smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OCCSc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000133667037 927439609 /nfs/dbraw/zinc/43/96/09/927439609.db2.gz SCGODUBQRGSMCS-UHFFFAOYSA-N 0 1 372.406 3.560 20 5 FHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000572845319 929788747 /nfs/dbraw/zinc/78/87/47/929788747.db2.gz NAXVIOVERNATAF-CJNGLKHVSA-N 0 1 355.394 3.540 20 5 FHBDMN COc1ccc(OCCN2CCS[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000610369720 930172776 /nfs/dbraw/zinc/17/27/76/930172776.db2.gz FOHLBZVCQVLOMA-IBGZPJMESA-N 0 1 374.462 3.772 20 5 FHBDMN Cc1ccc(OC2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000580372469 930586103 /nfs/dbraw/zinc/58/61/03/930586103.db2.gz GEPRXUDFKSNJFJ-UHFFFAOYSA-N 0 1 356.422 3.825 20 5 FHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000580417878 930659641 /nfs/dbraw/zinc/65/96/41/930659641.db2.gz LUCJOHYFKVJEIK-UHFFFAOYSA-N 0 1 369.343 3.605 20 5 FHBDMN COc1cc(CN2CCC[C@H]2Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000510398385 931906096 /nfs/dbraw/zinc/90/60/96/931906096.db2.gz XZPNESKMVAWSBR-KRWDZBQOSA-N 0 1 374.412 3.958 20 5 FHBDMN O=C(N[C@H](CC1CC1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610243165 931933765 /nfs/dbraw/zinc/93/37/65/931933765.db2.gz MFWBHCAAZWVRCQ-QGZVFWFLSA-N 0 1 350.378 3.742 20 5 FHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001266852324 932921236 /nfs/dbraw/zinc/92/12/36/932921236.db2.gz XNGHHNQKCHBYTD-UHFFFAOYSA-N 0 1 364.283 3.729 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000458131581 934322623 /nfs/dbraw/zinc/32/26/23/934322623.db2.gz QMPDJROCFDMUFM-KRWDZBQOSA-N 0 1 354.410 3.774 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000458132166 934323009 /nfs/dbraw/zinc/32/30/09/934323009.db2.gz QMPDJROCFDMUFM-QGZVFWFLSA-N 0 1 354.410 3.774 20 5 FHBDMN CCc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1[N+](=O)[O-] ZINC000471992270 934727243 /nfs/dbraw/zinc/72/72/43/934727243.db2.gz NAAWASHGJIXYRB-GOSISDBHSA-N 0 1 371.437 3.626 20 5 FHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c1[N+](=O)[O-] ZINC000538819476 934910282 /nfs/dbraw/zinc/91/02/82/934910282.db2.gz XKQSECOUQLDIEI-UHFFFAOYSA-N 0 1 368.437 3.817 20 5 FHBDMN O=C(Nc1ccnc(OCc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001143428681 934929563 /nfs/dbraw/zinc/92/95/63/934929563.db2.gz OZEOROUHLOSYCN-UHFFFAOYSA-N 0 1 365.345 3.527 20 5 FHBDMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)[O-] ZINC000263455818 935218500 /nfs/dbraw/zinc/21/85/00/935218500.db2.gz ASXIIFVETZUXAZ-JTQLQIEISA-N 0 1 352.774 3.661 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478245768 935597318 /nfs/dbraw/zinc/59/73/18/935597318.db2.gz BQXVZJPZPRKXDP-UHFFFAOYSA-N 0 1 360.797 3.974 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049262 935792933 /nfs/dbraw/zinc/79/29/33/935792933.db2.gz KRDGEFOYJGQSLF-KBPBESRZSA-N 0 1 362.451 3.719 20 5 FHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000479306104 935824619 /nfs/dbraw/zinc/82/46/19/935824619.db2.gz ASDYJNZANOYJPT-UHFFFAOYSA-N 0 1 369.402 3.766 20 5 FHBDMN COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)cc([N+](=O)[O-])c1O ZINC000024098885 935955330 /nfs/dbraw/zinc/95/53/30/935955330.db2.gz LTOKGKHCFNRXCD-SFHVURJKSA-N 0 1 371.393 3.532 20 5 FHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000178636595 935957498 /nfs/dbraw/zinc/95/74/98/935957498.db2.gz TYOADNBLUUSHHU-UHFFFAOYSA-N 0 1 350.256 3.742 20 5 FHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000582724393 935990165 /nfs/dbraw/zinc/99/01/65/935990165.db2.gz RFIVUJILOIWPSS-ZDUSSCGKSA-N 0 1 351.328 3.998 20 5 FHBDMN Cc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]nc1-c1ccncc1 ZINC000076880284 936036360 /nfs/dbraw/zinc/03/63/60/936036360.db2.gz URTBVPXMECQBHR-UHFFFAOYSA-N 0 1 357.757 3.594 20 5 FHBDMN O=C(NCCN1CCCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277862539 936053068 /nfs/dbraw/zinc/05/30/68/936053068.db2.gz LDHCHPSDEXXSFN-UHFFFAOYSA-N 0 1 363.461 3.699 20 5 FHBDMN Cc1ccncc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611939654 936096521 /nfs/dbraw/zinc/09/65/21/936096521.db2.gz SQRCFSGVDZQIPE-NEPJUHHUSA-N 0 1 362.817 3.629 20 5 FHBDMN Cc1ccc(C[C@@H]2CCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000582778660 936113186 /nfs/dbraw/zinc/11/31/86/936113186.db2.gz OAOQARDBHRNZPA-INIZCTEOSA-N 0 1 370.453 3.845 20 5 FHBDMN