 0 3 327.428 4.292 20 5 EIBDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538406205 1041303466 /nfs/dbraw/zinc/30/34/66/1041303466.db2.gz SQAVKPBECWYAJK-VBHSOAQHSA-N 0 3 332.375 4.161 20 5 EIBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000480673854 1041465182 /nfs/dbraw/zinc/46/51/82/1041465182.db2.gz WVKZWIZBNFRNBE-JTQLQIEISA-N 0 3 340.210 4.190 20 5 EIBDHN CCCOc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000517246275 1041923147 /nfs/dbraw/zinc/92/31/47/1041923147.db2.gz QGDAQLKYESMBGP-SFHVURJKSA-N 0 3 326.396 4.161 20 5 EIBDHN CCC[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541696411 1042069935 /nfs/dbraw/zinc/06/99/35/1042069935.db2.gz DWIJNQKHSMHHEY-INIZCTEOSA-N 0 3 329.400 4.404 20 5 EIBDHN O=[N+]([O-])c1ccc(CN[C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609134967 1042089887 /nfs/dbraw/zinc/08/98/87/1042089887.db2.gz HDHABMWQKSUDNJ-LJQANCHMSA-N 0 3 325.412 4.401 20 5 EIBDHN CCC[C@H]1[C@H](C)CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000464731289 1042135914 /nfs/dbraw/zinc/13/59/14/1042135914.db2.gz GXRHDSPFUVMPHE-CJNGLKHVSA-N 0 3 344.415 4.045 20 5 EIBDHN CCOc1cccc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000517962505 1042293926 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20 5 EIBDHN CO[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000493038868 1042799763 /nfs/dbraw/zinc/79/97/63/1042799763.db2.gz WXSTWKWVMNJIFN-OALUTQOASA-N 0 3 342.439 4.335 20 5 EIBDHN CC(C)(C)C[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000141473092 1042873959 /nfs/dbraw/zinc/87/39/59/1042873959.db2.gz SZGDYIVEQYQRQR-HNNXBMFYSA-N 0 3 344.415 4.045 20 5 EIBDHN CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCCO1 ZINC000761511674 1042874127 /nfs/dbraw/zinc/87/41/27/1042874127.db2.gz NUQBYDNYODITJH-AWEZNQCLSA-N 0 3 326.824 4.029 20 5 EIBDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611554145 1043046319 /nfs/dbraw/zinc/04/63/19/1043046319.db2.gz GDKVGHJYGUSMTG-QWHCGFSZSA-N 0 3 346.349 4.027 20 5 EIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554947370 1043085676 /nfs/dbraw/zinc/08/56/76/1043085676.db2.gz ZENVQQQLCFXIIU-MGPUTAFESA-N 0 3 338.407 4.126 20 5 EIBDHN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190489470 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EIBDHN C[C@H](N[C@@H]1CCOC2(CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049641 1054362826 /nfs/dbraw/zinc/36/28/26/1054362826.db2.gz UMBQRISCAQSVQY-UONOGXRCSA-N 0 3 336.407 4.266 20 5 EIBDHN CCC[C@@H](C)[C@H]1CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199477 1055204977 /nfs/dbraw/zinc/20/49/77/1055204977.db2.gz AZFIDPDXQGZACE-UKRRQHHQSA-N 0 3 344.415 4.045 20 5 EIBDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533289467 1032606896 /nfs/dbraw/zinc/60/68/96/1032606896.db2.gz LOZVYPZBSQJYEB-CJNGLKHVSA-N 0 3 344.415 4.045 20 5 EIBDHN COc1ccc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610216032 1019386255 /nfs/dbraw/zinc/38/62/55/1019386255.db2.gz DVUGPMRKZXBFST-QAPCUYQASA-N 0 3 340.423 4.229 20 5 EIBDHN COc1ccc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610216031 1019386998 /nfs/dbraw/zinc/38/69/98/1019386998.db2.gz DVUGPMRKZXBFST-MAUKXSAKSA-N 0 3 340.423 4.229 20 5 EIBDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000609704181 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EIBDHN CCCC[C@@H](COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524064989 1028590937 /nfs/dbraw/zinc/59/09/37/1028590937.db2.gz CWCKEXZOPJITJY-HNNXBMFYSA-N 0 3 332.400 4.150 20 5 EIBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000926493633 1028740649 /nfs/dbraw/zinc/74/06/49/1028740649.db2.gz WXERMFQVVUIAPN-KGLIPLIRSA-N 0 3 328.412 4.234 20 5 EIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000445892505 1028988503 /nfs/dbraw/zinc/98/85/03/1028988503.db2.gz CCKGPJPBIAVCJJ-AWEZNQCLSA-N 0 3 348.365 4.449 20 5 EIBDHN CC[C@H](NCc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152252914 1029654324 /nfs/dbraw/zinc/65/43/24/1029654324.db2.gz FULLSGKFFCSEOP-SFHVURJKSA-N 0 3 336.395 4.021 20 5 EIBDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000090804345 1029869221 /nfs/dbraw/zinc/86/92/21/1029869221.db2.gz NOWNRGXJCVYGCV-TXPKVOOTSA-N 0 3 340.423 4.413 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@H]3CCC34CCCC4)co2)cc1 ZINC000451460444 1030510884 /nfs/dbraw/zinc/51/08/84/1030510884.db2.gz RUEWBHDMQBCEDC-INIZCTEOSA-N 0 3 327.384 4.062 20 5 EIBDHN CC[C@@H](NCc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000368475090 1030852654 /nfs/dbraw/zinc/85/26/54/1030852654.db2.gz VDDKJEIZXAFVTC-GOSISDBHSA-N 0 3 336.395 4.226 20 5 EIBDHN CCC(CC)c1cc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449173298 1031495116 /nfs/dbraw/zinc/49/51/16/1031495116.db2.gz XDLKGOIHIBDVRT-CYBMUJFWSA-N 0 3 331.416 4.207 20 5 EIBDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000453244455 1031767409 /nfs/dbraw/zinc/76/74/09/1031767409.db2.gz DVUPHFUELFAPMU-ORAYPTAESA-N 0 3 326.396 4.332 20 5 EIBDHN Cc1nn(C(C)C)cc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449496043 1031804876 /nfs/dbraw/zinc/80/48/76/1031804876.db2.gz FYEMQBHNBCEGAO-KRWDZBQOSA-N 0 3 342.443 4.060 20 5 EIBDHN CN(C)[C@H]1CCOc2c(Nc3c(F)cc([N+](=O)[O-])cc3F)cccc21 ZINC000432921834 1033414620 /nfs/dbraw/zinc/41/46/20/1033414620.db2.gz GYIREGLMBXAJQX-HNNXBMFYSA-N 0 3 349.337 4.002 20 5 EIBDHN CC(C)c1ccc(CN[C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000513028246 1034336054 /nfs/dbraw/zinc/33/60/54/1034336054.db2.gz XHLWPNXLRYNYAW-CYBMUJFWSA-N 0 3 338.411 4.445 20 5 EIBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000513067267 1034466045 /nfs/dbraw/zinc/46/60/45/1034466045.db2.gz DBAKDXPPIGOOJT-YESZJQIVSA-N 0 3 346.452 4.097 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OC2CCCC2)CC1 ZINC000182721745 1034984244 /nfs/dbraw/zinc/98/42/44/1034984244.db2.gz YDVYYTCHXHZFBY-OAHLLOKOSA-N 0 3 332.444 4.388 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCCC1(F)F ZINC000595039720 1035566048 /nfs/dbraw/zinc/56/60/48/1035566048.db2.gz BGCKXPLVUQIIJH-NWDGAFQWSA-N 0 3 328.359 4.080 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc2ncsc2c1 ZINC000485706945 1036182921 /nfs/dbraw/zinc/18/29/21/1036182921.db2.gz CJLVQWHWBAYLET-LBPRGKRZSA-N 0 3 327.409 4.364 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](c1ccccc1)C(F)(F)F ZINC000485720115 1036206336 /nfs/dbraw/zinc/20/63/36/1036206336.db2.gz QNTZOWZLCFLKLH-MRXNPFEDSA-N 0 3 338.329 4.339 20 5 EIBDHN CCSCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000502563735 1036358197 /nfs/dbraw/zinc/35/81/97/1036358197.db2.gz AAPQGLNNSPOKCN-GOSISDBHSA-N 0 3 330.453 4.417 20 5 EIBDHN CN(C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000589103485 1036656805 /nfs/dbraw/zinc/65/68/05/1036656805.db2.gz MMLFXPHRMCVRNQ-CYBMUJFWSA-N 0 3 341.383 4.309 20 5 EIBDHN CCC[C@@H](C)[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802287 1036864539 /nfs/dbraw/zinc/86/45/39/1036864539.db2.gz WUWIAQGUIYBLLD-CZUORRHYSA-N 0 3 344.415 4.045 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3(C4CCC4)CC3)cs2)c1 ZINC000593676923 1036878377 /nfs/dbraw/zinc/87/83/77/1036878377.db2.gz PVVODSCHJCCMHA-UHFFFAOYSA-N 0 3 329.425 4.141 20 5 EIBDHN CC(C)(C)[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488527412 1037651713 /nfs/dbraw/zinc/65/17/13/1037651713.db2.gz BRVBBBQNLVUNJF-FZMZJTMJSA-N 0 3 328.865 4.258 20 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/nfs/dbraw/zinc/41/50/75/1039415075.db2.gz SOJWIMXEOYQYFC-SFHVURJKSA-N 0 3 325.412 4.279 20 5 EIBDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000481476468 1039486778 /nfs/dbraw/zinc/48/67/78/1039486778.db2.gz ACQYNTBESXTGAL-YVEFUNNKSA-N 0 3 334.803 4.114 20 5 EIBDHN CCc1nc2c(s1)[C@H](NCc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478497936 1039789198 /nfs/dbraw/zinc/78/91/98/1039789198.db2.gz LLJVHBYUARCVGQ-CYBMUJFWSA-N 0 3 331.441 4.089 20 5 EIBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000551006793 1039869301 /nfs/dbraw/zinc/86/93/01/1039869301.db2.gz WSWBBHQXRZEPEE-UGSOOPFHSA-N 0 3 342.395 4.183 20 5 EIBDHN CN1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000553080535 1039978141 /nfs/dbraw/zinc/97/81/41/1039978141.db2.gz NNLRJDHUMWGOQO-SJCJKPOMSA-N 0 3 349.431 4.290 20 5 EIBDHN CN1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000553080536 1039978907 /nfs/dbraw/zinc/97/89/07/1039978907.db2.gz NNLRJDHUMWGOQO-SJKOYZFVSA-N 0 3 349.431 4.290 20 5 EIBDHN CCOc1cc(NC[C@H](N[C@@H](C)CC)c2ccco2)ccc1[N+](=O)[O-] ZINC000553262344 1040095645 /nfs/dbraw/zinc/09/56/45/1040095645.db2.gz QQQZQCSBXVQACI-ZFWWWQNUSA-N 0 3 347.415 4.128 20 5 EIBDHN C[C@@H]1CCC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562442 1040360896 /nfs/dbraw/zinc/36/08/96/1040360896.db2.gz XPEVXYQZNGANLT-DYVFJYSZSA-N 0 3 329.400 4.260 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](c4ccccc4)C3)co2)cc1 ZINC000089891090 1040527376 /nfs/dbraw/zinc/52/73/76/1040527376.db2.gz GVHDBCYFYJHNIS-KRWDZBQOSA-N 0 3 349.390 4.239 20 5 EIBDHN CC(C)CO[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000537724808 1040774821 /nfs/dbraw/zinc/77/48/21/1040774821.db2.gz FVXAPZVTJBUTAI-QGZVFWFLSA-N 0 3 344.411 4.102 20 5 EIBDHN Cc1c(CNCc2cccc(-c3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000480483359 1041323303 /nfs/dbraw/zinc/32/33/03/1041323303.db2.gz PNNBQHHVSOEOMT-UHFFFAOYSA-N 0 3 333.391 4.255 20 5 EIBDHN CC(C)N(CCC(=O)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000538623777 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KBLMVKYHQRZZOZ-AATRIKPKSA-N 0 3 332.350 4.411 20 5 EIBDHN CCOc1cc(CN[C@@H](CC)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492580209 1042701944 /nfs/dbraw/zinc/70/19/44/1042701944.db2.gz CJIKJWSULSVIOC-KRWDZBQOSA-N 0 3 344.411 4.243 20 5 EIBDHN COc1cc(CN[C@H](c2ccccc2C)C2CC2)ccc1[N+](=O)[O-] ZINC000492878104 1042763458 /nfs/dbraw/zinc/76/34/58/1042763458.db2.gz QMUWCYRIPGUJPC-IBGZPJMESA-N 0 3 326.396 4.153 20 5 EIBDHN O=[N+]([O-])c1ccccc1OCCN1CCCCC[C@H]1c1ccco1 ZINC000078830981 1043795401 /nfs/dbraw/zinc/79/54/01/1043795401.db2.gz KKIRCFAUHVCRDY-HNNXBMFYSA-N 0 3 330.384 4.184 20 5 EIBDHN O=[N+]([O-])c1ccccc1OCCN1CCCCC[C@@H]1c1ccco1 ZINC000078830968 1043795616 /nfs/dbraw/zinc/79/56/16/1043795616.db2.gz KKIRCFAUHVCRDY-OAHLLOKOSA-N 0 3 330.384 4.184 20 5 EIBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732988573 1044065298 /nfs/dbraw/zinc/06/52/98/1044065298.db2.gz IUXHUGRIUFBCBI-SFHVURJKSA-N 0 3 332.350 4.253 20 5 EIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000246483850 1044317837 /nfs/dbraw/zinc/31/78/37/1044317837.db2.gz AHOHHBNAHXWVSK-MGPQQGTHSA-N 0 3 344.415 4.074 20 5 EIBDHN CCCC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000543455170 1044635770 /nfs/dbraw/zinc/63/57/70/1044635770.db2.gz OYJGBGVYTVTIAY-INIZCTEOSA-N 0 3 344.415 4.093 20 5 EIBDHN CC(C)C[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123686112 1044753265 /nfs/dbraw/zinc/75/32/65/1044753265.db2.gz JVIVJBOLFCVJEE-INIZCTEOSA-N 0 3 344.415 4.045 20 5 EIBDHN CC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000611433621 1045308176 /nfs/dbraw/zinc/30/81/76/1045308176.db2.gz DRUSLVAVTJNCMW-MRXNPFEDSA-N 0 3 344.415 4.093 20 5 EIBDHN CC[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609234833 1045725789 /nfs/dbraw/zinc/72/57/89/1045725789.db2.gz RDAUOARGMIVXME-RISCZKNCSA-N 0 3 332.404 4.120 20 5 EIBDHN CN(C)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000791409501 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339.439 4.177 20 5 EIBDHN C[C@@H](CCCc1cccnc1)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000459641615 1046829942 /nfs/dbraw/zinc/82/99/42/1046829942.db2.gz RLVLIKBZTXNHAU-ZDUSSCGKSA-N 0 3 333.819 4.144 20 5 EIBDHN C[C@H](NC1(C2CCC2)CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459782030 1046882417 /nfs/dbraw/zinc/88/24/17/1046882417.db2.gz XBQOZCQLEVHFQV-LBPRGKRZSA-N 0 3 342.399 4.018 20 5 EIBDHN CC[C@@H](C)N(Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917455134 1046895034 /nfs/dbraw/zinc/89/50/34/1046895034.db2.gz RFJXJOIJSAMFRL-OAHLLOKOSA-N 0 3 338.411 4.203 20 5 EIBDHN CC[C@@H](C)N(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917454460 1046895409 /nfs/dbraw/zinc/89/54/09/1046895409.db2.gz IBRSGZQYSDCDMZ-OAHLLOKOSA-N 0 3 338.411 4.203 