Cc1ccccc1CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680468 936172980 /nfs/dbraw/zinc/17/29/80/936172980.db2.gz PLIOJUOOMDMHBZ-IRXDYDNUSA-N 0 1 369.465 3.610 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691438 936208175 /nfs/dbraw/zinc/20/81/75/936208175.db2.gz LDBIDPFYFIUSSX-RYUDHWBXSA-N 0 1 363.364 3.859 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691469 936208211 /nfs/dbraw/zinc/20/82/11/936208211.db2.gz LDBIDPFYFIUSSX-NWDGAFQWSA-N 0 1 363.364 3.859 20 5 FHBDMN O=[N+]([O-])c1cnn(CCN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000511211618 936249879 /nfs/dbraw/zinc/24/98/79/936249879.db2.gz PNGSWPYLAMREBY-UHFFFAOYSA-N 0 1 367.236 3.887 20 5 FHBDMN O=[N+]([O-])c1ccn(CCN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000511216841 936304351 /nfs/dbraw/zinc/30/43/51/936304351.db2.gz NBLMXXIDAMUIQV-UHFFFAOYSA-N 0 1 367.236 3.887 20 5 FHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2ccc(O)cc21 ZINC000439989135 945156271 /nfs/dbraw/zinc/15/62/71/945156271.db2.gz PRHPNSYDKVAUKU-UHFFFAOYSA-N 0 1 358.375 3.563 20 5 FHBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000611774756 938284850 /nfs/dbraw/zinc/28/48/50/938284850.db2.gz UUBCEFBWWIULDE-IYBDPMFKSA-N 0 1 357.841 3.816 20 5 FHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccc(F)cc2)c1 ZINC000583591741 938311359 /nfs/dbraw/zinc/31/13/59/938311359.db2.gz DTWPSKIZFDIHGH-UHFFFAOYSA-N 0 1 354.385 3.594 20 5 FHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000583871561 938461890 /nfs/dbraw/zinc/46/18/90/938461890.db2.gz ORFPLWOYGPXWNF-LBPRGKRZSA-N 0 1 369.219 3.762 20 5 FHBDMN Cc1ccc([C@]2(C)CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000583927867 938486462 /nfs/dbraw/zinc/48/64/62/938486462.db2.gz NQLIPZJYBUBUJI-HXUWFJFHSA-N 0 1 364.405 3.583 20 5 FHBDMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000179012202 938488658 /nfs/dbraw/zinc/48/86/58/938488658.db2.gz IKMWVIFYXWPGPC-IRXDYDNUSA-N 0 1 374.828 3.815 20 5 FHBDMN CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000536192707 938541918 /nfs/dbraw/zinc/54/19/18/938541918.db2.gz PHQDHFJBCRLDAR-UHFFFAOYSA-N 0 1 357.410 3.785 20 5 FHBDMN CCN(Cc1ccccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106268961 945200677 /nfs/dbraw/zinc/20/06/77/945200677.db2.gz HFDGCEABSNQFKO-INIZCTEOSA-N 0 1 364.829 3.510 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCCc2ccccc21 ZINC000198695065 938962528 /nfs/dbraw/zinc/96/25/28/938962528.db2.gz RLZVZCXEDQLOKQ-QGZVFWFLSA-N 0 1 353.422 3.851 20 5 FHBDMN COc1ccc(NC(=O)c2[nH]c(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000611889889 938965904 /nfs/dbraw/zinc/96/59/04/938965904.db2.gz CTGDZLVJGLWHCG-UHFFFAOYSA-N 0 1 352.350 3.554 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)c1[N+](=O)[O-] ZINC000611988606 939015323 /nfs/dbraw/zinc/01/53/23/939015323.db2.gz UXGCWJVVMZMLBI-XEHSLEBBSA-N 0 1 360.439 3.786 20 5 FHBDMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000472389112 939202724 /nfs/dbraw/zinc/20/27/24/939202724.db2.gz QLGMYZGUTYETMY-UKRRQHHQSA-N 0 1 364.405 3.564 20 5 FHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@]2(CO)CCc3ccccc32)o1 ZINC000135899880 939910843 /nfs/dbraw/zinc/91/08/43/939910843.db2.gz ZTOCRDREGARRMG-NRFANRHFSA-N 0 1 364.401 3.778 20 5 FHBDMN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000364725471 939993559 /nfs/dbraw/zinc/99/35/59/939993559.db2.gz UAJWZSKVPTZPAZ-GOSISDBHSA-N 0 1 371.481 3.518 20 5 FHBDMN O=C([O-])[C@@H](CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000584474892 940007811 /nfs/dbraw/zinc/00/78/11/940007811.db2.gz MAWPAWKNTSWWKU-IBGZPJMESA-N 0 1 354.406 3.818 20 5 FHBDMN CC1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CN(Cc2ccccc2)C1 ZINC000365055152 940049675 /nfs/dbraw/zinc/04/96/75/940049675.db2.gz MUHUHMNJCGPBSF-UHFFFAOYSA-N 0 1 373.840 3.500 20 5 FHBDMN CCc1ccc([C@@H](NCC2(OC)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414679 940053614 /nfs/dbraw/zinc/05/36/14/940053614.db2.gz YDYZMGZRQVQIMK-IBGZPJMESA-N 0 1 374.437 3.625 20 5 FHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375965977 940115642 /nfs/dbraw/zinc/11/56/42/940115642.db2.gz UWHWNJKCMQSMFN-MRXNPFEDSA-N 0 1 370.453 3.601 20 5 FHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000612530860 940127226 /nfs/dbraw/zinc/12/72/26/940127226.db2.gz WSDWQROWVYLUPY-UYSIFFEZSA-N 0 1 353.378 3.779 20 5 