20 5 EIBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672706 1046986313 /nfs/dbraw/zinc/98/63/13/1046986313.db2.gz HFDJHDXENSISPR-ZIAGYGMSSA-N 0 3 328.865 4.354 20 5 EIBDHN C[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788649271 1047247080 /nfs/dbraw/zinc/24/70/80/1047247080.db2.gz RIOVPKYIICESMW-QFYYESIMSA-N 0 3 331.803 4.169 20 5 EIBDHN CC(C)c1ccc(CNC[C@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000918197677 1047368161 /nfs/dbraw/zinc/36/81/61/1047368161.db2.gz LGINXVXJDWKDJT-SFHVURJKSA-N 0 3 348.830 4.195 20 5 EIBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCC1(F)F ZINC000824799743 1047948646 /nfs/dbraw/zinc/94/86/46/1047948646.db2.gz QPHIZKQMMXEHGT-VIFPVBQESA-N 0 3 339.169 4.427 20 5 EIBDHN CCCO[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000556878468 1048085956 /nfs/dbraw/zinc/08/59/56/1048085956.db2.gz YZCMZRVYELNCOR-QGZVFWFLSA-N 0 3 334.460 4.499 20 5 EIBDHN Cc1c(CN(Cc2cccc(O)c2)CC2CC2)cccc1[N+](=O)[O-] ZINC000499063840 1048140029 /nfs/dbraw/zinc/14/00/29/1048140029.db2.gz NONQXCVJSZPYBP-UHFFFAOYSA-N 0 3 326.396 4.021 20 5 EIBDHN CCOC[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000810015783 1048601588 /nfs/dbraw/zinc/60/15/88/1048601588.db2.gz QGDOSABWMNGCTB-CYBMUJFWSA-N 0 3 335.231 4.052 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@]4(CC4(F)F)C3)o2)cc1 ZINC000846106474 1048822029 /nfs/dbraw/zinc/82/20/29/1048822029.db2.gz BQPCWQFQDBVLSS-KRWDZBQOSA-N 0 3 348.349 4.476 20 5 EIBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cc1Cl ZINC000811513236 1049125871 /nfs/dbraw/zinc/12/58/71/1049125871.db2.gz FDDSXNSHLFZPNY-QAPCUYQASA-N 0 3 346.814 4.258 20 5 EIBDHN CC[C@H](C)[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610002010 1049469213 /nfs/dbraw/zinc/46/92/13/1049469213.db2.gz TUTPRUXSCGAYIM-XJKSGUPXSA-N 0 3 344.415 4.045 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](Oc2ccccc2)C1 ZINC001171538548 1049733435 /nfs/dbraw/zinc/73/34/35/1049733435.db2.gz MOWJOZBKUMIJGY-QAPCUYQASA-N 0 3 326.396 4.118 20 5 EIBDHN CCC1(CNCc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC001177963159 1050331239 /nfs/dbraw/zinc/33/12/39/1050331239.db2.gz XZUTTXFDTJRHDW-UHFFFAOYSA-N 0 3 327.222 4.027 20 5 EIBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C3CCCC2CCC3)c1F ZINC001173191388 1050337984 /nfs/dbraw/zinc/33/79/84/1050337984.db2.gz DHSOHUFUWWRRIG-HSBZDZAISA-N 0 3 336.407 4.081 20 5 EIBDHN COc1cccc(F)c1[C@H](C)N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219570 1050353338 /nfs/dbraw/zinc/35/33/38/1050353338.db2.gz OAVLVJVKDYMSSX-STQMWFEESA-N 0 3 332.375 4.024 20 5 EIBDHN CSCc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001180663899 1051058486 /nfs/dbraw/zinc/05/84/86/1051058486.db2.gz ALXLZHVRQFFGFC-UHFFFAOYSA-N 0 3 330.453 4.483 20 5 EIBDHN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1cccc([N+](=O)[O-])c1C ZINC001181524511 1051244406 /nfs/dbraw/zinc/24/44/06/1051244406.db2.gz BOJVDGYSRZHDJC-GOSISDBHSA-N 0 3 342.443 4.360 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C(C)(C)C ZINC001192052739 1051624980 /nfs/dbraw/zinc/62/49/80/1051624980.db2.gz IVWAJVZEXBOJGL-UHFFFAOYSA-N 0 3 328.412 4.404 20 5 EIBDHN CC[C@@H]1CCC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001193403464 1051917342 /nfs/dbraw/zinc/91/73/42/1051917342.db2.gz XFNVLRNNWVOWMX-MFKMUULPSA-N 0 3 327.222 4.026 20 5 EIBDHN CC[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000090918588 1052782732 /nfs/dbraw/zinc/78/27/32/1052782732.db2.gz WUTQBLLHGPGVDG-DYVFJYSZSA-N 0 3 342.395 4.168 20 5 EIBDHN Cc1cncc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000122890233 1052788152 /nfs/dbraw/zinc/78/81/52/1052788152.db2.gz QPVCVHMTGGKWKK-UHFFFAOYSA-N 0 3 339.420 4.317 20 5 EIBDHN CCN(C[C@H](O)c1ccc(C)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285658 1053052135 /nfs/dbraw/zinc/05/21/35/1053052135.db2.gz YJKOQLKNTFYXJV-KXBFYZLASA-N 0 3 328.412 4.020 20 5 EIBDHN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001195393192 1053397259 /nfs/dbraw/zinc/39/72/59/1053397259.db2.gz AEQYSJWCFNHUBI-LJQANCHMSA-N 0 3 346.377 4.470 20 5 EIBDHN O=[N+]([O-])c1ccc(CCN2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC001196003965 1053552025 /nfs/dbraw/zinc/55/20/25/1053552025.db2.gz FLBRPZRGNVWVIJ-GOSISDBHSA-N 0 3 326.396 4.348 20 5 EIBDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000852783116 1053612309 /nfs/dbraw/zinc/61/23/09/1053612309.db2.gz WUDXLXHANDNZPP-ZIAGYGMSSA-N 0 3 326.396 4.332 20 5 EIBDHN Cc1c(CNCc2ccccc2COC(C)C)cccc1[N+](=O)[O-] ZINC000873008561 1054477310 /nfs/dbraw/zinc/47/73/10/1054477310.db2.gz OAVICKYOUYCOCX-UHFFFAOYSA-N 0 3 328.412 4.118 20 5 EIBDHN C[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858581635 1054529990 /nfs/dbraw/zinc/52/99/90/1054529990.db2.gz HJNWDESREZKSQO-QFYYESIMSA-N 0 3 331.803 4.169 20 5 EIBDHN CCC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878448559 1055314015 /nfs/dbraw/zinc/31/40/15/1055314015.db2.gz SYRITRFURPBWQA-UKRRQHHQSA-N 0 3 344.415 4.093 20 5 EIBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273409122 1055804195 /nfs/dbraw/zinc/80/41/95/1055804195.db2.gz HZWNMMWWHFWJDQ-MJGOQNOKSA-N 0 3 344.386 4.086 20 5 EIBDHN CS[C@@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000742382529 1058582404 /nfs/dbraw/zinc/58/24/04/1058582404.db2.gz CLUUPKOEXZNBPV-IUODEOHRSA-N 0 3 349.481 4.092 20 5 EIBDHN CCC[C@]1(COC)CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001169781097 1060967433 /nfs/dbraw/zinc/96/74/33/1060967433.db2.gz RSDAMPLURPHCCS-MRXNPFEDSA-N 0 3 326.824 4.029 20 5 EIBDHN O=[N+]([O-])c1cccc(OCCN2CCCCC[C@@H]2c2ccco2)c1 ZINC000078831613 217130289 /nfs/dbraw/zinc/13/02/89/217130289.db2.gz FTFJFMUVJGAHKV-QGZVFWFLSA-N 0 3 330.384 4.184 20 5 EIBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762323 1032134042 /nfs/dbraw/zinc/13/40/42/1032134042.db2.gz UHBWOXCVUVEKMY-STQMWFEESA-N 0 3 328.368 4.044 20 5 EIBDHN CCCNc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577649106 1018882780 /nfs/dbraw/zinc/88/27/80/1018882780.db2.gz SPKAFYAOVQGJGY-GOSISDBHSA-N 0 3 325.412 4.194 20 5 EIBDHN C[C@H](C1CC1)N(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001167261597 1020716541 /nfs/dbraw/zinc/71/65/41/1020716541.db2.gz CNFRXBWOBWYPDN-SNVBAGLBSA-N 0 3 339.233 4.120 20 5 EIBDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177229904 1020960697 /nfs/dbraw/zinc/96/06/97/1020960697.db2.gz QHBCBQHZCIKICO-HUUCEWRRSA-N 0 3 336.395 4.192 20 5 EIBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC001167332383 1021194095 /nfs/dbraw/zinc/19/40/95/1021194095.db2.gz KFZCHRKZOOWJAQ-QGZVFWFLSA-N 0 3 340.423 4.058 20 5 EIBDHN CC(C)c1ccc(CN2CCC(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000580006324 1021679459 /nfs/dbraw/zinc/67/94/59/1021679459.db2.gz VCURIHKRGNDFOH-UHFFFAOYSA-N 0 3 339.439 4.493 20 5 EIBDHN CC(C)OCc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580783233 1021815933 /nfs/dbraw/zinc/81/59/33/1021815933.db2.gz GKAARRFORKHVJM-LJQANCHMSA-N 0 3 340.423 4.297 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000177791273 1022208850 /nfs/dbraw/zinc/20/88/50/1022208850.db2.gz RXHIZTSHMUYHQM-CHWSQXEVSA-N 0 3 328.368 4.044 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc2ccccc2n1 ZINC000468647120 1022473577 /nfs/dbraw/zinc/47/35/77/1022473577.db2.gz HSPAXMIBOYUZGU-RVDMUPIBSA-N 0 3 333.391 4.336 20 5 EIBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133694 1023468983 /nfs/dbraw/zinc/46/89/83/1023468983.db2.gz CBVIPPNTAUSFOJ-UYAOXDASSA-N 0 3 340.423 4.195 20 5 EIBDHN O=[N+]([O-])c1ccc(CNCCCc2c[nH]c3ccc(F)cc23)c(F)c1 ZINC000337316523 1023543447 /nfs/dbraw/zinc/54/34/47/1023543447.db2.gz YNCDLJRJCKNERV-UHFFFAOYSA-N 0 3 345.349 4.077 20 5 EIBDHN CC(C)Oc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175985839 1023883697 /nfs/dbraw/zinc/88/36/97/1023883697.db2.gz FCSPMIHVVLLAJF-UHFFFAOYSA-N 0 3 328.412 4.407 20 5 EIBDHN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000510959898 1024865959 /nfs/dbraw/zinc/86/59/59/1024865959.db2.gz QHYXJDDKKBGQRY-SJKOYZFVSA-N 0 3 344.386 4.389 20 5 EIBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000136742302 1024971451 /nfs/dbraw/zinc/97/14/51/1024971451.db2.gz QKEBAXYDLJRFOD-AWEZNQCLSA-N 0 3 338.835 4.220 20 5 EIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000127565003 1026564288 /nfs/dbraw/zinc/56/42/88/1026564288.db2.gz AHOHHBNAHXWVSK-MCIONIFRSA-N 0 3 344.415 4.074 20 5 EIBDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000519776635 1026994497 /nfs/dbraw/zinc/99/44/97/1026994497.db2.gz LXZUFNRRGBBDHR-XZOAIXRZSA-N 0 3 346.814 4.429 20 5 EIBDHN C[C@H]1CC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000475569748 1027656133 /nfs/dbraw/zinc/65/61/33/1027656133.db2.gz HMRVWBCKOWSJJG-STQMWFEESA-N 0 3 331.441 4.244 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186697507 1027822717 /nfs/dbraw/zinc/82/27/17/1027822717.db2.gz AMRLLNXEWUFIGY-FOIQADDNSA-N 0 3 338.407 4.096 20 5 EIBDHN CC(C)O[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428310751 1027981920 /nfs/dbraw/zinc/98/19/20/1027981920.db2.gz IMVSADMFDKDZBO-DNVCBOLYSA-N 0 3 328.412 4.412 20 5 EIBDHN CC(C)[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000444749603 1028037027 /nfs/dbraw/zinc/03/70/27/1028037027.db2.gz UBNTYOMNQRJPGN-DZGCQCFKSA-N 0 3 344.415 4.074 20 5 EIBDHN CC[C@H]1CCCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536372446 1028199453 /nfs/dbraw/zinc/19/94/53/1028199453.db2.gz XTXYGUWRFUEKCJ-INIZCTEOSA-N 0 3 329.400 4.404 20 5 EIBDHN CN(C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000248007622 1029469124 /nfs/dbraw/zinc/46/91/24/1029469124.db2.gz OUAPXFPNYXJFEA-CYBMUJFWSA-N 0 3 325.821 4.025 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475281504 1029496983 /nfs/dbraw/zinc/49/69/83/1029496983.db2.gz PNBGXSSKBMLFIJ-SLSOJXQNSA-N 0 3 328.334 4.271 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4CCC[C@H]43)cs2)c1 ZINC000428451746 1029533999 /nfs/dbraw/zinc/53/39/99/1029533999.db2.gz FKKQQIOKMKOKLE-MLGOLLRUSA-N 0 3 329.425 4.093 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(Cc1ccccn1)C(C)C ZINC000527304343 1030608427 /nfs/dbraw/zinc/60/84/27/1030608427.db2.gz BQLZQPSASQMHJD-WJDWOHSUSA-N 0 3 325.412 4.304 20 5 EIBDHN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000451866312 1030746786 /nfs/dbraw/zinc/74/67/86/1030746786.db2.gz JLCCSNSZGOTTSX-KSSFIOAISA-N 0 3 325.412 4.217 20 5 EIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(O)cc2)s1 ZINC000102426505 1030773349 /nfs/dbraw/zinc/77/33/49/1030773349.db2.gz SRKSZSQXNVNVGQ-UHFFFAOYSA-N 0 3 340.404 4.319 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000485720114 1030817377 /nfs/dbraw/zinc/81/73/77/1030817377.db2.gz QNTZOWZLCFLKLH-INIZCTEOSA-N 0 3 338.329 4.339 20 5 EIBDHN Cc1cnc([C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000449174528 1031495152 /nfs/dbraw/zinc/49/51/52/1031495152.db2.gz YVBGJUPAYWYGGL-BDJLRTHQSA-N 0 3 331.441 4.032 20 5 EIBDHN COc1ccc(CN[C@H]2CC[C@@H](C)c3ccsc32)cc1[N+](=O)[O-] ZINC000453073684 1031556776 /nfs/dbraw/zinc/55/67/76/1031556776.db2.gz BXSRUCSEOQCZDK-RISCZKNCSA-N 0 3 332.425 4.393 20 5 EIBDHN Cc1cccc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000612578539 1031671895 /nfs/dbraw/zinc/67/18/95/1031671895.db2.gz TWTYQLRWAQGVPL-UHFFFAOYSA-N 0 3 339.439 4.288 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2nccs2)C1 ZINC000182726614 1034987238 /nfs/dbraw/zinc/98/72/38/1034987238.db2.gz XRCMJIABLYPHHC-KGLIPLIRSA-N 0 3 331.441 4.300 20 5 EIBDHN CCC[C@H](N[C@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595101403 1035587648 /nfs/dbraw/zinc/58/76/48/1035587648.db2.gz FLACTVLNCVIXOM-CCKFTAQKSA-N 0 3 328.412 4.148 20 5 EIBDHN CCOc1ccc([C@H](C)NCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000601320646 1036050150 /nfs/dbraw/zinc/05/01/50/1036050150.db2.gz IAMPLNZUWLRXBK-ZDUSSCGKSA-N 0 3 339.395 4.326 20 5 EIBDHN Cc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000485727972 1036212423 /nfs/dbraw/zinc/21/24/23/1036212423.db2.gz YLQIMTXGINKEJH-HNNXBMFYSA-N 0 3 338.329 4.339 20 5 EIBDHN CCC[C@H](C)[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802284 1036862972 /nfs/dbraw/zinc/86/29/72/1036862972.db2.gz WUWIAQGUIYBLLD-BBRMVZONSA-N 0 3 344.415 4.045 20 5 EIBDHN 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C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000442890936 1043886653 /nfs/dbraw/zinc/88/66/53/1043886653.db2.gz PUPMYELISFLGNQ-CYBMUJFWSA-N 0 3 326.352 4.071 20 5 EIBDHN COc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1C ZINC000192762225 1043965056 /nfs/dbraw/zinc/96/50/56/1043965056.db2.gz RXQBJRWDVUNBQY-GOSISDBHSA-N 0 3 326.396 4.079 20 5 EIBDHN C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173453712 1043974967 /nfs/dbraw/zinc/97/49/67/1043974967.db2.gz SONGFASTMBKZIP-GJZGRUSLSA-N 0 3 336.395 4.192 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]4CCC[C@H]43)co2)cc1 ZINC000245918251 1044213064 /nfs/dbraw/zinc/21/30/64/1044213064.db2.gz SHHYSXSLWGOPJG-SUMWQHHRSA-N 0 3 327.384 4.014 20 5 EIBDHN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000245977742 1044221133 /nfs/dbraw/zinc/22/11/33/1044221133.db2.gz AJSJHWMKOOZLFH-IGNZVWTISA-N 0 3 346.814 4.429 20 5 EIBDHN CC(C)(C)[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CS1 ZINC000754141659 1044331209 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EIBDHN Cc1c(CN2CCC[C@H]2Cc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC001195256802 1053349044 /nfs/dbraw/zinc/34/90/44/1053349044.db2.gz CQFKONKELBFJCU-KRWDZBQOSA-N 0 3 346.377 4.389 20 5 EIBDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776589573 1053575170 /nfs/dbraw/zinc/57/51/70/1053575170.db2.gz TVGRDIUJXZRUHC-KKXDTOCCSA-N 0 3 344.411 4.003 20 5 EIBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000853243187 1053659845 /nfs/dbraw/zinc/65/98/45/1053659845.db2.gz YUMNVSUNXVDJDV-UGSOOPFHSA-N 0 3 338.407 4.258 20 5 EIBDHN COc1cc(C)c([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000131354389 1053765351 /nfs/dbraw/zinc/76/53/51/1053765351.db2.gz VHBNMQGSEMXACB-AWEZNQCLSA-N 0 3 344.411 4.080 20 5 EIBDHN C[C@H](NCC1([C@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093844 1054388135 /nfs/dbraw/zinc/38/81/35/1054388135.db2.gz XJZIZMYWBMJRCI-XJKSGUPXSA-N 0 3 336.407 4.124 20 5 EIBDHN CC[C@H](NCc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001201769927 1054901853 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CC[C@@H](N[C@@H]1CCc2cc(F)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000511001632 1025409326 /nfs/dbraw/zinc/40/93/26/1025409326.db2.gz TZCFCQGAKUDUMD-QZTJIDSGSA-N 0 3 344.386 4.471 20 5 EIBDHN CC1(C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000550076123 1026017027 /nfs/dbraw/zinc/01/70/27/1026017027.db2.gz KWNOXLWFSJACMW-DLBZAZTESA-N 0 3 341.411 4.260 20 5 EIBDHN COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000178659478 1027276065 /nfs/dbraw/zinc/27/60/65/1027276065.db2.gz NIEKSUDMUIZNOA-CYBMUJFWSA-N 0 3 337.379 4.002 20 5 EIBDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC001167619969 1027374695 /nfs/dbraw/zinc/37/46/95/1027374695.db2.gz OGKUUKOJQZYGLV-HOCLYGCPSA-N 0 3 328.387 4.187 20 5 EIBDHN CCC[C@@H](NCc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000121423408 1027668583 /nfs/dbraw/zinc/66/85/83/1027668583.db2.gz HAUVKVYHZKFFAF-LJQANCHMSA-N 0 3 328.412 4.372 20 5 EIBDHN c1ccc2c(c1)cc(-c1noc([C@H]3NC[C@H]4C[C@H]43)n1)c1ccccc21 ZINC001211565706 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O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccccc3)cs2)c1 ZINC000113312805 1043262868 /nfs/dbraw/zinc/26/28/68/1043262868.db2.gz IFPHUYNLBOKGMX-UHFFFAOYSA-N 0 3 339.420 4.051 20 5 EIBDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000172855225 1043830782 /nfs/dbraw/zinc/83/07/82/1043830782.db2.gz FXDZFCBBFVHZQY-LSDHHAIUSA-N 0 3 336.395 4.192 20 5 EIBDHN CC[C@](C)(NCCCOc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000173947319 1044200180 /nfs/dbraw/zinc/20/01/80/1044200180.db2.gz VKDLACUHFVNHRE-KRWDZBQOSA-N 0 3 349.456 4.044 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]4CCC[C@H]43)co2)cc1 ZINC000245918249 1044212325 /nfs/dbraw/zinc/21/23/25/1044212325.db2.gz SHHYSXSLWGOPJG-CXAGYDPISA-N 0 3 327.384 4.014 20 5 EIBDHN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000246061824 1044230703 /nfs/dbraw/zinc/23/07/03/1044230703.db2.gz RHOPVCBVFMAQFE-IGNZVWTISA-N 0 3 346.814 4.429 20 5 EIBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1Cl)Oc1ccccc1 ZINC000734161765 1044506008 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CCOc1ccc([C@H](C)N[C@@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000153334799 1045515444 /nfs/dbraw/zinc/51/54/44/1045515444.db2.gz SYIFSHJQNHPEDB-YVEFUNNKSA-N 0 3 344.386 4.471 20 5 EIBDHN COCc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000193902311 1045541171 /nfs/dbraw/zinc/54/11/71/1045541171.db2.gz AMGQNHSCFJOKEM-KBPBESRZSA-N 0 3 344.411 4.162 20 5 EIBDHN O=[N+]([O-])c1cc(CNC2(c3ccccc3)CCOCC2)ccc1Cl ZINC000742372580 1045657795 /nfs/dbraw/zinc/65/77/95/1045657795.db2.gz DTYBXHYUAPBZEE-UHFFFAOYSA-N 0 3 346.814 4.044 20 5 EIBDHN CC[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609234832 1045726910 /nfs/dbraw/zinc/72/69/10/1045726910.db2.gz RDAUOARGMIVXME-FZMZJTMJSA-N 0 3 332.404 4.120 20 5 EIBDHN CCCCOc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788540849 1047219601 /nfs/dbraw/zinc/21/96/01/1047219601.db2.gz VZNQHIKXTXEABP-CQSZACIVSA-N 0 3 343.427 4.207 20 5 EIBDHN C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788624903 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CCCN(CCN(C)C)C(=O)c1c2ccccc2cc2ccccc21 ZINC001126321077 1026195544 /nfs/dbraw/zinc/19/55/44/1026195544.db2.gz JOFAPNNZHZJMCS-UHFFFAOYSA-N 0 3 334.463 4.407 20 5 EIBDHN O=[N+]([O-])c1cccc([C@@H](NCC2(C(F)F)CC2)c2ccccc2)c1 ZINC000479456949 1026817470 /nfs/dbraw/zinc/81/74/70/1026817470.db2.gz WTOMGGTYZVJGER-INIZCTEOSA-N 0 3 332.350 4.319 20 5 EIBDHN C[C@@H](N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642351 1026977003 /nfs/dbraw/zinc/97/70/03/1026977003.db2.gz FBVWDCRFHBAJAG-OXQOHEQNSA-N 0 3 339.439 4.083 20 5 EIBDHN COc1ccc(CN[C@@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000052035286 1027805107 /nfs/dbraw/zinc/80/51/07/1027805107.db2.gz GYUGLZVIPIWYMG-GOSISDBHSA-N 0 3 332.375 4.229 20 5 EIBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000052706385 1029426103 /nfs/dbraw/zinc/42/61/03/1029426103.db2.gz XLASHQUMAIRMOZ-AWEZNQCLSA-N 0 3 344.411 4.195 20 5 EIBDHN Cc1noc(C)c1[C@H](C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302077853 1029806316 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EIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000513067258 1034466159 /nfs/dbraw/zinc/46/61/59/1034466159.db2.gz DBAKDXPPIGOOJT-BRWVUGGUSA-N 0 3 346.452 4.097 20 5 EIBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cnc(C4CC4)s3)C2)cc1 ZINC000571629371 1034898111 /nfs/dbraw/zinc/89/81/11/1034898111.db2.gz IHQOGKWBEJDEJB-HNNXBMFYSA-N 0 3 343.452 4.308 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1csc(C(C)C)n1 ZINC000595040882 1035565164 /nfs/dbraw/zinc/56/51/64/1035565164.db2.gz PIUPYQXHBHYVIK-GFCCVEGCSA-N 0 3 349.456 4.077 20 5 EIBDHN CCC[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595088638 1035593091 /nfs/dbraw/zinc/59/30/91/1035593091.db2.gz KNLHOGDIBBZNBM-RBUKOAKNSA-N 0 3 326.396 4.419 20 5 EIBDHN CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000588845512 1036553859 /nfs/dbraw/zinc/55/38/59/1036553859.db2.gz IMUJRNRLTCRKTO-HNNXBMFYSA-N 0 3 349.456 4.158 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@]4(CC4(F)F)C3)o2)c1 ZINC000593696509 1036897773 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C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000535545420 1040348378 /nfs/dbraw/zinc/34/83/78/1040348378.db2.gz KLRZDAIRDNCPPC-KBPBESRZSA-N 0 3 329.400 4.118 20 5 EIBDHN C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)C1 ZINC000535545430 1040349097 /nfs/dbraw/zinc/34/90/97/1040349097.db2.gz KLRZDAIRDNCPPC-UONOGXRCSA-N 0 3 329.400 4.118 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(F)ccc31)CCC2 ZINC000192770194 1040532800 /nfs/dbraw/zinc/53/28/00/1040532800.db2.gz DCLHKYALQGGLEH-OALUTQOASA-N 0 3 326.371 4.388 20 5 EIBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(F)c1 ZINC000435741980 1040595263 /nfs/dbraw/zinc/59/52/63/1040595263.db2.gz LCRNYGMHUXWYSW-NNUKFRKNSA-N 0 3 336.313 4.048 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CN(CC3CC3)CC3CC3)cs2)c1 ZINC000539825795 1040822699 /nfs/dbraw/zinc/82/26/99/1040822699.db2.gz WDSAKPJXEZPZET-UHFFFAOYSA-N 0 3 343.452 4.340 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3(C4CC4)CCC3)cs2)c1 ZINC000538423640 1041325484 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CC(C)(C)C[C@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229419 1042851439 /nfs/dbraw/zinc/85/14/39/1042851439.db2.gz NMPCUHMTTCFQMD-OALUTQOASA-N 0 3 342.439 4.071 20 5 EIBDHN CCCC[C@H]1CCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704447 1042883934 /nfs/dbraw/zinc/88/39/34/1042883934.db2.gz JFMRTVBWARUUFB-XJKSGUPXSA-N 0 3 344.415 4.093 20 5 EIBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000133754763 1043299971 /nfs/dbraw/zinc/29/99/71/1043299971.db2.gz OFKXGVBLSMKHRI-BLLLJJGKSA-N 0 3 330.432 4.055 20 5 EIBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173453727 1043975418 /nfs/dbraw/zinc/97/54/18/1043975418.db2.gz SONGFASTMBKZIP-CABCVRRESA-N 0 3 336.395 4.192 20 5 EIBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732988572 1044063216 /nfs/dbraw/zinc/06/32/16/1044063216.db2.gz IUXHUGRIUFBCBI-GOSISDBHSA-N 0 3 332.350 4.253 20 5 EIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000246483828 1044317325 /nfs/dbraw/zinc/31/73/25/1044317325.db2.gz AHOHHBNAHXWVSK-HZSPNIEDSA-N 0 3 344.415 4.074 20 5 EIBDHN CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000193202492 1044739960 /nfs/dbraw/zinc/73/99/60/1044739960.db2.gz IAGMZNVRACXTON-UHFFFAOYSA-N 0 3 329.400 4.260 20 5 EIBDHN C[C@@H](NC[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154961016 1044851523 /nfs/dbraw/zinc/85/15/23/1044851523.db2.gz QUCHUVHGIOKEIE-CRAIPNDOSA-N 0 3 343.427 4.066 20 5 EIBDHN CC(C)C[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466670828 1044956777 /nfs/dbraw/zinc/95/67/77/1044956777.db2.gz KAVFPBJGLPSFQB-HNNXBMFYSA-N 0 3 344.415 4.045 20 5 EIBDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738312440 1045055803 /nfs/dbraw/zinc/05/58/03/1045055803.db2.gz OKNJWKLHEWEJSU-CABCVRRESA-N 0 3 328.387 4.420 20 5 EIBDHN COc1cc2c(cc1F)CC[C@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000509434139 1045159782 /nfs/dbraw/zinc/15/97/82/1045159782.db2.gz ZURSDNFYHYGSFF-XQDHMALISA-N 0 3 342.370 4.033 20 5 EIBDHN Cc1cc(NC[C@@H](C)c2nccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302126131 1045162284 /nfs/dbraw/zinc/16/22/84/1045162284.db2.gz IIQJPLQFSZGDPD-SNVBAGLBSA-N 0 3 328.397 4.124 20 5 EIBDHN O=[N+]([O-])c1ccccc1CN(C[C@H]1CCOc2ccccc21)C1CC1 ZINC000611254797 1045266611 /nfs/dbraw/zinc/26/66/11/1045266611.db2.gz MHULKYBJOPZFMN-OAHLLOKOSA-N 0 3 338.407 4.126 20 5 EIBDHN CO[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000611336749 1045284066 /nfs/dbraw/zinc/28/40/66/1045284066.db2.gz BTMRIVFVSZOLFQ-PXAZEXFGSA-N 0 3 334.803 4.287 20 5 EIBDHN COc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000194014096 1045569005 /nfs/dbraw/zinc/56/90/05/1045569005.db2.gz WDRCXUYKCXUMGT-LJQANCHMSA-N 0 3 326.396 4.153 20 5 EIBDHN CCC[C@@H](N[C@@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130467958 1046343237 /nfs/dbraw/zinc/34/32/37/1046343237.db2.gz MAAIQCLATKKPKC-QZTJIDSGSA-N 0 3 326.396 4.419 20 5 EIBDHN CSCc1cc(F)ccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629901 1047254985 /nfs/dbraw/zinc/25/49/85/1047254985.db2.gz XRRLIKQAIOUPPY-NSHDSACASA-N 0 3 349.431 4.030 20 5 EIBDHN CC(C)Oc1ccc([C@@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788639983 1047257285 /nfs/dbraw/zinc/25/72/85/1047257285.db2.gz DWWSPTMDSJBHTK-ZIAGYGMSSA-N 0 3 343.427 4.376 20 5 EIBDHN CC([C@H](OC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873848 1048751416 /nfs/dbraw/zinc/75/14/16/1048751416.db2.gz DYDLHDYCZAORED-PRXAMGSTSA-N 0 3 349.333 4.018 20 5 EIBDHN CC[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001171285916 1049058422 /nfs/dbraw/zinc/05/84/22/1049058422.db2.gz GEKFXVKYFRWZQW-DGCLKSJQSA-N 0 3 341.249 4.272 20 5 EIBDHN CCCCOCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472835 1049094354 /nfs/dbraw/zinc/09/43/54/1049094354.db2.gz OFJYLSJONQQMTM-UHFFFAOYSA-N 