FHBDMN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180002260 940211147 /nfs/dbraw/zinc/21/11/47/940211147.db2.gz VIQJVBMSXKIIAF-PXAZEXFGSA-N 0 1 355.394 3.555 20 5 FHBDMN CC[C@H]1Oc2cc([C@H](C)NCc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180002275 940211261 /nfs/dbraw/zinc/21/12/61/940211261.db2.gz VIQJVBMSXKIIAF-YVEFUNNKSA-N 0 1 355.394 3.555 20 5 FHBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177544522 940269017 /nfs/dbraw/zinc/26/90/17/940269017.db2.gz NRXJIUYAEGUMFD-UPJWGTAASA-N 0 1 351.834 3.697 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](c4ncc[nH]4)C3)cs2)c1 ZINC000092071447 940311250 /nfs/dbraw/zinc/31/12/50/940311250.db2.gz KVHXUEOIYNNPFI-AWEZNQCLSA-N 0 1 369.450 3.821 20 5 FHBDMN O=C1O[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1c1ccccc1 ZINC000177999535 940503533 /nfs/dbraw/zinc/50/35/33/940503533.db2.gz ARYCQGQHRROFKN-LJQANCHMSA-N 0 1 367.405 3.585 20 5 FHBDMN CCCN1Cc2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000066515079 940595971 /nfs/dbraw/zinc/59/59/71/940595971.db2.gz PLBCLMBKMNQKDE-DHZHZOJOSA-N 0 1 351.406 3.972 20 5 FHBDMN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2OC)c(C)c1OC ZINC000582020828 940642194 /nfs/dbraw/zinc/64/21/94/940642194.db2.gz GCJLDZNHTPHDQB-CYBMUJFWSA-N 0 1 360.410 3.780 20 5 FHBDMN Cn1ccnc1[C@H](NC[C@H]1CCC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414201497 940754472 /nfs/dbraw/zinc/75/44/72/940754472.db2.gz SOEFKQHGDBPMAK-BHIYHBOVSA-N 0 1 354.454 3.834 20 5 FHBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1nccc(C(F)(F)F)n1 ZINC000414270010 940871022 /nfs/dbraw/zinc/87/10/22/940871022.db2.gz YIEIIZXPXMJISX-NSHDSACASA-N 0 1 354.332 3.515 20 5 FHBDMN CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400499 940999533 /nfs/dbraw/zinc/99/95/33/940999533.db2.gz RCFBCNCZDAGHAT-HOTGVXAUSA-N 0 1 355.438 3.683 20 5 FHBDMN C[C@@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000180451115 941018226 /nfs/dbraw/zinc/01/82/26/941018226.db2.gz BMBXCWZACBOSDY-LLVKDONJSA-N 0 1 367.858 3.619 20 5 FHBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000180696221 941064732 /nfs/dbraw/zinc/06/47/32/941064732.db2.gz YHMGQTHIWBQSTE-CQSZACIVSA-N 0 1 357.410 3.591 20 5 FHBDMN O=C1CCCN1Cc1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892647916 941072202 /nfs/dbraw/zinc/07/22/02/941072202.db2.gz GAOWHXOQHHAGCW-UHFFFAOYSA-N 0 1 373.840 3.660 20 5 FHBDMN CCS[C@@H]1CCCC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189492416 941159038 /nfs/dbraw/zinc/15/90/38/941159038.db2.gz POJQVPKJNLTDHU-LSDHHAIUSA-N 0 1 362.455 3.799 20 5 FHBDMN CSc1c(F)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000544099559 941283757 /nfs/dbraw/zinc/28/37/57/941283757.db2.gz RJNOPMASQVQGGW-UHFFFAOYSA-N 0 1 374.390 3.704 20 5 FHBDMN Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(-n2cc(Cl)cn2)n1 ZINC000189898868 941296986 /nfs/dbraw/zinc/29/69/86/941296986.db2.gz NWWLONGJFOQLGJ-CYBMUJFWSA-N 0 1 371.828 3.988 20 5 FHBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414687242 941439052 /nfs/dbraw/zinc/43/90/52/941439052.db2.gz WXSDJRYQWSRWLX-UHFFFAOYSA-N 0 1 362.357 3.823 20 5 FHBDMN Cc1ccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC000122510371 941785278 /nfs/dbraw/zinc/78/52/78/941785278.db2.gz YKBGETNJYGLNPG-GOSISDBHSA-N 0 1 353.422 3.648 20 5 FHBDMN C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000513272578 941825141 /nfs/dbraw/zinc/82/51/41/941825141.db2.gz RKIDHVOLXQOYOJ-KXBFYZLASA-N 0 1 365.433 3.567 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000182690173 941952579 /nfs/dbraw/zinc/95/25/79/941952579.db2.gz TYEYNBQLLRNKNY-AWEZNQCLSA-N 0 1 373.478 3.920 20 5 FHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640462 941957052 /nfs/dbraw/zinc/95/70/52/941957052.db2.gz QCMJITRHRYXIFL-GUYCJALGSA-N 0 1 365.389 3.797 20 5 FHBDMN O=C(Nc1cccc(Cl)c1O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182735123 941964171 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KKMIIVPRQNBYCP-UHFFFAOYSA-N 0 1 362.348 3.777 20 5 FHBDMN CCCOc1ccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000549536243 945847819 /nfs/dbraw/zinc/84/78/19/945847819.db2.gz QSMCWTPSTYEBKH-CYBMUJFWSA-N 0 1 360.410 3.949 20 5 FHBDMN CN(CCCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000108176653 945882776 /nfs/dbraw/zinc/88/27/76/945882776.db2.gz NGRXREWREQTWJQ-UHFFFAOYSA-N 0 1 361.829 3.751 20 5 