0 3 335.231 4.198 20 5 EIBDHN Cc1ccc([C@H]2CSCCN2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609706107 1049278345 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CC(C)(C)c1ccc(CCN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001180267133 1050940872 /nfs/dbraw/zinc/94/08/72/1050940872.db2.gz OZFRWVWHVXQIKE-UHFFFAOYSA-N 0 3 338.451 4.493 20 5 EIBDHN COc1cccc([C@@]2(C)CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC001174583809 1051069169 /nfs/dbraw/zinc/06/91/69/1051069169.db2.gz YLDUXAHCLLTWKX-FQEVSTJZSA-N 0 3 340.423 4.075 20 5 EIBDHN CC(C)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001180950527 1051119404 /nfs/dbraw/zinc/11/94/04/1051119404.db2.gz BWNJRRMFORTBLF-GFCCVEGCSA-N 0 3 330.350 4.482 20 5 EIBDHN C[C@@H](NCc1ccc(F)c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC001192672346 1051787887 /nfs/dbraw/zinc/78/78/87/1051787887.db2.gz GROVMPJLCABNRI-GFCCVEGCSA-N 0 3 325.343 4.133 20 5 EIBDHN CC[C@H]1Cc2ccccc2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193117736 1051873066 /nfs/dbraw/zinc/87/30/66/1051873066.db2.gz PJKFXLVNZYYLPE-SFHVURJKSA-N 0 3 340.423 4.201 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](c2nc(C)cs2)C1 ZINC001183671482 1051881016 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C[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858581636 1054529489 /nfs/dbraw/zinc/52/94/89/1054529489.db2.gz HJNWDESREZKSQO-QLJPJBMISA-N 0 3 331.803 4.169 20 5 EIBDHN CC(C)(C)CC[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001202158658 1055062948 /nfs/dbraw/zinc/06/29/48/1055062948.db2.gz OKNLUVLUYBJMSN-CQSZACIVSA-N 0 3 346.427 4.132 20 5 EIBDHN COCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccccc1 ZINC000542701514 1055842551 /nfs/dbraw/zinc/84/25/51/1055842551.db2.gz FVOIFGXROKMWJA-MRXNPFEDSA-N 0 3 328.412 4.113 20 5 EIBDHN Cc1ccc(N2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000743843592 1059136461 /nfs/dbraw/zinc/13/64/61/1059136461.db2.gz YXRHXTQKOMJUSI-QGZVFWFLSA-N 0 3 339.439 4.177 20 5 EIBDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000475742975 1032555335 /nfs/dbraw/zinc/55/53/35/1032555335.db2.gz VNJIWMRBVHCOEJ-MGPQQGTHSA-N 0 3 329.400 4.116 20 5 EIBDHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120729401 1020107485 /nfs/dbraw/zinc/10/74/85/1020107485.db2.gz BMAZQIHIYWDVKD-CJNGLKHVSA-N 0 3 344.415 4.045 20 5 EIBDHN CC[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)OC ZINC000580643734 1022339812 /nfs/dbraw/zinc/33/98/12/1022339812.db2.gz GQCDUMOVKVHZLE-GFCCVEGCSA-N 0 3 338.791 4.023 20 5 EIBDHN CC(C)OCc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580783232 1022501617 /nfs/dbraw/zinc/50/16/17/1022501617.db2.gz GKAARRFORKHVJM-IBGZPJMESA-N 0 3 340.423 4.297 20 5 EIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCCS2)c2ccccc2)c1 ZINC000180753309 1022812624 /nfs/dbraw/zinc/81/26/24/1022812624.db2.gz LQPDSNLNCRADJR-MSOLQXFVSA-N 0 3 328.437 4.169 20 5 EIBDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177551864 1022973346 /nfs/dbraw/zinc/97/33/46/1022973346.db2.gz FZWOCFFNQUYMSO-CJNGLKHVSA-N 0 3 337.379 4.114 20 5 EIBDHN O=[N+]([O-])c1cccc(CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000247339361 1023164504 /nfs/dbraw/zinc/16/45/04/1023164504.db2.gz RRYONIODJDASRC-UHFFFAOYSA-N 0 3 335.407 4.456 20 5 EIBDHN Cc1nc(C)c(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417317951 1023263231 /nfs/dbraw/zinc/26/32/31/1023263231.db2.gz XSSWJCASDYPXDR-INIZCTEOSA-N 0 3 331.441 4.225 20 5 EIBDHN Cc1cc(C)c(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417351225 1023276131 /nfs/dbraw/zinc/27/61/31/1023276131.db2.gz RMLXQLIFSMMWHX-LJQANCHMSA-N 0 3 325.412 4.164 20 5 EIBDHN COc1ccc(CN[C@@H](C)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000418107787 1023534579 /nfs/dbraw/zinc/53/45/79/1023534579.db2.gz FCELYSQPZKIZJE-ZDUSSCGKSA-N 0 3 326.396 4.332 20 5 EIBDHN CCOCc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122642136 1023749062 /nfs/dbraw/zinc/74/90/62/1023749062.db2.gz HWDUDNOUFHOSEP-OAHLLOKOSA-N 0 3 328.412 4.291 20 5 EIBDHN Cc1c([C@@H](C)NCc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000178281859 1023886823 /nfs/dbraw/zinc/88/68/23/1023886823.db2.gz VRWWTKWYFBMKSG-GFCCVEGCSA-N 0 3 336.338 4.355 20 5 EIBDHN Cc1cc(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n[nH]1 ZINC000610821169 1025053891 /nfs/dbraw/zinc/05/38/91/1025053891.db2.gz RVYRMKCQIZUZFB-LBPRGKRZSA-N 0 3 342.424 4.206 20 5 EIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762165 1025283549 /nfs/dbraw/zinc/28/35/49/1025283549.db2.gz UHBWOXCVUVEKMY-OLZOCXBDSA-N 0 3 328.368 4.044 20 5 EIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762476 1025284944 /nfs/dbraw/zinc/28/49/44/1025284944.db2.gz UHBWOXCVUVEKMY-CHWSQXEVSA-N 0 3 328.368 4.044 20 5 EIBDHN COc1ccc(C2(NCc3cccc([N+](=O)[O-])c3)CCCC2)cc1 ZINC000072961005 1025758659 /nfs/dbraw/zinc/75/86/59/1025758659.db2.gz OWMSHOGCKKZRFL-UHFFFAOYSA-N 0 3 326.396 4.163 20 5 EIBDHN CCC[C@H](NCc1ccc(OC)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178530455 1026038848 /nfs/dbraw/zinc/03/88/48/1026038848.db2.gz CYCYILVQLJNYFT-KRWDZBQOSA-N 0 3 332.375 4.374 20 5 EIBDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000478501736 1026571747 /nfs/dbraw/zinc/57/17/47/1026571747.db2.gz RZGKIGJIDLIWPI-SFHVURJKSA-N 0 3 340.423 4.424 20 5 EIBDHN C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640767 1026968672 /nfs/dbraw/zinc/96/86/72/1026968672.db2.gz WSYBPEQEAOIOBN-LLVKDONJSA-N 0 3 340.301 4.344 20 5 EIBDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611554146 1027009845 /nfs/dbraw/zinc/00/98/45/1027009845.db2.gz GDKVGHJYGUSMTG-STQMWFEESA-N 0 3 346.349 4.027 20 5 EIBDHN COc1ccccc1C[C@H](C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441414662 1027536084 /nfs/dbraw/zinc/53/60/84/1027536084.db2.gz KLKOCZBFQMTZAV-ZDUSSCGKSA-N 0 3 348.830 4.320 20 5 EIBDHN Cc1c(CN2CCC(COc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000065612475 1027563346 /nfs/dbraw/zinc/56/33/46/1027563346.db2.gz SUZGBXCKYLCMSV-UHFFFAOYSA-N 0 3 340.423 4.194 20 5 EIBDHN CC[C@@H](N[C@H](C)c1ccc([S@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000161620113 1027648132 /nfs/dbraw/zinc/64/81/32/1027648132.db2.gz LWQUDEXYKCAQAB-ADCPOJHVSA-N 0 3 346.452 4.134 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248669095 1029133953 /nfs/dbraw/zinc/13/39/53/1029133953.db2.gz AMRLLNXEWUFIGY-QRWLVFNGSA-N 0 3 338.407 4.096 20 5 EIBDHN Cc1c(CN2CCC[C@@H]2c2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000524755988 1029205483 /nfs/dbraw/zinc/20/54/83/1029205483.db2.gz FLOBTYSKUANYRX-HXUWFJFHSA-N 0 3 339.439 4.306 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475281501 1029495589 /nfs/dbraw/zinc/49/55/89/1029495589.db2.gz PNBGXSSKBMLFIJ-SEOWSWFZSA-N 0 3 328.334 4.271 20 5 EIBDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000090804341 1029869477 /nfs/dbraw/zinc/86/94/77/1029869477.db2.gz NOWNRGXJCVYGCV-BXWFABGCSA-N 0 3 340.423 4.413 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCSC3)o2)c(Cl)c1 ZINC000527240875 1030572147 /nfs/dbraw/zinc/57/21/47/1030572147.db2.gz JDBIKNJGTQJHSV-JTQLQIEISA-N 0 3 338.816 4.103 20 5 EIBDHN Cc1nc(C(C)C)oc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553101 1030572845 /nfs/dbraw/zinc/57/28/45/1030572845.db2.gz XHLPCJCHFMVATJ-INIZCTEOSA-N 0 3 343.427 4.394 20 5 EIBDHN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451863604 1030748126 /nfs/dbraw/zinc/74/81/26/1030748126.db2.gz FZWVPQXKROZTCN-KSSFIOAISA-N 0 3 325.412 4.217 20 5 EIBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(C(C)(C)C)cs1 ZINC000449128808 1031467659 /nfs/dbraw/zinc/46/76/59/1031467659.db2.gz AVVATJAXWMYBNU-LBPRGKRZSA-N 0 3 333.457 4.070 20 5 EIBDHN CCC(CC)c1cc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449173299 1031494237 /nfs/dbraw/zinc/49/42/37/1031494237.db2.gz XDLKGOIHIBDVRT-ZDUSSCGKSA-N 0 3 331.416 4.207 20 5 EIBDHN CC(C)c1ccc(CN[C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000513028247 1034337234 /nfs/dbraw/zinc/33/72/34/1034337234.db2.gz XHLWPNXLRYNYAW-ZDUSSCGKSA-N 0 3 338.411 4.445 20 5 EIBDHN COc1cccc(C2(NCc3ccc([N+](=O)[O-])cc3C)CCC2)c1 ZINC000594997107 1035526682 /nfs/dbraw/zinc/52/66/82/1035526682.db2.gz HJIYYXHDPRDRAM-UHFFFAOYSA-N 0 3 326.396 4.081 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCCC1(F)F ZINC000595039721 1035564235 /nfs/dbraw/zinc/56/42/35/1035564235.db2.gz BGCKXPLVUQIIJH-RYUDHWBXSA-N 0 3 328.359 4.080 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCCC1(F)F ZINC000595039719 1035564346 /nfs/dbraw/zinc/56/43/46/1035564346.db2.gz BGCKXPLVUQIIJH-NEPJUHHUSA-N 0 3 328.359 4.080 20 5 EIBDHN CCC[C@H](N[C@@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595101416 1035589652 /nfs/dbraw/zinc/58/96/52/1035589652.db2.gz FLACTVLNCVIXOM-MDASCCDHSA-N 0 3 328.412 4.148 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H]2CCCCO2)CC1 ZINC000595781678 1035793716 /nfs/dbraw/zinc/79/37/16/1035793716.db2.gz FMWQROUOUFQYRJ-BEFAXECRSA-N 0 3 332.444 4.245 20 5 EIBDHN Cc1ccc([C@@H](C)NCc2cc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486715781 1036824069 /nfs/dbraw/zinc/82/40/69/1036824069.db2.gz WUFUCPUEDSESCP-GFCCVEGCSA-N 0 3 327.359 4.374 20 5 EIBDHN COc1cc(CN(C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603553587 1036882046 /nfs/dbraw/zinc/88/20/46/1036882046.db2.gz DNSALSMXEBDDHB-SNVBAGLBSA-N 0 3 346.374 4.071 20 5 EIBDHN COCCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 ZINC000590155850 1036994621 /nfs/dbraw/zinc/99/46/21/1036994621.db2.gz KFWKNWVKRTVTGI-UHFFFAOYSA-N 0 3 346.349 4.005 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H]1OCCc2ccccc21 ZINC000489150027 1037882743 /nfs/dbraw/zinc/88/27/43/1037882743.db2.gz AJPDUKOAJQBGSI-FOIQADDNSA-N 0 3 340.423 4.210 20 5 EIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000490017009 1038315065 /nfs/dbraw/zinc/31/50/65/1038315065.db2.gz XESOBGCVZMUMIK-CRAIPNDOSA-N 0 3 325.412 4.232 20 5 EIBDHN COc1ccc(CN[C@@H](C)c2cc(C)c(C)cc2C)cc1[N+](=O)[O-] ZINC000539075739 1038823544 /nfs/dbraw/zinc/82/35/44/1038823544.db2.gz KHELEWHWSBOCPB-HNNXBMFYSA-N 0 3 328.412 4.379 20 5 EIBDHN COc1ccc(CN[C@H]2C[C@H](C)c3c2cccc3C)cc1[N+](=O)[O-] ZINC000504911290 1038849101 /nfs/dbraw/zinc/84/91/01/1038849101.db2.gz DKUNLUXYHDXPTA-BBRMVZONSA-N 0 3 326.396 4.250 20 5 EIBDHN Cc1c([C@H](C)NCc2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000089520282 1038873556 /nfs/dbraw/zinc/87/35/56/1038873556.db2.gz SBZPPNPCPRPPOB-LBPRGKRZSA-N 0 3 336.338 4.355 20 5 EIBDHN CC(C)Oc1ccccc1[C@@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000539227329 1038892703 /nfs/dbraw/zinc/89/27/03/1038892703.db2.gz ZRRBBKGLRZTCQK-OAHLLOKOSA-N 0 3 344.411 4.112 20 5 EIBDHN O=[N+]([O-])c1cc(CNCCCO[C@@H]2CCCc3ccccc32)cs1 ZINC000237973081 1039577380 /nfs/dbraw/zinc/57/73/80/1039577380.db2.gz ZDCTZZYEXMQHCO-QGZVFWFLSA-N 0 3 346.452 4.230 20 5 EIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707046 1039755433 /nfs/dbraw/zinc/75/54/33/1039755433.db2.gz MLEHOYKOORONNB-QRWLVFNGSA-N 0 3 338.407 4.177 20 5 EIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707047 1039760966 /nfs/dbraw/zinc/76/09/66/1039760966.db2.gz MLEHOYKOORONNB-YWZLYKJASA-N 0 3 338.407 4.177 20 5 EIBDHN C[C@H]1CCC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562443 1040361724 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ZINC000182148497 1026607234 /nfs/dbraw/zinc/60/72/34/1026607234.db2.gz FSCBXSFHNYYUDU-ZIAGYGMSSA-N 0 3 341.411 4.273 20 5 EIBDHN COCc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000507152746 1026672943 /nfs/dbraw/zinc/67/29/43/1026672943.db2.gz YWSMVEQGYIBTRC-UHFFFAOYSA-N 0 3 328.412 4.152 20 5 EIBDHN CC(C)[C@@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507190407 1026695294 /nfs/dbraw/zinc/69/52/94/1026695294.db2.gz ZFUWZQOFGVBCTF-INIZCTEOSA-N 0 3 331.441 4.339 20 5 EIBDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660783 1027264944 /nfs/dbraw/zinc/26/49/44/1027264944.db2.gz XCQAKBHHNLLOLT-LSDHHAIUSA-N 0 3 336.395 4.192 20 5 EIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)CC(C)(C)C1 ZINC000612134823 1027433341 /nfs/dbraw/zinc/43/33/41/1027433341.db2.gz CWRGZEWZOJFCJU-QWHCGFSZSA-N 0 3 344.415 4.074 20 5 EIBDHN CC[C@@H]1CCCC[C@H]1N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444675375 1027956427 /nfs/dbraw/zinc/95/64/27/1027956427.db2.gz LWGOMLJRJCYQEH-CZUORRHYSA-N 0 3 344.415 4.045 20 5 EIBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000522558079 1028005285 /nfs/dbraw/zinc/00/52/85/1028005285.db2.gz UMJGRKVCYHQPDB-QGZVFWFLSA-N 0 3 330.815 4.238 20 5 EIBDHN O=[N+]([O-])c1cc(Cl)ccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000441451538 1028008940 /nfs/dbraw/zinc/00/89/40/1028008940.db2.gz NPMZTLRWGBFLDG-MRXNPFEDSA-N 0 3 338.835 4.172 20 5 EIBDHN CCCC[C@@H](COC)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000522961913 1029134418 /nfs/dbraw/zinc/13/44/18/1029134418.db2.gz LWMMXFCDHJMJKH-HNNXBMFYSA-N 0 3 332.400 4.150 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(OC(F)F)cc1 ZINC000532460310 1029277046 /nfs/dbraw/zinc/27/70/46/1029277046.db2.gz BLIJSQZWFZPCIH-GFCCVEGCSA-N 0 3 336.338 4.355 20 5 EIBDHN COc1ccc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544877 1030148706 /nfs/dbraw/zinc/14/87/06/1030148706.db2.gz WVGZMJFYBCZSBM-ORAYPTAESA-N 0 3 326.396 4.332 20 5 EIBDHN CCCc1nc(C)c(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451554469 1030572761 /nfs/dbraw/zinc/57/27/61/1030572761.db2.gz ZVYQAZVAEVYISY-MRXNPFEDSA-N 0 3 343.427 4.223 20 5 EIBDHN Cc1c(CN[C@@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179591165 1031224081 /nfs/dbraw/zinc/22/40/81/1031224081.db2.gz QBFGNSRDUQMGIZ-LBPRGKRZSA-N 0 3 336.338 4.355 20 5 EIBDHN Cc1cc(-c2noc([C@H]3CCCN3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453300696 1031818452 /nfs/dbraw/zinc/81/84/52/1031818452.db2.gz ZKYNYNUGXQJJQV-MRXNPFEDSA-N 0 3 342.399 4.033 20 5 EIBDHN CCCCC[C@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000532013927 1031975438 /nfs/dbraw/zinc/97/54/38/1031975438.db2.gz INRPGBWBFXSJDH-INIZCTEOSA-N 0 3 334.416 4.006 20 5 EIBDHN CCCCC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000532013928 1031975867 /nfs/dbraw/zinc/97/58/67/1031975867.db2.gz INRPGBWBFXSJDH-MRXNPFEDSA-N 0 3 334.416 4.006 20 5 EIBDHN Cc1ccc(Nc2cccc3c2OCC[C@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000432923442 1033426140 /nfs/dbraw/zinc/42/61/40/1033426140.db2.gz GAGBMBOKZJOUEW-MRXNPFEDSA-N 0 3 327.384 4.032 20 5 EIBDHN CC1(C)C[C@@H](NCc2ccc3c(c2)COC3)c2cc([N+](=O)[O-])ccc21 ZINC000433294231 1034189060 /nfs/dbraw/zinc/18/90/60/1034189060.db2.gz KLRPWLBLSZIKMH-LJQANCHMSA-N 0 3 338.407 4.137 20 5 EIBDHN CC1(C)C[C@H](N[C@@H](c2cccnc2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304339 1034198560 /nfs/dbraw/zinc/19/85/60/1034198560.db2.gz MYNHMYUKCSFSQI-RBUKOAKNSA-N 0 3 337.423 4.453 20 5 EIBDHN O=[N+]([O-])c1cccc(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000060356363 1036042757 /nfs/dbraw/zinc/04/27/57/1036042757.db2.gz WGUDLACBPCFLID-UHFFFAOYSA-N 0 3 328.387 4.189 20 5 EIBDHN CCOc1cc(CNC(C)(C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000571823934 1036249496 /nfs/dbraw/zinc/24/94/96/1036249496.db2.gz ALNGTUJPBDSYFI-UHFFFAOYSA-N 0 3 328.412 4.327 20 5 EIBDHN CC(C)CC[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486779736 1036851586 /nfs/dbraw/zinc/85/15/86/1036851586.db2.gz NRMCFTWVRXIYDE-OAHLLOKOSA-N 0 3 344.415 4.045 20 5 EIBDHN COc1ccc(CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000057601234 1037135421 /nfs/dbraw/zinc/13/54/21/1037135421.db2.gz MEMPMRJQRVMIMP-HNNXBMFYSA-N 0 3 340.423 4.404 20 5 EIBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000604012540 1037146149 /nfs/dbraw/zinc/14/61/49/1037146149.db2.gz NXQIKXYRIDWOSK-LJQANCHMSA-N 0 3 344.386 4.340 20 5 EIBDHN COc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)ccc1[N+](=O)[O-] ZINC000489990995 1038307676 /nfs/dbraw/zinc/30/76/76/1038307676.db2.gz TWLIFCSLVSHDCT-IBGZPJMESA-N 0 3 344.386 4.374 20 5 EIBDHN CSCc1cc(F)ccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496558 1038347202 /nfs/dbraw/zinc/34/72/02/1038347202.db2.gz NZPDOIMNXHZPSI-QGZVFWFLSA-N 0 3 346.427 4.374 20 5 EIBDHN O=[N+]([O-])c1cc(CN(CC2CCCCC2)C2CC2)c2c(c1)COCO2 ZINC000059391059 1038480772 /nfs/dbraw/zinc/48/07/72/1038480772.db2.gz MHEWGHHUGJNRGY-UHFFFAOYSA-N 0 3 346.427 4.006 20 5 EIBDHN CCOc1ccc([C@@H](C)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000504921184 1038844660 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EIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000481707042 1039759715 /nfs/dbraw/zinc/75/97/15/1039759715.db2.gz MLEHOYKOORONNB-FOIQADDNSA-N 0 3 338.407 4.177 20 5 EIBDHN CC[C@@H]1[C@H](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482497109 1040291866 /nfs/dbraw/zinc/29/18/66/1040291866.db2.gz YMCYORPMORZZDG-MLGOLLRUSA-N 0 3 331.441 4.339 20 5 EIBDHN C[C@H]1CCC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562444 1040362164 /nfs/dbraw/zinc/36/21/64/1040362164.db2.gz XPEVXYQZNGANLT-SUMWQHHRSA-N 0 3 329.400 4.260 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3C3CCC3)co2)cc1 ZINC000089892802 1040515864 /nfs/dbraw/zinc/51/58/64/1040515864.db2.gz MRNHJYIRLMFUPF-KRWDZBQOSA-N 0 3 327.384 4.014 20 5 EIBDHN COc1ccc(CN[C@@H]2c3ccccc3CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000462542521 1040717105 /nfs/dbraw/zinc/71/71/05/1040717105.db2.gz MVHUKJGJTJQHPH-VLIAUNLRSA-N 0 3 340.423 4.407 20 5 EIBDHN CCC[C@@H](N[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161033804 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3 326.371 4.388 20 5 EIBDHN CCC[C@H](C)[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135337350 1023866456 /nfs/dbraw/zinc/86/64/56/1023866456.db2.gz WCQKZVGPNKDVAO-BBRMVZONSA-N 0 3 344.415 4.045 20 5 EIBDHN COc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000104696814 1024470943 /nfs/dbraw/zinc/47/09/43/1024470943.db2.gz ZSOULBGHBIRIOZ-LJQANCHMSA-N 0 3 326.396 4.234 20 5 EIBDHN Cc1ncc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000105448498 1025371347 /nfs/dbraw/zinc/37/13/47/1025371347.db2.gz OHFSXIIUYJVZCU-UHFFFAOYSA-N 0 3 345.449 4.378 20 5 EIBDHN COc1ccc([C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000178532104 1026048012 /nfs/dbraw/zinc/04/80/12/1026048012.db2.gz PHZMVFOMPWBJNC-BFUOFWGJSA-N 0 3 326.396 4.405 20 5 EIBDHN O=[N+]([O-])c1ccc(-c2cnn(CN(C3CC3)C3CCCCC3)c2)cc1 ZINC000728896826 1026191021 /nfs/dbraw/zinc/19/10/21/1026191021.db2.gz MEJQYJSANWPTFV-UHFFFAOYSA-N 0 3 340.427 4.213 20 5 EIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N(C)C ZINC000507170832 1026684562 /nfs/dbraw/zinc/68/45/62/1026684562.db2.gz QMMKMVPOTHKZPT-UHFFFAOYSA-N 0 3 327.428 4.071 20 5 EIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](COc2ccccc2)C1 ZINC000507706236 1026882166 /nfs/dbraw/zinc/88/21/66/1026882166.db2.gz GWYQPYMVTCLHPF-QLBOMPFWSA-N 0 3 338.407 4.009 20 5 EIBDHN CC(C)O[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428310753 1027984201 /nfs/dbraw/zinc/98/42/01/1027984201.db2.gz IMVSADMFDKDZBO-HNAYVOBHSA-N 0 3 328.412 4.412 20 5 EIBDHN COc1ccc([C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C2CC2)cc1 ZINC000584361491 1029763358 /nfs/dbraw/zinc/76/33/58/1029763358.db2.gz SDDIUOYLLYNQJJ-AZUAARDMSA-N 0 3 338.407 4.332 20 5 EIBDHN CO[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525696087 1029928178 /nfs/dbraw/zinc/92/81/78/1029928178.db2.gz MOOIOJFTCLERQE-KRWDZBQOSA-N 0 3 334.803 4.034 20 5 EIBDHN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000130131042 1031135493 /nfs/dbraw/zinc/13/54/93/1031135493.db2.gz WKRAEWKJAZOVNR-GUTXKFCHSA-N 0 3 331.441 4.113 20 5 EIBDHN Cc1sc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])nc1C(C)C ZINC000449119893 1031457587 /nfs/dbraw/zinc/45/75/87/1031457587.db2.gz ARHQVZNVZVHKDQ-GFCCVEGCSA-N 0 3 333.457 4.204 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000612577462 1031673943 /nfs/dbraw/zinc/67/39/43/1031673943.db2.gz SDQSDZFXGMVKQJ-GOSISDBHSA-N 0 3 328.437 4.193 20 5 EIBDHN CN(CCc1ccc(Br)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000518057997 1033310796 /nfs/dbraw/zinc/31/07/96/1033310796.db2.gz XRHGAGALXUQWAA-UHFFFAOYSA-N 0 3 349.228 4.032 20 5 EIBDHN COc1cc(C)cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433302193 1034196113 /nfs/dbraw/zinc/19/61/13/1034196113.db2.gz HRJDFEOIICNCBQ-LJQANCHMSA-N 0 3 340.423 4.424 20 5 EIBDHN CN1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000473518906 1034679256 /nfs/dbraw/zinc/67/92/56/1034679256.db2.gz MYHSLWFUFZJFLR-HKUYNNGSSA-N 0 3 348.406 4.000 20 5 EIBDHN CCC(C)(C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1Br ZINC000710124413 1035203622 /nfs/dbraw/zinc/20/36/22/1035203622.db2.gz VZAOYDWWUXJVAF-SNVBAGLBSA-N 0 3 329.238 4.272 20 5 EIBDHN CCc1cc(OC)ccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000501468691 1035449458 /nfs/dbraw/zinc/44/94/58/1035449458.db2.gz CMQANHCBSKDDBG-AWEZNQCLSA-N 0 3 328.412 4.325 20 5 EIBDHN COc1cccc(C2(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])CCC2)c1 ZINC000595093961 1035603475 /nfs/dbraw/zinc/60/34/75/1035603475.db2.gz QIHUXKQAAUROPD-GOSISDBHSA-N 0 3 338.407 4.260 20 5 EIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055103184 1035887223 /nfs/dbraw/zinc/88/72/23/1035887223.db2.gz NEICFJHLVZQOEL-AWEZNQCLSA-N 0 3 326.396 4.241 20 5 EIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(F)cn2)CC1 ZINC000602905884 1036669263 /nfs/dbraw/zinc/66/92/63/1036669263.db2.gz VCOAKXCPCCZPGC-ZDUSSCGKSA-N 0 3 329.375 4.070 20 5 EIBDHN C[C@@H](CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000603057004 1036715176 /nfs/dbraw/zinc/71/51/76/1036715176.db2.gz YBAOMPHPVZFQBZ-QWHCGFSZSA-N 0 3 346.431 4.320 20 5 EIBDHN C[C@@H]1SCC[C@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592397134 1037970945 /nfs/dbraw/zinc/97/09/45/1037970945.db2.gz DCSWHYFUWSMWAJ-VHSSKADRSA-N 0 3 328.437 4.168 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc3c1CCCN3)CCC2 ZINC000423420379 1038209490 /nfs/dbraw/zinc/20/94/90/1038209490.db2.gz WUKJVGUMGOQQGZ-HXUWFJFHSA-N 0 3 337.423 4.120 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](Nc2ccccc2)C1 ZINC000489975393 1038293763 /nfs/dbraw/zinc/29/37/63/1038293763.db2.gz DFXYMEBPFGTKIG-DOTOQJQBSA-N 0 3 325.412 4.151 20 5 EIBDHN C[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000173403343 1038311534 /nfs/dbraw/zinc/31/15/34/1038311534.db2.gz QPIFCDCPRAHOFW-VLIAUNLRSA-N 0 3 336.391 4.132 20 5 EIBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594490659 1038343012 /nfs/dbraw/zinc/34/30/12/1038343012.db2.gz OPRCQNYTWVWCNR-FZKQIMNGSA-N 0 3 326.396 4.332 20 5 EIBDHN CCOc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594490658 1038344208 /nfs/dbraw/zinc/34/42/08/1038344208.db2.gz OPRCQNYTWVWCNR-ACJLOTCBSA-N 0 3 326.396 4.332 20 5 EIBDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000481395266 1039380920 /nfs/dbraw/zinc/38/09/20/1039380920.db2.gz ZPQUKYCGRLFUID-PXAZEXFGSA-N 0 3 334.803 4.114 20 5 EIBDHN O=[N+]([O-])c1cc(CNCCCO[C@H]2CCCc3ccccc32)cs1 ZINC000237973112 1039577556 /nfs/dbraw/zinc/57/75/56/1039577556.db2.gz ZDCTZZYEXMQHCO-KRWDZBQOSA-N 0 3 346.452 4.230 20 5 EIBDHN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000192640692 1039857486 /nfs/dbraw/zinc/85/74/86/1039857486.db2.gz MNIDTCZUZFABEX-PXAZEXFGSA-N 0 3 340.379 4.052 20 5 EIBDHN CCOc1cc(NC[C@@H](N[C@@H](C)CC)c2ccco2)ccc1[N+](=O)[O-] ZINC000553262341 1040095027 /nfs/dbraw/zinc/09/50/27/1040095027.db2.gz QQQZQCSBXVQACI-DZGCQCFKSA-N 0 3 347.415 4.128 20 5 EIBDHN C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000535545428 1040347758 /nfs/dbraw/zinc/34/77/58/1040347758.db2.gz KLRZDAIRDNCPPC-KGLIPLIRSA-N 0 3 329.400 4.118 20 5 EIBDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539507828 1040500078 /nfs/dbraw/zinc/50/00/78/1040500078.db2.gz JXZNTBLQQRDAIO-KSMMKXTCSA-N 0 3 346.402 4.469 20 5 EIBDHN C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000479604348 1040504970 /nfs/dbraw/zinc/50/49/70/1040504970.db2.gz TVSYTDSAMSNSEQ-SNVBAGLBSA-N 0 3 328.290 4.143 20 5 EIBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000435752034 1040583810 /nfs/dbraw/zinc/58/38/10/1040583810.db2.gz VRUPEEJOJFGSSG-CTYIDZIISA-N 0 3 334.778 4.423 20 5 EIBDHN Cc1ccc([C@H](C)NCc2cc3c(cccc3F)[nH]2)cc1[N+](=O)[O-] ZINC000436311706 1041099169 /nfs/dbraw/zinc/09/91/69/1041099169.db2.gz UAPPSXXFRBVJAO-LBPRGKRZSA-N 0 3 327.359 4.374 20 5 EIBDHN CC[C@@H](C)N[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557695307 1041921350 /nfs/dbraw/zinc/92/13/50/1041921350.db2.gz VOSFQRMAQXZHAG-YGRLFVJLSA-N 0 3 339.342 