FHBDMN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126575955 945970254 /nfs/dbraw/zinc/97/02/54/945970254.db2.gz IPKHLDFXOXDLDT-HUUCEWRRSA-N 0 1 370.371 3.689 20 5 FHBDMN Cc1ccccc1[C@H](CO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549545525 946059263 /nfs/dbraw/zinc/05/92/63/946059263.db2.gz YJLIWLXSTHMAQV-INIZCTEOSA-N 0 1 354.328 3.745 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000444257020 946141583 /nfs/dbraw/zinc/14/15/83/946141583.db2.gz OCJCSSNHWWRGJP-GUYCJALGSA-N 0 1 356.426 3.802 20 5 FHBDMN 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FHBDMN C[C@@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420405 941009858 /nfs/dbraw/zinc/00/98/58/941009858.db2.gz CLKLMPCIVQKJIA-FOIQADDNSA-N 0 1 367.449 3.781 20 5 FHBDMN COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180420948 941010305 /nfs/dbraw/zinc/01/03/05/941010305.db2.gz UWFCCUGFFCQEDY-LLVKDONJSA-N 0 1 363.801 3.546 20 5 FHBDMN C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180427674 941012849 /nfs/dbraw/zinc/01/28/49/941012849.db2.gz BTXYYZKKDBBFIZ-CHWSQXEVSA-N 0 1 361.829 3.776 20 5 FHBDMN C[C@@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180442136 941014987 /nfs/dbraw/zinc/01/49/87/941014987.db2.gz JVABHUOSSPSJCX-HUUCEWRRSA-N 0 1 353.422 3.613 20 5 FHBDMN C[C@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180442103 941015032 /nfs/dbraw/zinc/01/50/32/941015032.db2.gz JVABHUOSSPSJCX-CABCVRRESA-N 0 1 353.422 3.613 20 5 FHBDMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 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1 353.422 3.641 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(F)cc2Cl)c1[N+](=O)[O-] ZINC000433747892 941863635 /nfs/dbraw/zinc/86/36/35/941863635.db2.gz IEEBMPTUAIXZNI-UHFFFAOYSA-N 0 1 354.769 3.506 20 5 FHBDMN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000513371485 941880768 /nfs/dbraw/zinc/88/07/68/941880768.db2.gz OOQOOBYZIHHEOW-KRWDZBQOSA-N 0 1 356.422 3.955 20 5 FHBDMN COc1ccccc1O[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000513371485 941880771 /nfs/dbraw/zinc/88/07/71/941880771.db2.gz OOQOOBYZIHHEOW-KRWDZBQOSA-N 0 1 356.422 3.955 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2csc3ccccc23)c1[N+](=O)[O-] ZINC000433825448 941923179 /nfs/dbraw/zinc/92/31/79/941923179.db2.gz GRAYOYGYYIGCBY-UHFFFAOYSA-N 0 1 358.423 3.928 20 5 FHBDMN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182596603 941946290 /nfs/dbraw/zinc/94/62/90/941946290.db2.gz XMWBXEQJIHPEQS-KRWDZBQOSA-N 0 1 361.829 3.952 20 5 FHBDMN COc1cc(CN2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000513472450 941951539 /nfs/dbraw/zinc/95/15/39/941951539.db2.gz FMSBPYDSPWHRTK-AWEZNQCLSA-N 0 1 360.385 3.741 20 5 FHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640441 941957205 /nfs/dbraw/zinc/95/72/05/941957205.db2.gz QCMJITRHRYXIFL-CXAGYDPISA-N 0 1 365.389 3.797 20 5 FHBDMN Cc1cc(Br)c(O)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000182912638 941986040 /nfs/dbraw/zinc/98/60/40/941986040.db2.gz FIDMUMJCOKSRII-UHFFFAOYSA-N 0 1 351.156 3.624 20 5 FHBDMN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433937349 942010956 /nfs/dbraw/zinc/01/09/56/942010956.db2.gz SRNWJWMDUHWNQC-HNNXBMFYSA-N 0 1 358.442 3.925 20 5 FHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2c3ccccc3oc2CC)c1[N+](=O)[O-] ZINC000517581294 942025504 /nfs/dbraw/zinc/02/55/04/942025504.db2.gz HYAWYBPBGDAJOW-UHFFFAOYSA-N 0 1 370.409 3.851 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000434033775 942048087 /nfs/dbraw/zinc/04/80/87/942048087.db2.gz YDMPVDGFKIELSM-UKRRQHHQSA-N 0 1 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Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444293614 946191799 /nfs/dbraw/zinc/19/17/99/946191799.db2.gz TVRPOJWQIIIZDE-UHFFFAOYSA-N 0 1 368.343 3.903 20 5 FHBDMN CC[C@H](C)N(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000111194506 946391609 /nfs/dbraw/zinc/39/16/09/946391609.db2.gz QTXMLFOWAQXEJF-ZDUSSCGKSA-N 0 1 352.394 3.912 20 5 FHBDMN COc1ccc(-c2ccc(CNCc3c(C)nn(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000237430815 946570396 /nfs/dbraw/zinc/57/03/96/946570396.db2.gz ITLFCLICKJDSNT-UHFFFAOYSA-N 0 1 370.409 3.504 20 5 FHBDMN C[C@@H]1OCC[C@]12CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000475290047 946829251 /nfs/dbraw/zinc/82/92/51/946829251.db2.gz DZDOLGIFHGLJRA-LIRRHRJNSA-N 0 1 374.462 3.703 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3Cc3ccc(F)cc3)nc2c1 ZINC000444595985 947020284 /nfs/dbraw/zinc/02/02/84/947020284.db2.gz KOFGXMQKHLAEAA-HNNXBMFYSA-N 0 1 354.385 3.817 20 5 FHBDMN Cc1c(NC(=O)[C@@H](C)N(C)CC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000444670278 947095542 /nfs/dbraw/zinc/09/55/42/947095542.db2.gz GKYJOTZBXOAXRL-MRXNPFEDSA-N 0 1 367.449 3.894 20 5 FHBDMN CC(=O)N1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2C1 ZINC000184521812 947160325 /nfs/dbraw/zinc/16/03/25/947160325.db2.gz WQOJEWGUXFSGBB-XCLFUZPHSA-N 0 1 371.412 3.878 20 5 FHBDMN CSc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000440614301 947389621 /nfs/dbraw/zinc/38/96/21/947389621.db2.gz NCNUEEFYABHNIB-STQMWFEESA-N 0 1 359.451 3.995 20 5 FHBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCc1nc(-c3ccccc3)no1)CC2 ZINC000088606970 947585768 /nfs/dbraw/zinc/58/57/68/947585768.db2.gz HLYMTIQIAITLRO-UHFFFAOYSA-N 0 1 364.405 3.636 20 5 FHBDMN CN1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000585717153 948231475 /nfs/dbraw/zinc/23/14/75/948231475.db2.gz VSUBQHGCADMYKY-WMZOPIPTSA-N 0 1 365.355 3.547 20 5 FHBDMN C[C@@H]1C[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000585729248 948237623 /nfs/dbraw/zinc/23/76/23/948237623.db2.gz ZHZZLXAHICBWTN-LQAWEQHXSA-N 0 1 359.813 3.926 20 5 FHBDMN CCc1ccc([C@H](N[C@H]2CC[C@@H](CO)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000585794111 948301386 /nfs/dbraw/zinc/30/13/86/948301386.db2.gz FFCNUAFNQRRGMP-PTSWNOGYSA-N 0 1 358.438 3.980 20 5 FHBDMN CCOC(=O)c1cc(NCc2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000467784748 948327950 /nfs/dbraw/zinc/32/79/50/948327950.db2.gz IBAJETPDZKGRKO-UHFFFAOYSA-N 0 1 354.366 3.568 20 5 FHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1C ZINC000119780378 206105334 /nfs/dbraw/zinc/10/53/34/206105334.db2.gz MMNOICYJDJEBFG-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN CCCN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C ZINC000051452266 567958730 /nfs/dbraw/zinc/95/87/30/567958730.db2.gz RRFZGGMSTMGTGZ-UHFFFAOYSA-N 0 1 355.438 3.796 20 5 FHBDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291228317 568084394 /nfs/dbraw/zinc/08/43/94/568084394.db2.gz PLWICQZRNFYSRV-GJZGRUSLSA-N 0 1 368.437 3.926 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000481682908 568085031 /nfs/dbraw/zinc/08/50/31/568085031.db2.gz BKBFMDLUBQGCGE-HZPDHXFCSA-N 0 1 370.453 3.520 20 5 FHBDMN COc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000481725576 568098405 /nfs/dbraw/zinc/09/84/05/568098405.db2.gz KSTKHAFSFFMFQJ-HXUWFJFHSA-N 0 1 354.406 3.625 20 5 FHBDMN Cc1ccccc1[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000482072532 568253920 /nfs/dbraw/zinc/25/39/20/568253920.db2.gz ILZMTGWPYXEPGP-INIZCTEOSA-N 0 1 366.414 3.718 20 5 FHBDMN CCO[C@@H]1C[C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(CC)CC ZINC000482135157 568276994 /nfs/dbraw/zinc/27/69/94/568276994.db2.gz MUOUGNYBOFIXHD-HZPDHXFCSA-N 0 1 374.441 3.718 20 5 FHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CCOCC2)cc1OC ZINC000541986187 568302403 /nfs/dbraw/zinc/30/24/03/568302403.db2.gz JDKJUNOSNSAQHM-CQSZACIVSA-N 0 1 366.458 3.639 20 5 FHBDMN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482193700 568310679 /nfs/dbraw/zinc/31/06/79/568310679.db2.gz PNJDEVRNJVDFJD-SKDRFNHKSA-N 0 1 370.331 3.570 20 5 FHBDMN CC(C)c1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000032097602 568350041 /nfs/dbraw/zinc/35/00/41/568350041.db2.gz BYMKPNODPDEUKO-UHFFFAOYSA-N 0 1 361.379 3.660 20 5 FHBDMN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000570755261 568513450 /nfs/dbraw/zinc/51/34/50/568513450.db2.gz ORJLIDSRJPLOSH-HIFRSBDPSA-N 0 1 364.405 3.798 20 5 FHBDMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833178932 601432017 /nfs/dbraw/zinc/43/20/17/601432017.db2.gz KOWJUYXJTKWERW-BBRMVZONSA-N 0 1 373.409 3.591 20 5 FHBDMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833178932 601432019 /nfs/dbraw/zinc/43/20/19/601432019.db2.gz KOWJUYXJTKWERW-BBRMVZONSA-N 0 1 373.409 3.591 20 5 FHBDMN CC(C)[N@@H+](Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000833538692 604535200 /nfs/dbraw/zinc/53/52/00/604535200.db2.gz VCNMWGDZKINMTE-HNNXBMFYSA-N 0 1 372.421 3.857 20 5 FHBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263500454 604556823 /nfs/dbraw/zinc/55/68/23/604556823.db2.gz KROMNIHNHIXRHV-UHFFFAOYSA-N 0 1 352.774 3.803 