4.007 20 5 EIBDHN C[C@H]1C[C@H](c2ccccc2F)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464729242 1042143352 /nfs/dbraw/zinc/14/33/52/1042143352.db2.gz DDMQSTAPTZYJBE-KBXCAEBGSA-N 0 3 344.386 4.196 20 5 EIBDHN CC(C)COCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491369403 1042435089 /nfs/dbraw/zinc/43/50/89/1042435089.db2.gz UHQFUBCDUVZBRR-FQEVSTJZSA-N 0 3 342.439 4.337 20 5 EIBDHN CCOc1ccc([C@H](C)NC[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000153120137 1042492719 /nfs/dbraw/zinc/49/27/19/1042492719.db2.gz BBTGNSQHGVZYQH-LIRRHRJNSA-N 0 3 344.411 4.032 20 5 EIBDHN CC[C@H](C)[C@](C)(O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492223226 1042584584 /nfs/dbraw/zinc/58/45/84/1042584584.db2.gz KGZHTAYINVXCFH-CWFSZBLJSA-N 0 3 342.439 4.071 20 5 EIBDHN CO[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000493038869 1042799212 /nfs/dbraw/zinc/79/92/12/1042799212.db2.gz WXSTWKWVMNJIFN-RBUKOAKNSA-N 0 3 342.439 4.335 20 5 EIBDHN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCCSC2)c2ccccc2)c1 ZINC000493249572 1042889273 /nfs/dbraw/zinc/88/92/73/1042889273.db2.gz QITBWCUUWYTCRB-WMZOPIPTSA-N 0 3 328.437 4.169 20 5 EIBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000133754987 1043300951 /nfs/dbraw/zinc/30/09/51/1043300951.db2.gz OFKXGVBLSMKHRI-WBMJQRKESA-N 0 3 330.432 4.055 20 5 EIBDHN O=[N+]([O-])c1ccc(CCN(Cc2ccco2)Cc2ccccc2)cc1 ZINC000059384454 1043357673 /nfs/dbraw/zinc/35/76/73/1043357673.db2.gz OJFOISYZNNBCCY-UHFFFAOYSA-N 0 3 336.391 4.433 20 5 EIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOC2CCCCC2)o1 ZINC000520957700 1043458924 /nfs/dbraw/zinc/45/89/24/1043458924.db2.gz UFLNHLQMVIICEI-UHFFFAOYSA-N 0 3 344.411 4.294 20 5 EIBDHN C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245382460 1043879459 /nfs/dbraw/zinc/87/94/59/1043879459.db2.gz JIYCEESDFLUFNN-WFGGJUAMSA-N 0 3 344.415 4.120 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CCCCC3)cs2)c1 ZINC000522196091 1044370025 /nfs/dbraw/zinc/37/00/25/1044370025.db2.gz PERFCXRUWWWOGD-UHFFFAOYSA-N 0 3 331.441 4.388 20 5 EIBDHN CN1CCC[C@H](CNc2sccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301998249 1044662080 /nfs/dbraw/zinc/66/20/80/1044662080.db2.gz IFRBMDFWHJLNBH-RISCZKNCSA-N 0 3 337.470 4.213 20 5 EIBDHN C[C@@H](NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000154037890 1044721747 /nfs/dbraw/zinc/72/17/47/1044721747.db2.gz YIWHPRVPRJDNMM-CRAIPNDOSA-N 0 3 343.427 4.066 20 5 EIBDHN CO[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000611336750 1045284154 /nfs/dbraw/zinc/28/41/54/1045284154.db2.gz BTMRIVFVSZOLFQ-SJCJKPOMSA-N 0 3 334.803 4.287 20 5 EIBDHN COc1ccc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194350748 1045719729 /nfs/dbraw/zinc/71/97/29/1045719729.db2.gz PYCAXQRBVSGKTL-OLZOCXBDSA-N 0 3 330.384 4.024 20 5 EIBDHN COc1ccc2c(c1)CCC[C@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000326367036 1045798875 /nfs/dbraw/zinc/79/88/75/1045798875.db2.gz IUCLNFFZRWTMRZ-GOSISDBHSA-N 0 3 326.396 4.079 20 5 EIBDHN CC[C@@H]1C[C@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000536669399 1046619605 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4.386 20 5 EIBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCCS1 ZINC000811488625 1049085803 /nfs/dbraw/zinc/08/58/03/1049085803.db2.gz GCPHWWZIZIVFES-NSHDSACASA-N 0 3 335.256 4.277 20 5 EIBDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610002008 1049467877 /nfs/dbraw/zinc/46/78/77/1049467877.db2.gz TUTPRUXSCGAYIM-CJNGLKHVSA-N 0 3 344.415 4.045 20 5 EIBDHN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610002009 1049469501 /nfs/dbraw/zinc/46/95/01/1049469501.db2.gz TUTPRUXSCGAYIM-CZUORRHYSA-N 0 3 344.415 4.045 20 5 EIBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])ccc1Cl ZINC001170682652 1049528271 /nfs/dbraw/zinc/52/82/71/1049528271.db2.gz QEHHEAVYTFVCMG-NSHDSACASA-N 0 3 342.786 4.121 20 5 EIBDHN CC(C)(NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000037128957 1049660389 /nfs/dbraw/zinc/66/03/89/1049660389.db2.gz WEONECSCMOWJTD-UHFFFAOYSA-N 0 3 349.228 4.382 20 5 EIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(C2CCCCC2)CC1 ZINC001171778603 1049796078 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EIBDHN C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1cccc([N+](=O)[O-])c1 ZINC000171415734 1037397304 /nfs/dbraw/zinc/39/73/04/1037397304.db2.gz GSTNNDHFRKIRNK-ZDUSSCGKSA-N 0 3 326.396 4.159 20 5 EIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCSc2ccccc21 ZINC000573624754 1037631305 /nfs/dbraw/zinc/63/13/05/1037631305.db2.gz QJDULAFJGJOTFJ-CVEARBPZSA-N 0 3 326.421 4.409 20 5 EIBDHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488527417 1037651000 /nfs/dbraw/zinc/65/10/00/1037651000.db2.gz BRVBBBQNLVUNJF-RISCZKNCSA-N 0 3 328.865 4.258 20 5 EIBDHN CC[C@@H]1c2ccsc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000058933212 1038205537 /nfs/dbraw/zinc/20/55/37/1038205537.db2.gz NFXHAELYCTWKDL-MRXNPFEDSA-N 0 3 332.425 4.045 20 5 EIBDHN CCOc1ccc([C@H](C)NCCOc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000504906002 1038846454 /nfs/dbraw/zinc/84/64/54/1038846454.db2.gz RGZMBQIIFLAWEJ-HNNXBMFYSA-N 0 3 344.411 4.032 20 5 EIBDHN Cc1c([C@@H](C)NCc2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000089520281 1038858858 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4.332 20 5 EIBDHN COc1ccc(CN([C@@H](C)c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000506591939 1042651611 /nfs/dbraw/zinc/65/16/11/1042651611.db2.gz DOARZZYQQWKWBK-AWEZNQCLSA-N 0 3 326.396 4.329 20 5 EIBDHN CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCCO1 ZINC000761511677 1042873912 /nfs/dbraw/zinc/87/39/12/1042873912.db2.gz NUQBYDNYODITJH-CQSZACIVSA-N 0 3 326.824 4.029 20 5 EIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2ccccc2)C1 ZINC000520597109 1042919601 /nfs/dbraw/zinc/91/96/01/1042919601.db2.gz VROFOJLMUOEYDY-KRWDZBQOSA-N 0 3 340.423 4.372 20 5 EIBDHN CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000731355542 1043740197 /nfs/dbraw/zinc/74/01/97/1043740197.db2.gz FENVKUZZYQPOQI-CQSZACIVSA-N 0 3 346.402 4.196 20 5 EIBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CC(c2ccccc2)C1 ZINC000466427074 1044446368 /nfs/dbraw/zinc/44/63/68/1044446368.db2.gz ZKRRLZNXSZFLAM-UHFFFAOYSA-N 0 3 326.396 4.029 20 5 EIBDHN O=[N+]([O-])c1ccsc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000301977713 1044527311 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EIBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738312443 1045056660 /nfs/dbraw/zinc/05/66/60/1045056660.db2.gz OKNJWKLHEWEJSU-LSDHHAIUSA-N 0 3 328.387 4.420 20 5 EIBDHN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc2cccnc12 ZINC000547286282 1045117433 /nfs/dbraw/zinc/11/74/33/1045117433.db2.gz SMRLMWVQWNZOLR-UHFFFAOYSA-N 0 3 335.407 4.476 20 5 EIBDHN Cc1cc(NCCc2ccc(Cl)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302072093 1045159193 /nfs/dbraw/zinc/15/91/93/1045159193.db2.gz HEJKYRMQHNSJJK-UHFFFAOYSA-N 0 3 342.786 4.154 20 5 EIBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC2(CCCCC2)O1 ZINC000790994592 1045650047 /nfs/dbraw/zinc/65/00/47/1045650047.db2.gz DFJDKFMMTYHLJT-OAHLLOKOSA-N 0 3 338.835 4.220 20 5 EIBDHN CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000793241742 1046188045 /nfs/dbraw/zinc/18/80/45/1046188045.db2.gz XHPORMNUYCBINZ-MSOLQXFVSA-N 0 3 348.830 4.240 20 5 EIBDHN C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000772387381 1046631877 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326.396 4.332 20 5 EIBDHN CN(C)c1ccc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000775882278 1054201802 /nfs/dbraw/zinc/20/18/02/1054201802.db2.gz ZCMMXRDVRVFVGZ-UHFFFAOYSA-N 0 3 339.439 4.040 20 5 EIBDHN C[C@H](N[C@@H]1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063138 1054372771 /nfs/dbraw/zinc/37/27/71/1054372771.db2.gz SZYDHNNTEAUYKX-JOQOYGCGSA-N 0 3 344.386 4.305 20 5 EIBDHN C[C@H](NC1CCC2(CC2(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087408 1054384689 /nfs/dbraw/zinc/38/46/89/1054384689.db2.gz CYFAJXMBAMHIKG-NLTNOIMHSA-N 0 3 328.334 4.353 20 5 EIBDHN Cc1c(CNCc2cc3ccnc(Cl)c3s2)cccc1[N+](=O)[O-] ZINC001201990033 1054987145 /nfs/dbraw/zinc/98/71/45/1054987145.db2.gz VIZLJCBAOUITBU-UHFFFAOYSA-N 0 3 347.827 4.456 20 5 EIBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000776276633 1055144567 /nfs/dbraw/zinc/14/45/67/1055144567.db2.gz LIDZCJWAZIPJGW-ZWKOTPCHSA-N 0 3 346.814 4.119 20 5 EIBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000776278257 1055150607 /nfs/dbraw/zinc/15/06/07/1055150607.db2.gz SRINXRXKZPNFEH-MSOLQXFVSA-N 0 3 346.814 4.119 20 5 EIBDHN CCC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878448557 1055312617 /nfs/dbraw/zinc/31/26/17/1055312617.db2.gz SYRITRFURPBWQA-HIFRSBDPSA-N 0 3 344.415 4.093 20 5 EIBDHN Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765844887 1055846141 /nfs/dbraw/zinc/84/61/41/1055846141.db2.gz KFCPGCIWMFEKMJ-GUYCJALGSA-N 0 3 340.379 4.034 20 5 EIBDHN CCO[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C12CCCC2 ZINC000742390457 1058590501 /nfs/dbraw/zinc/59/05/01/1058590501.db2.gz HKBRBVPNTVVTGA-JKSUJKDBSA-N 0 3 338.835 4.076 20 5 EIBDHN CCS[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001169409840 1060801532 /nfs/dbraw/zinc/80/15/32/1060801532.db2.gz RRNYSCDDJMPEOG-GJZGRUSLSA-N 0 3 328.865 4.402 20 5 EIBDHN CC1(C)CCCC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001169569243 1060859403 /nfs/dbraw/zinc/85/94/03/1060859403.db2.gz SBLPCKFSIDCUHM-AWEZNQCLSA-N 0 3 341.249 4.416 20 5 EIBDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000336877602 1020143518 /nfs/dbraw/zinc/14/35/18/1020143518.db2.gz QYRUDTTYTGVWCU-ORAYPTAESA-N 0 3 326.396 4.332 20 5 EIBDHN C[C@@H](C1CC1)N(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001167261596 1020718193 /nfs/dbraw/zinc/71/81/93/1020718193.db2.gz CNFRXBWOBWYPDN-JTQLQIEISA-N 0 3 339.233 4.120 20 5 EIBDHN CCC(F)(F)C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599080805 1020878351 /nfs/dbraw/zinc/87/83/51/1020878351.db2.gz PYDKVRKLWXBXOQ-NSHDSACASA-N 0 3 330.375 4.326 20 5 EIBDHN CCCCN(Cc1ccccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167293802 1020897445 /nfs/dbraw/zinc/89/74/45/1020897445.db2.gz AQIYZFPLJKYNHU-LJQANCHMSA-N 0 3 346.402 4.070 20 5 EIBDHN Cc1ccc(C)n1C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000512522449 1032980492 /nfs/dbraw/zinc/98/04/92/1032980492.db2.gz ULJPZUROMWKQOY-UHFFFAOYSA-N 0 3 327.428 4.159 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC[C@@H](F)C3)cs2)c1 ZINC000581488763 1021855177 /nfs/dbraw/zinc/85/51/77/1021855177.db2.gz XOFJFOVEUHPPKI-CHWSQXEVSA-N 0 3 335.404 4.089 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc2ccccc2n1 ZINC000468647118 1022473696 /nfs/dbraw/zinc/47/36/96/1022473696.db2.gz HSPAXMIBOYUZGU-PTNGSMBKSA-N 0 3 333.391 4.336 20 5 EIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000610468809 1022725580 /nfs/dbraw/zinc/72/55/80/1022725580.db2.gz DCQYVBWBFDIFQX-LBPRGKRZSA-N 0 3 325.821 4.025 20 5 EIBDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000178034173 1023305889 /nfs/dbraw/zinc/30/58/89/1023305889.db2.gz YBZBGUZHPCIIRB-HUUCEWRRSA-N 0 3 336.395 4.192 20 5 EIBDHN Cc1ccc(C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000341532521 1023834228 /nfs/dbraw/zinc/83/42/28/1023834228.db2.gz BSMVLMMNBQPOJK-GQCTYLIASA-N 0 3 337.423 4.191 20 5 EIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000610738859 1024801167 /nfs/dbraw/zinc/80/11/67/1024801167.db2.gz NXAMMYJVDHSDLU-HNNXBMFYSA-N 0 3 338.407 4.177 20 5 EIBDHN COCC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000342340057 1025895625 /nfs/dbraw/zinc/89/56/25/1025895625.db2.gz OXWHFNMXKICDHL-MAUKXSAKSA-N 0 3 328.412 4.332 20 5 EIBDHN Cc1ccc([C@@H]2OCCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478224733 1026522533 /nfs/dbraw/zinc/52/25/33/1026522533.db2.gz GVROORIDCBPZTE-OALUTQOASA-N 0 3 344.386 4.052 20 5 EIBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCCOc2ccc(F)cc21 ZINC000338707816 1026586970 /nfs/dbraw/zinc/58/69/70/1026586970.db2.gz LQOFBTWILXBHSZ-ZVVFDCPKSA-N 0 3 342.370 4.251 20 5 EIBDHN Cc1noc(C)c1CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302065355 1026666019 /nfs/dbraw/zinc/66/60/19/1026666019.db2.gz