20 5 FHBDMN C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833629294 604669347 /nfs/dbraw/zinc/66/93/47/604669347.db2.gz HEIJXEDDJZKFBE-MLGOLLRUSA-N 0 1 374.368 3.679 20 5 FHBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000263459961 604673604 /nfs/dbraw/zinc/67/36/04/604673604.db2.gz BNFRGLIOZOZGPW-QGZVFWFLSA-N 0 1 364.785 3.805 20 5 FHBDMN CC(C)c1ccc(CN(C)Cc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000824347574 608520580 /nfs/dbraw/zinc/52/05/80/608520580.db2.gz DUPHCXBVVLPWER-UHFFFAOYSA-N 0 1 366.425 3.530 20 5 FHBDMN C/C(=C/C(=O)OC[C@@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000784900960 927240190 /nfs/dbraw/zinc/24/01/90/927240190.db2.gz DSUFEFWXCQQNPD-NZHZHZHDSA-N 0 1 370.405 3.799 20 5 FHBDMN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274621727 927246986 /nfs/dbraw/zinc/24/69/86/927246986.db2.gz KYVNSHDAFHWLPU-MRXNPFEDSA-N 0 1 372.377 3.501 20 5 FHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCCc1ccccc1 ZINC001167053846 927504410 /nfs/dbraw/zinc/50/44/10/927504410.db2.gz CGIBHYQPOQKJJK-INIZCTEOSA-N 0 1 355.438 3.877 20 5 FHBDMN CCCCNC(=O)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000583153763 937178985 /nfs/dbraw/zinc/17/89/85/937178985.db2.gz RWMQRCZVTHGDOX-LJQANCHMSA-N 0 1 367.449 3.902 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000430211292 928130666 /nfs/dbraw/zinc/13/06/66/928130666.db2.gz XMVAKLVRXJYKLP-FQEVSTJZSA-N 0 1 370.449 3.865 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000430235166 928374520 /nfs/dbraw/zinc/37/45/20/928374520.db2.gz XUZSLEPXGVCRRQ-FUHWJXTLSA-N 0 1 364.348 3.501 20 5 FHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000535965293 937247614 /nfs/dbraw/zinc/24/76/14/937247614.db2.gz YMAMLHYAJUWKLE-HNNXBMFYSA-N 0 1 356.451 3.979 20 5 FHBDMN CC(C)C[C@@H](N)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000583262420 937295353 /nfs/dbraw/zinc/29/53/53/937295353.db2.gz CDUHFQRYRGXJQI-GFCCVEGCSA-N 0 1 359.411 3.814 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CN(CCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000083172249 929635182 /nfs/dbraw/zinc/63/51/82/929635182.db2.gz XWSKQWFAEKWRMX-GOSISDBHSA-N 0 1 367.405 3.608 20 5 FHBDMN CC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000134064369 929833746 /nfs/dbraw/zinc/83/37/46/929833746.db2.gz LFAVKUAAXFSBNF-UHFFFAOYSA-N 0 1 368.798 3.560 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175833461 929843023 /nfs/dbraw/zinc/84/30/23/929843023.db2.gz OUEYXTLQKNLQAR-HOCLYGCPSA-N 0 1 362.451 3.753 20 5 FHBDMN Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000580023613 929906580 /nfs/dbraw/zinc/90/65/80/929906580.db2.gz ZMQUSZSDDJVPRU-OXJNMPFZSA-N 0 1 367.449 3.663 20 5 FHBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c2ncccc12 ZINC000610410883 930440126 /nfs/dbraw/zinc/44/01/26/930440126.db2.gz ODLPMAQOFSGQNN-UHFFFAOYSA-N 0 1 364.340 3.679 20 5 FHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c2ncccc12 ZINC000610410883 930440133 /nfs/dbraw/zinc/44/01/33/930440133.db2.gz ODLPMAQOFSGQNN-UHFFFAOYSA-N 0 1 364.340 3.679 20 5 FHBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000610420425 930489738 /nfs/dbraw/zinc/48/97/38/930489738.db2.gz ZNMUEYACHMDNHQ-RDTXWAMCSA-N 0 1 371.437 3.522 20 5 FHBDMN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167434213 931140147 /nfs/dbraw/zinc/14/01/47/931140147.db2.gz SQXMKFXKBGSAOM-LALPHHSUSA-N 0 1 351.834 3.840 20 5 FHBDMN COc1ccc(C2(NCc3ccc([N+](=O)[O-])cc3F)CCOCC2)cc1 ZINC000610481073 931586010 /nfs/dbraw/zinc/58/60/10/931586010.db2.gz SIPOJXBJOFIZAH-UHFFFAOYSA-N 0 1 360.385 3.538 20 5 FHBDMN CCOc1ccc([C@H](C)N[C@H](CO)c2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000090844074 932354128 /nfs/dbraw/zinc/35/41/28/932354128.db2.gz CFBZYBVDHUPVJX-KBXCAEBGSA-N 0 1 358.438 3.940 20 5 FHBDMN COc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000051212582 932612553 /nfs/dbraw/zinc/61/25/53/932612553.db2.gz OGLSZQJGRVWBEK-UHFFFAOYSA-N 0 1 352.337 3.837 20 5 FHBDMN CCOc1ccc(NC(=O)CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000610805369 934448779 /nfs/dbraw/zinc/44/87/79/934448779.db2.gz XUMWYCDEMNZUDB-SFHVURJKSA-N 0 1 357.410 3.673 20 5 FHBDMN CN1CCC[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000610859164 934533283 /nfs/dbraw/zinc/53/32/83/934533283.db2.gz FYDWAPJAKDGBGS-HNNXBMFYSA-N 0 1 371.462 3.570 20 5 FHBDMN COCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000176637759 934822643 /nfs/dbraw/zinc/82/26/43/934822643.db2.gz RDQWPWIVETZLAQ-UHFFFAOYSA-N 0 1 370.814 3.504 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000119608426 934915456 /nfs/dbraw/zinc/91/54/56/934915456.db2.gz RUSXIIFIGTVFAB-UHFFFAOYSA-N 0 1 360.313 3.723 20 5 FHBDMN COc1ccc(OC)c(CN(CCOc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000065533728 934963733 /nfs/dbraw/zinc/96/37/33/934963733.db2.gz ZLSQADNYXHPIMK-UHFFFAOYSA-N 0 1 372.421 3.655 20 5 FHBDMN O=[N+]([O-])c1ccccc1OCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000051429998 935247014 /nfs/dbraw/zinc/24/70/14/935247014.db2.gz RPVQNCPHUOULBY-OAHLLOKOSA-N 0 1 362.451 3.716 20 5 FHBDMN CC(C)(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000551723247 935334038 /nfs/dbraw/zinc/33/40/38/935334038.db2.gz YSBJLUZSMRJJAA-UHFFFAOYSA-N 0 1 373.840 3.662 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000507280857 945104971 /nfs/dbraw/zinc/10/49/71/945104971.db2.gz JYHSQKAGVGKKDV-UHFFFAOYSA-N 0 1 358.781 3.883 20 5 FHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000110141562 935564703 /nfs/dbraw/zinc/56/47/03/935564703.db2.gz YSQGYJRVZYFTTD-UHFFFAOYSA-N 0 1 365.798 3.839 20 5 FHBDMN O=C(Nc1ccc(Cl)cc1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000478587172 935655534 /nfs/dbraw/zinc/65/55/34/935655534.db2.gz DOVVKAZMVCWYBV-UHFFFAOYSA-N 0 1 358.684 3.808 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2scnc2c1 ZINC000509566597 945119908 /nfs/dbraw/zinc/11/99/08/945119908.db2.gz FYMAXQOKYJQVCT-UHFFFAOYSA-N 0 1 363.420 3.568 20 5 FHBDMN CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)Cc1ccsc1 ZINC000187795244 936019436 /nfs/dbraw/zinc/01/94/36/936019436.db2.gz OTKYSMYQRZIDJP-CQSZACIVSA-N 0 1 361.467 3.856 20 5 FHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)Cc1ccsc1 ZINC000187795244 936019439 /nfs/dbraw/zinc/01/94/39/936019439.db2.gz OTKYSMYQRZIDJP-CQSZACIVSA-N 0 1 361.467 3.856 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000135634688 936051545 /nfs/dbraw/zinc/05/15/45/936051545.db2.gz GZOFMXUWUACPBB-UHFFFAOYSA-N 0 1 353.208 3.764 20 5 FHBDMN Cc1cc(N2CC(c3nc4ccccc4[nH]3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611928862 936092819 /nfs/dbraw/zinc/09/28/19/936092819.db2.gz XNOYXDAYHUFSFH-UHFFFAOYSA-N 0 1 359.389 3.932 20 5 FHBDMN COc1cccc(C2(NCc3cccc([N+](=O)[O-])c3)CCOCC2)c1F ZINC000582824949 936173957 /nfs/dbraw/zinc/17/39/57/936173957.db2.gz RPORZDOWSCCMQE-UHFFFAOYSA-N 0 1 360.385 3.538 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691425 936208313 /nfs/dbraw/zinc/20/83/13/936208313.db2.gz LDBIDPFYFIUSSX-NEPJUHHUSA-N 0 1 363.364 3.859 20 5 FHBDMN CCOc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178691666 936208976 /nfs/dbraw/zinc/20/89/76/936208976.db2.gz QZBRDUZQLAVTGH-CABCVRRESA-N 0 1 371.437 3.980 20 5 FHBDMN C[N@@H+](Cc1ccccc1)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000583567439 938305548 /nfs/dbraw/zinc/30/55/48/938305548.db2.gz XZNYBJSGQBQUTE-LJQANCHMSA-N 0 1 369.421 3.616 20 5 FHBDMN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507361158 945178861 /nfs/dbraw/zinc/17/88/61/945178861.db2.gz MHRCGMXGABXLER-INIZCTEOSA-N 0 1 356.353 3.805 20 5 FHBDMN COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052866455 938636591 /nfs/dbraw/zinc/63/65/91/938636591.db2.gz GPKCXJGJPCRACL-SFHVURJKSA-N 0 1 356.422 3.785 20 5 FHBDMN COc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052866455 938636594 /nfs/dbraw/zinc/63/65/94/938636594.db2.gz GPKCXJGJPCRACL-SFHVURJKSA-N 0 1 356.422 3.785 20 5 FHBDMN Cc1cc(C)c(S(=O)(=O)Nc2cccc3ccncc32)cc1[N+](=O)[O-] ZINC000584267899 938665442 /nfs/dbraw/zinc/66/54/42/938665442.db2.gz CKUSPLSELVSYFL-UHFFFAOYSA-N 0 1 357.391 3.561 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472341977 939001176 /nfs/dbraw/zinc/00/11/76/939001176.db2.gz IBFIPHMORVLIFN-FUHWJXTLSA-N 0 1 367.449 3.795 20 5 FHBDMN CCc1[nH]nc(C(=O)N(Cc2ccco2)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000188295832 939150521 /nfs/dbraw/zinc/15/05/21/939150521.db2.gz FNSOCFVZYRQBCB-UHFFFAOYSA-N 0 1 374.422 3.686 20 5 FHBDMN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179764959 939932924 /nfs/dbraw/zinc/93/29/24/939932924.db2.gz YTFUXKHNCGLOIM-LBPRGKRZSA-N 0 1 357.385 3.933 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000177129677 939943166 /nfs/dbraw/zinc/94/31/66/939943166.db2.gz