DZLGPFLAZHJEMY-UHFFFAOYSA-N 0 3 340.383 4.101 20 5 EIBDHN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000519776603 1026993716 /nfs/dbraw/zinc/99/37/16/1026993716.db2.gz LXZUFNRRGBBDHR-IWEFOYFVSA-N 0 3 346.814 4.429 20 5 EIBDHN COc1ccc(CN[C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000052035283 1027803754 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20 5 EIBDHN Cc1cc(-c2noc([C@@H]3CCCN3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453300695 1031818812 /nfs/dbraw/zinc/81/88/12/1031818812.db2.gz ZKYNYNUGXQJJQV-INIZCTEOSA-N 0 3 342.399 4.033 20 5 EIBDHN CCCC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532104678 1032045998 /nfs/dbraw/zinc/04/59/98/1032045998.db2.gz SZJDSHPEVUADAD-UHFFFAOYSA-N 0 3 331.441 4.388 20 5 EIBDHN C[C@H](N[C@H]1CCC[C@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171410518 1034198632 /nfs/dbraw/zinc/19/86/32/1034198632.db2.gz JIYCEESDFLUFNN-ZWUHOBOKSA-N 0 3 344.415 4.120 20 5 EIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000513067264 1034465514 /nfs/dbraw/zinc/46/55/14/1034465514.db2.gz DBAKDXPPIGOOJT-IXDOHACOSA-N 0 3 346.452 4.097 20 5 EIBDHN COc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC000595102843 1035587413 /nfs/dbraw/zinc/58/74/13/1035587413.db2.gz GLRJMLPBDQJBBV-GOSISDBHSA-N 0 3 326.396 4.079 20 5 EIBDHN COCc1csc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000595078074 1035591173 /nfs/dbraw/zinc/59/11/73/1035591173.db2.gz SMQSAUPYDJRJDL-SFHVURJKSA-N 0 3 346.452 4.360 20 5 EIBDHN COCc1csc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000595077872 1035591955 /nfs/dbraw/zinc/59/19/55/1035591955.db2.gz QTSVZVSKXNRISI-KRWDZBQOSA-N 0 3 346.452 4.315 20 5 EIBDHN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(F)CC1 ZINC000595819971 1035792182 /nfs/dbraw/zinc/79/21/82/1035792182.db2.gz RKOQNTDMOCWKKY-DNOWBOINSA-N 0 3 347.390 4.256 20 5 EIBDHN CC(C)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000491184698 1035822710 /nfs/dbraw/zinc/82/27/10/1035822710.db2.gz ASHITKMFHXTWLT-UHFFFAOYSA-N 0 3 344.415 4.188 20 5 EIBDHN CC[C@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000586790609 1035848078 /nfs/dbraw/zinc/84/80/78/1035848078.db2.gz NSEYICRDRMZAJR-ABAIWWIYSA-N 0 3 341.367 4.244 20 5 EIBDHN Cc1c(CN[C@@H](C)c2ccc3ncsc3c2)cccc1[N+](=O)[O-] ZINC000485831552 1036296098 /nfs/dbraw/zinc/29/60/98/1036296098.db2.gz HYSMOIPYSSRSSH-LBPRGKRZSA-N 0 3 327.409 4.364 20 5 EIBDHN CCC[C@@H](C)[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486780497 1036850342 /nfs/dbraw/zinc/85/03/42/1036850342.db2.gz VMPZCYFKJDFLQR-CZUORRHYSA-N 0 3 344.415 4.045 20 5 EIBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccccc1CC(F)(F)F ZINC000599018542 1036852488 /nfs/dbraw/zinc/85/24/88/1036852488.db2.gz YFPPOFZLYFWANF-UHFFFAOYSA-N 0 3 338.329 4.298 20 5 EIBDHN CC(C)(NCCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000599533401 1037064999 /nfs/dbraw/zinc/06/49/99/1037064999.db2.gz MPCKTYFDHOPLQM-UHFFFAOYSA-N 0 3 341.436 4.272 20 5 EIBDHN C[C@@H](CCC1CC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000469189476 1037262524 /nfs/dbraw/zinc/26/25/24/1037262524.db2.gz QUITUUIVVDNUAU-LBPRGKRZSA-N 0 3 331.441 4.387 20 5 EIBDHN CCCN(Cc1ccc(OC)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000604492940 1037407398 /nfs/dbraw/zinc/40/73/98/1037407398.db2.gz CHAGJUQKEOQKTO-UHFFFAOYSA-N 0 3 344.411 4.024 20 5 EIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCCN3)CCC2 ZINC000423453084 1038251320 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Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001194905790 1053157106 /nfs/dbraw/zinc/15/71/06/1053157106.db2.gz LMFZVMJKNUAVPP-LIRRHRJNSA-N 0 3 348.443 4.018 20 5 EIBDHN CN(C)c1nccc(CNCc2c3ccccc3cc3ccccc32)n1 ZINC000776496297 1053376710 /nfs/dbraw/zinc/37/67/10/1053376710.db2.gz JRUNTQNOMSFMSG-UHFFFAOYSA-N 0 3 342.446 4.139 20 5 EIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000552270769 1053846027 /nfs/dbraw/zinc/84/60/27/1053846027.db2.gz BLIWLHJFPQFXIY-YVWKXTFCSA-N 0 3 340.423 4.036 20 5 EIBDHN CC(C)c1cc([C@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197542353 1053933871 /nfs/dbraw/zinc/93/38/71/1053933871.db2.gz KQKADVBJKJEQIZ-GJZGRUSLSA-N 0 3 342.443 4.382 20 5 EIBDHN Cc1nc2c(s1)[C@H](NCc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC000873103285 1054487269 /nfs/dbraw/zinc/48/72/69/1054487269.db2.gz STFPCKAMHNRQNG-CQSZACIVSA-N 0 3 331.441 4.144 20 5 EIBDHN CC[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC001201769232 1054902885 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EIBDHN NCc1ccc2c(n1)N(c1nc3ccccc3c3ccccc31)CCC2 ZINC001169592257 1060865247 /nfs/dbraw/zinc/86/52/47/1060865247.db2.gz ZMAZAEQFFLOGNE-UHFFFAOYSA-N 0 3 340.430 4.326 20 5 EIBDHN CC[C@H]1CCCC[C@H]1N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120729888 1020105900 /nfs/dbraw/zinc/10/59/00/1020105900.db2.gz BMAZQIHIYWDVKD-XJKSGUPXSA-N 0 3 344.415 4.045 20 5 EIBDHN CCCCN(Cc1ccccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167293801 1020897296 /nfs/dbraw/zinc/89/72/96/1020897296.db2.gz AQIYZFPLJKYNHU-IBGZPJMESA-N 0 3 346.402 4.070 20 5 EIBDHN COc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417320917 1023265491 /nfs/dbraw/zinc/26/54/91/1023265491.db2.gz KPIYFYORELXXIR-IBGZPJMESA-N 0 3 326.396 4.161 20 5 EIBDHN Cc1cc(C)c(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417351224 1023275410 /nfs/dbraw/zinc/27/54/10/1023275410.db2.gz RMLXQLIFSMMWHX-IBGZPJMESA-N 0 3 325.412 4.164 20 5 EIBDHN Cc1c(CN2CCC(OCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000051181758 1023633117 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4.340 20 5 EIBDHN CC[C@H]1CCCC[C@@H]1N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444675373 1027958332 /nfs/dbraw/zinc/95/83/32/1027958332.db2.gz LWGOMLJRJCYQEH-BBRMVZONSA-N 0 3 344.415 4.045 20 5 EIBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000525267527 1029552986 /nfs/dbraw/zinc/55/29/86/1029552986.db2.gz USRMJNGRVAPZNN-MRXNPFEDSA-N 0 3 328.437 4.209 20 5 EIBDHN CO[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525696088 1029928813 /nfs/dbraw/zinc/92/88/13/1029928813.db2.gz MOOIOJFTCLERQE-QGZVFWFLSA-N 0 3 334.803 4.034 20 5 EIBDHN CCc1cnccc1[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579821 1030206543 /nfs/dbraw/zinc/20/65/43/1030206543.db2.gz LSGQZEKVRTYQIN-YJYMSZOUSA-N 0 3 325.412 4.280 20 5 EIBDHN CC(C)c1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000188256933 1030998008 /nfs/dbraw/zinc/99/80/08/1030998008.db2.gz PENBBHIJLBYHPM-LJQANCHMSA-N 0 3 332.444 4.109 20 5 EIBDHN Cc1c(CN[C@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179591172 1031222831 /nfs/dbraw/zinc/22/28/31/1031222831.db2.gz QBFGNSRDUQMGIZ-GFCCVEGCSA-N 0 3 336.338 4.355 20 5 EIBDHN CCOc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000520173721 1031325669 /nfs/dbraw/zinc/32/56/69/1031325669.db2.gz YCIPFUSCPUNNOU-UHFFFAOYSA-N 0 3 328.412 4.404 20 5 EIBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)OC)cc1 ZINC000453229428 1031749062 /nfs/dbraw/zinc/74/90/62/1031749062.db2.gz QXMYYIZEWCBATC-UGSOOPFHSA-N 0 3 342.395 4.183 20 5 EIBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000120624877 1034663558 /nfs/dbraw/zinc/66/35/58/1034663558.db2.gz LOXSVZPLHUKCQR-CQSZACIVSA-N 0 3 349.390 4.037 20 5 EIBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000595046354 1035567239 /nfs/dbraw/zinc/56/72/39/1035567239.db2.gz PRTPSFRGTSXFLA-LEWSCRJBSA-N 0 3 346.349 4.375 20 5 EIBDHN CCC[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595088637 1035592227 /nfs/dbraw/zinc/59/22/27/1035592227.db2.gz KNLHOGDIBBZNBM-OALUTQOASA-N 0 3 326.396 4.419 20 5 EIBDHN COc1cccc(C2(N[C@H](C)c3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000595093969 1035606567 /nfs/dbraw/zinc/60/65/67/1035606567.db2.gz QNUBDHUBXKSKMS-CQSZACIVSA-N 0 3 326.396 4.333 20 5 EIBDHN CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000485070024 1035659025 /nfs/dbraw/zinc/65/90/25/1035659025.db2.gz BVTPGLRUOMXCKW-CQSZACIVSA-N 0 3 344.411 4.195 20 5 EIBDHN CC[C@@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000586790610 1035847954 /nfs/dbraw/zinc/84/79/54/1035847954.db2.gz NSEYICRDRMZAJR-IAQYHMDHSA-N 0 3 341.367 4.244 20 5 EIBDHN CC1(C)C[C@@H](N[C@H]2CCc3cc(N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000596650005 1035956678 /nfs/dbraw/zinc/95/66/78/1035956678.db2.gz FLVRLMRQXYPRHZ-RBUKOAKNSA-N 0 3 337.423 4.177 20 5 EIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1CCCCC1 ZINC000044714925 1036010332 /nfs/dbraw/zinc/01/03/32/1036010332.db2.gz WTGOEHGYNNJXKA-CYBMUJFWSA-N 0 3 344.415 4.218 20 5 EIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1CCCCC1 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347.365 4.307 20 5 EIBDHN Cc1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421855602 1036810366 /nfs/dbraw/zinc/81/03/66/1036810366.db2.gz MTRBSIYDCWCGSS-GOSISDBHSA-N 0 3 325.412 4.119 20 5 EIBDHN COc1ccc(CN(C)[C@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000604081312 1037186350 /nfs/dbraw/zinc/18/63/50/1037186350.db2.gz MEACQXYZDUKZSE-OAHLLOKOSA-N 0 3 328.412 4.413 20 5 EIBDHN COc1ccccc1C(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000488485069 1037630507 /nfs/dbraw/zinc/63/05/07/1037630507.db2.gz WTUSRBVNELMRIN-NTMALXAHSA-N 0 3 326.396 4.142 20 5 EIBDHN CCCn1nccc1C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000503414938 1037748362 /nfs/dbraw/zinc/74/83/62/1037748362.db2.gz GYCQHOFVQBIPDQ-OAHLLOKOSA-N 0 3 342.443 4.142 20 5 EIBDHN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000423443894 1038224966 /nfs/dbraw/zinc/22/49/66/1038224966.db2.gz KYDXXMLZMGZMKS-AWEZNQCLSA-N 0 3 325.412 4.112 20 5 EIBDHN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000423443895 1038225941 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CC(C)CCOCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608837123 1038924753 /nfs/dbraw/zinc/92/47/53/1038924753.db2.gz RBTCEGSFCVMSKF-UHFFFAOYSA-N 0 3 332.400 4.007 20 5 EIBDHN CC1(C)CCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481186047 1039090812 /nfs/dbraw/zinc/09/08/12/1039090812.db2.gz DBUWAKRPLNXDHM-INIZCTEOSA-N 0 3 329.400 4.308 20 5 EIBDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000481415999 1039404409 /nfs/dbraw/zinc/40/44/09/1039404409.db2.gz YNCRMPFDWBKEJE-SCLBCKFNSA-N 0 3 348.830 4.422 20 5 EIBDHN C[C@]12CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]1C2(F)F ZINC000430103486 1039845524 /nfs/dbraw/zinc/84/55/24/1039845524.db2.gz KBKPEJZCNQMCGZ-SJORKVTESA-N 0 3 348.349 4.332 20 5 EIBDHN O=[N+]([O-])c1ccccc1CNC1CC(F)(c2cccc(Cl)c2)C1 ZINC000481838466 1039854691 /nfs/dbraw/zinc/85/46/91/1039854691.db2.gz QPDWWESPNFFPMG-UHFFFAOYSA-N 0 3 334.778 4.365 20 5 EIBDHN COC1(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000551243969 1040091050 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Cc1c(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000516500545 1041608345 /nfs/dbraw/zinc/60/83/45/1041608345.db2.gz YMHHUENBIGUDMA-BLVKFPJESA-N 0 3 328.387 4.456 20 5 EIBDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464769628 1042149590 /nfs/dbraw/zinc/14/95/90/1042149590.db2.gz IJWFSTUJIRNXCK-KGLIPLIRSA-N 0 3 328.865 4.354 20 5 EIBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCSc1ccccc1 ZINC000509592827 1042397289 /nfs/dbraw/zinc/39/72/89/1042397289.db2.gz NWLRJEGOFRUVIE-UHFFFAOYSA-N 0 3 346.452 4.266 20 5 EIBDHN CCOc1ccc([C@@H](C)NC[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000153120039 1042495119 /nfs/dbraw/zinc/49/51/19/1042495119.db2.gz BBTGNSQHGVZYQH-KUHUBIRLSA-N 0 3 344.411 4.032 20 5 EIBDHN CC[C@H](C)[C@@](C)(O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492223225 1042584796 /nfs/dbraw/zinc/58/47/96/1042584796.db2.gz KGZHTAYINVXCFH-BEVDRBHNSA-N 0 3 342.439 4.071 20 5 EIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCc2c(F)cccc21 ZINC000518795741 1042697418 /nfs/dbraw/zinc/69/74/18/1042697418.db2.gz CLEJTWXLHCPAIR-ROUUACIJSA-N 0 3 326.371 4.388 20 5 EIBDHN COc1cc(CN[C@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492728423 1042732674 /nfs/dbraw/zinc/73/26/74/1042732674.db2.gz OCCDXALORNZVDQ-QGZVFWFLSA-N 0 3 328.412 4.480 20 5 EIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCOc2c(C)cccc21 ZINC000473997930 1042933919 /nfs/dbraw/zinc/93/39/19/1042933919.db2.gz YNJRYLIBUCGXMX-KWRJMZDGSA-N 0 3 338.407 4.420 20 5 EIBDHN CCC(C)(C)[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441652666 1042958243 /nfs/dbraw/zinc/95/82/43/1042958243.db2.gz BGQISMBDVWYRQW-HNNXBMFYSA-N 0 3 344.415 4.045 20 5 EIBDHN CCc1nccn1[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519153 1043958617 /nfs/dbraw/zinc/95/86/17/1043958617.db2.gz IKHWHUBLGMWKLH-WBVHZDCISA-N 0 3 342.443 4.060 20 5 EIBDHN COc1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1C ZINC000192762240 1043963321 /nfs/dbraw/zinc/96/33/21/1043963321.db2.gz RXQBJRWDVUNBQY-SFHVURJKSA-N 0 3 326.396 4.079 20 5 EIBDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000245933501 1044215348 /nfs/dbraw/zinc/21/53/48/1044215348.db2.gz SVCJHFBQKCGDJV-PDSMFRHLSA-N 0 3 348.349 4.054 20 5 EIBDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000766208893 1044485606 /nfs/dbraw/zinc/48/56/06/1044485606.db2.gz ADKNROIVSRZODY-GFCCVEGCSA-N 0 3 334.803 4.017 20 5 EIBDHN C[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922538029 1044804732 /nfs/dbraw/zinc/80/47/32/1044804732.db2.gz NMCJNGXXEAEGBO-GFCCVEGCSA-N 0 3 336.338 4.090 20 5 EIBDHN CC(C)CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000914866606 1044839415 /nfs/dbraw/zinc/83/94/15/1044839415.db2.gz OCXWWDBQJVQXBV-UHFFFAOYSA-N 0 3 343.383 4.161 20 5 EIBDHN CC(C)C[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000466674708 1044968530 /nfs/dbraw/zinc/96/85/30/1044968530.db2.gz ZXFBOLLNEFAECW-INIZCTEOSA-N 0 3 344.415 4.045 20 5 EIBDHN C[C@@H](c1ccccc1)N1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000302030222 1045156104 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CO[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC000811482925 1049079867 /nfs/dbraw/zinc/07/98/67/1049079867.db2.gz XJHJJLVBJNZUCV-LBPRGKRZSA-N 0 3 335.231 4.052 20 5 EIBDHN O=[N+]([O-])c1ccc(CCN2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC001171791203 1049804746 /nfs/dbraw/zinc/80/47/46/1049804746.db2.gz CVVVPGPTSMECKL-UHFFFAOYSA-N 0 3 348.402 4.456 20 5 EIBDHN CCN(Cc1cccc(F)c1F)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233671 1050362821 /nfs/dbraw/zinc/36/28/21/1050362821.db2.gz XXEKTEDKCUDVMZ-CYBMUJFWSA-N 0 3 334.366 4.326 20 5 EIBDHN Cc1ccc(CNCc2cccc(Br)c2C)cc1[N+](=O)[O-] ZINC001179039282 1050613735 /nfs/dbraw/zinc/61/37/35/1050613735.db2.gz HEBPZGMIPDEYMN-UHFFFAOYSA-N 0 3 349.228 4.264 20 5 EIBDHN Cc1nn(C)cc1Nc1cc2nc3cc(N)c(C)cc3cc2cc1C ZINC001174338988 1050897742 /nfs/dbraw/zinc/89/77/42/1050897742.db2.gz SWOOVZBIAZUPEF-UHFFFAOYSA-N 0 3 331.423 4.373 20 5 EIBDHN Cc1oc(C(C)(C)C)cc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001181154146 1051169268 /nfs/dbraw/zinc/16/92/68/1051169268.db2.gz LJHCRUFDUWTGPG-UHFFFAOYSA-N 0 3 330.428 4.468 20 5 EIBDHN CC(C)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000775434644 1051346705 /nfs/dbraw/zinc/34/67/05/1051346705.db2.gz OZWFTIUARCGGIZ-ZWKOTPCHSA-N 0 3 348.830 4.269 20 5 EIBDHN CN1CCC[C@H](NC(=O)CCc2c3ccccc3cc3ccccc32)C1 ZINC001182412981 1051547225 /nfs/dbraw/zinc/54/72/25/1051547225.db2.gz KINOPSYNRIABQL-IBGZPJMESA-N 0 3 346.474 4.136 20 5 EIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(Cc2ccc(C)cc2)C1 ZINC001182929637 1051755685 /nfs/dbraw/zinc/75/56/85/1051755685.db2.gz DUWHPUAISTXHCB-LICLKQGHSA-N 0 3 336.435 4.481 20 5 EIBDHN CC(C)OCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184168120 1051857971 /nfs/dbraw/zinc/85/79/71/1051857971.db2.gz QLTLZRZPZVFFLV-UHFFFAOYSA-N 0 3 338.791 4.023 20 5 EIBDHN CC(C)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000444750834 1052770877 /nfs/dbraw/zinc/77/08/77/1052770877.db2.gz KOFSERQJUFAFJW-HNNXBMFYSA-N 0 3 329.400 4.118 20 5 EIBDHN O=[N+]([O-])c1cccc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000121794849 1053847692 /nfs/dbraw/zinc/84/76/92/1053847692.db2.gz FWOXDNGBUUWYTL-WMZOPIPTSA-N 0 3 344.411 4.056 20 5 EIBDHN O=[N+]([O-])c1ccccc1CN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121951359 1053862706 /nfs/dbraw/zinc/86/27/06/1053862706.db2.gz OHBRNAVZDXIMIO-WMZOPIPTSA-N 0 3 344.411 4.056 20 5 EIBDHN O=[N+]([O-])c1ccccc1CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121951156 1053863647 /nfs/dbraw/zinc/86/36/47/1053863647.db2.gz OHBRNAVZDXIMIO-AEFFLSMTSA-N 0 3 344.411 4.056 20 5 EIBDHN CCOCc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873013012 1054477532 /nfs/dbraw/zinc/47/75/32/1054477532.db2.gz QSDUFARHYXHBPE-UHFFFAOYSA-N 0 3 328.412 4.038 20 5 EIBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCc3c2cccc3Br)c1 ZINC000105491900 1054528850 /nfs/dbraw/zinc/52/88/50/1054528850.db2.gz YYLKOYASIHADGH-MRXNPFEDSA-N 0 3 347.212 4.134 20 5 EIBDHN CC[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC001201769230 1054901521 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EIBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC001167332709 1021199701 /nfs/dbraw/zinc/19/97/01/1021199701.db2.gz QKGGYLQBXQJJQR-QGZVFWFLSA-N 0 3 340.423 4.058 20 5 EIBDHN C[C@@H]1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CS1 ZINC000414236073 1022247299 /nfs/dbraw/zinc/24/72/99/1022247299.db2.gz VHSJQFYWDLAKFT-SKDZVZGDSA-N 0 3 328.437 4.168 20 5 EIBDHN CCC[C@H](CCO)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180677703 1022783760 /nfs/dbraw/zinc/78/37/60/1022783760.db2.gz ZLAVGMJSNSBYMW-OXQOHEQNSA-N 0 3 342.439 4.073 20 5 EIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCCS2)c2ccccc2)c1 ZINC000180753275 1022813244 /nfs/dbraw/zinc/81/32/44/1022813244.db2.gz LQPDSNLNCRADJR-ROUUACIJSA-N 0 3 328.437 4.169 20 5 EIBDHN COc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417299375 1023252091 /nfs/dbraw/zinc/25/20/91/1023252091.db2.gz MSDCHDUTJIFHLS-IBGZPJMESA-N 0 3 326.396 4.161 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC[C@H](F)C3)cs2)c1 ZINC000581488765 1023302454 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CCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000537973640 1040975080 /nfs/dbraw/zinc/97/50/80/1040975080.db2.gz TWLVJXBMVAZUDA-KRWDZBQOSA-N 0 3 344.411 4.243 20 5 EIBDHN CO[C@@](C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462815031 1040986613 /nfs/dbraw/zinc/98/66/13/1040986613.db2.gz BIGBNGGXMMDJCL-PMACEKPBSA-N 0 3 340.423 4.089 20 5 EIBDHN CO[C@@](C)(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462815032 1040987486 /nfs/dbraw/zinc/98/74/86/1040987486.db2.gz BIGBNGGXMMDJCL-UXHICEINSA-N 0 3 340.423 4.089 20 5 EIBDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000903289289 1041011529 /nfs/dbraw/zinc/01/15/29/1041011529.db2.gz RTPIPMOFVWFQMI-ZIAGYGMSSA-N 0 3 342.395 4.168 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540136523 1041178680 /nfs/dbraw/zinc/17/86/80/1041178680.db2.gz PGWXLMSLBUEKTC-VPWXQRGCSA-N 0 3 340.423 4.332 20 5 EIBDHN CC(C)(NCc1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000480390468 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EIBDHN CCC[C@@H]1[C@H](C)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000464731338 1042135789 /nfs/dbraw/zinc/13/57/89/1042135789.db2.gz FDWZAXAMDAQFBP-CZUORRHYSA-N 0 3 344.415 4.045 20 5 EIBDHN COc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000518005756 1042306048 /nfs/dbraw/zinc/30/60/48/1042306048.db2.gz XNVDRQOPIQBCMO-QGZVFWFLSA-N 0 3 340.423 4.058 20 5 EIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CC=CCC1 ZINC000542249348 1042360372 /nfs/dbraw/zinc/36/03/72/1042360372.db2.gz MQMRWFHTRJHUSB-CQSZACIVSA-N 0 3 327.384 4.038 20 5 EIBDHN CCC(CC)[C@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492102530 1042556231 /nfs/dbraw/zinc/55/62/31/1042556231.db2.gz ZMURCOJWYUWPHD-WOJBJXKFSA-N 0 3 342.439 4.071 20 5 EIBDHN CC[C@H](C)[C@@](C)(O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492223228 1042584708 /nfs/dbraw/zinc/58/47/08/1042584708.db2.gz KGZHTAYINVXCFH-YSSFQJQWSA-N 0 3 342.439 4.071 20 5 EIBDHN CCOc1cc(CN[C@H](CC)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492580210 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331.441 4.048 20 5 EIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]3C3CC3)cs2)c1 ZINC000611268570 1045270627 /nfs/dbraw/zinc/27/06/27/1045270627.db2.gz USGAKPSLNNURTB-INIZCTEOSA-N 0 3 329.425 4.093 20 5 EIBDHN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCC(F)(F)C2)c2ccccc2)c1 ZINC000611521623 1045319295 /nfs/dbraw/zinc/31/92/95/1045319295.db2.gz JTQZXFLEJLCMRB-RDJZCZTQSA-N 0 3 332.350 4.462 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCO[C@H](c2ccccc2)C1 ZINC000611515613 1045321470 /nfs/dbraw/zinc/32/14/70/1045321470.db2.gz HCRBTJQTRCRNFZ-JXFKEZNVSA-N 0 3 340.423 4.428 20 5 EIBDHN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193901649 1045539586 /nfs/dbraw/zinc/53/95/86/1045539586.db2.gz WVBYCGWVTOBQKV-DJJJIMSYSA-N 0 3 326.396 4.332 20 5 EIBDHN COc1cc(C)c([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000790694465 1045559181 /nfs/dbraw/zinc/55/91/81/1045559181.db2.gz IRIUSVGHGPLPHJ-HNNXBMFYSA-N 0 3 328.412 4.379 20 5 EIBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCCO2 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PPFNLQCISKCAQE-RHSMWYFYSA-N 0 3 330.384 4.040 20 5 EIBDHN Cc1c([C@H](C)N[C@@H](C)[C@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000426355198 1042589439 /nfs/dbraw/zinc/58/94/39/1042589439.db2.gz YOOSHYSHFIBKQR-ZJNRKIDTSA-N 0 3 346.452 4.318 20 5 EIBDHN CO[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000493038870 1042799332 /nfs/dbraw/zinc/79/93/32/1042799332.db2.gz WXSTWKWVMNJIFN-RTBURBONSA-N 0 3 342.439 4.335 20 5 EIBDHN CCCC[C@@H]1CCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704429 1042883978 /nfs/dbraw/zinc/88/39/78/1042883978.db2.gz JFMRTVBWARUUFB-CZUORRHYSA-N 0 3 344.415 4.093 20 5 EIBDHN C[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173304445 1043889051 /nfs/dbraw/zinc/88/90/51/1043889051.db2.gz QJSUSTJRRAKPFE-UZLBHIALSA-N 0 3 339.439 4.083 20 5 EIBDHN CSc1ccc(OCCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429244307 1044090704 /nfs/dbraw/zinc/09/07/04/1044090704.db2.gz KFNGGQDZGHHQTD-UHFFFAOYSA-N 0 3 346.452 4.220 20 5 EIBDHN 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1047618867 /nfs/dbraw/zinc/61/88/67/1047618867.db2.gz KIZYARPANOWIPW-IBGZPJMESA-N 0 3 325.412 4.354 20 5 EIBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814300127 1047965115 /nfs/dbraw/zinc/96/51/15/1047965115.db2.gz HHQOUBGTYJAQOI-YGUOUDRMSA-N 0 3 334.778 4.423 20 5 EIBDHN C[C@@H](NCc1ccc2sccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627899 1048553675 /nfs/dbraw/zinc/55/36/75/1048553675.db2.gz MKMWYFPKLWLDER-LLVKDONJSA-N 0 3 327.409 4.243 20 5 EIBDHN Cc1ccccc1C1(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000846174174 1048825801 /nfs/dbraw/zinc/82/58/01/1048825801.db2.gz LYVZDYOECUOUEW-AWEZNQCLSA-N 0 3 325.412 4.215 20 5 EIBDHN CCOC1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000816643095 1048846424 /nfs/dbraw/zinc/84/64/24/1048846424.db2.gz VEBFGTRDXJBKED-UHFFFAOYSA-N 0 3 347.242 4.341 20 5 EIBDHN CS[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811482105 1049077210 /nfs/dbraw/zinc/07/72/10/1049077210.db2.gz FXRJTKVSFDACIU-GHMZBOCLSA-N 0 3 335.256 4.275 20 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C[C@@H]1CC[C@H](NCc2c(Br)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001193649800 1051966578 /nfs/dbraw/zinc/96/65/78/1051966578.db2.gz XPGPLBSFFJXYKY-GYSYKLTISA-N 0 3 341.249 4.272 20 5 EIBDHN Cc1ccc([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)c(C)c1 ZINC001194074593 1052070102 /nfs/dbraw/zinc/07/01/02/1052070102.db2.gz YBPAJLKYLXTIKO-INIZCTEOSA-N 0 3 328.387 4.340 20 5 EIBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001176641221 1052150275 /nfs/dbraw/zinc/15/02/75/1052150275.db2.gz QQRFPNBFCQOHIR-GIFJBRJJSA-N 0 3 338.407 4.151 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001194905789 1053156220 /nfs/dbraw/zinc/15/62/20/1053156220.db2.gz LMFZVMJKNUAVPP-KUHUBIRLSA-N 0 3 348.443 4.018 20 5 EIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2ccc(F)cn2)CC1 ZINC001196263045 1053622312 /nfs/dbraw/zinc/62/23/12/1053622312.db2.gz LQQOCFFVVJHAQW-CQSZACIVSA-N 0 3 343.402 4.378 20 5 EIBDHN O=[N+]([O-])c1cccc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000121794706 1053847922 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