WKTWZWSSMFEGEZ-RDJZCZTQSA-N 0 1 360.410 3.675 20 5 FHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177151439 939965009 /nfs/dbraw/zinc/96/50/09/939965009.db2.gz URPXJMKTIVGEAF-LJQANCHMSA-N 0 1 352.390 3.924 20 5 FHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000179862187 940014232 /nfs/dbraw/zinc/01/42/32/940014232.db2.gz XSOLOEQHJFRWOW-UHFFFAOYSA-N 0 1 350.256 3.800 20 5 FHBDMN CC[C@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000411389442 940041054 /nfs/dbraw/zinc/04/10/54/940041054.db2.gz PQGOXCLPTDVQIT-KRWDZBQOSA-N 0 1 362.455 3.603 20 5 FHBDMN Cc1ccc2nc(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000431669142 940235002 /nfs/dbraw/zinc/23/50/02/940235002.db2.gz FABGEGIHGBXRGK-UHFFFAOYSA-N 0 1 367.409 3.514 20 5 FHBDMN CC[C@@H](NCc1ccc(C(=O)OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181687926 945316282 /nfs/dbraw/zinc/31/62/82/945316282.db2.gz WEOKSGQKAHGHCP-QGZVFWFLSA-N 0 1 358.394 3.631 20 5 FHBDMN CC[C@@H]1CCCN1Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000511479152 940593622 /nfs/dbraw/zinc/59/36/22/940593622.db2.gz PXYOFXMLKVOYBN-GFCCVEGCSA-N 0 1 362.348 3.919 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(SC(F)F)c2)cc1 ZINC000066588465 940701234 /nfs/dbraw/zinc/70/12/34/940701234.db2.gz NPWWPHKSTBCLPS-UHFFFAOYSA-N 0 1 360.363 3.710 20 5 FHBDMN Cn1ccnc1[C@@H](NC1CCC(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414193299 940740089 /nfs/dbraw/zinc/74/00/89/940740089.db2.gz SZTBOIOCNLUQGX-XUJLQICISA-N 0 1 364.396 3.831 20 5 FHBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc1SC ZINC000180330878 940973530 /nfs/dbraw/zinc/97/35/30/940973530.db2.gz JRGQYEPTDBSUJX-UHFFFAOYSA-N 0 1 372.406 3.762 20 5 FHBDMN C[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417893 941004615 /nfs/dbraw/zinc/00/46/15/941004615.db2.gz SZCOZUCOGWNZPW-XOBRGWDASA-N 0 1 353.422 3.513 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452058842 941009652 /nfs/dbraw/zinc/00/96/52/941009652.db2.gz JKOXDBBERPRFHN-KRWDZBQOSA-N 0 1 362.451 3.658 20 5 FHBDMN CC(C)[C@@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180435521 941014560 /nfs/dbraw/zinc/01/45/60/941014560.db2.gz LYAOFONAUSXDHH-MGPUTAFESA-N 0 1 355.438 3.759 20 5 FHBDMN C[C@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180438917 941014728 /nfs/dbraw/zinc/01/47/28/941014728.db2.gz GTCUWBWLRMQTMS-NSHDSACASA-N 0 1 367.327 3.903 20 5 FHBDMN CCC[C@@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444174 941017565 /nfs/dbraw/zinc/01/75/65/941017565.db2.gz SMLVWNPSSCMJFJ-HNAYVOBHSA-N 0 1 355.438 3.903 20 5 FHBDMN C[C@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180450797 941018393 /nfs/dbraw/zinc/01/83/93/941018393.db2.gz HJXCAQGZDUPEGA-STQMWFEESA-N 0 1 361.829 3.776 20 5 FHBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCC3=O)c(C)cc1[N+](=O)[O-] ZINC000414381144 941073778 /nfs/dbraw/zinc/07/37/78/941073778.db2.gz IADUBPBGRSIIBH-UHFFFAOYSA-N 0 1 374.418 3.531 20 5 FHBDMN C[C@@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000189053380 941145571 /nfs/dbraw/zinc/14/55/71/941145571.db2.gz QJQUYXKNORURIN-CQSZACIVSA-N 0 1 354.385 3.830 20 5 FHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000311251125 941151623 /nfs/dbraw/zinc/15/16/23/941151623.db2.gz PDPQELFAEFPTIJ-OAHLLOKOSA-N 0 1 373.840 3.643 20 5 FHBDMN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)c1ccccc1 ZINC000181533922 941528589 /nfs/dbraw/zinc/52/85/89/941528589.db2.gz MDZZOFWRJBZBAH-UONOGXRCSA-N 0 1 352.394 3.927 20 5 FHBDMN C[C@H](c1ccccc1)[C@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000181537739 941538164 /nfs/dbraw/zinc/53/81/64/941538164.db2.gz CSTUKUGQXNWXJQ-KBPBESRZSA-N 0 1 352.394 3.927 20 5 FHBDMN Cc1ccc(C(=O)NC2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000051098649 941705255 /nfs/dbraw/zinc/70/52/55/941705255.db2.gz GMHGWUIHAHOTFA-AWEZNQCLSA-N 0 1 373.478 3.920 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513261188 941814084 /nfs/dbraw/zinc/81/40/84/941814084.db2.gz MCTCQNMHQWPKJF-AUUYWEPGSA-N 0 1 353.422 3.925 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000433669810 941827775 /nfs/dbraw/zinc/82/77/75/941827775.db2.gz MSTCPYCUDGDJHV-JTQLQIEISA-N 0 1 350.806 3.928 20 5 FHBDMN COc1ccccc1O[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000513361367 941869453 /nfs/dbraw/zinc/86/94/53/941869453.db2.gz JNSFQIXHMFTEKZ-GOSISDBHSA-N 0 1 372.421 3.526 20 5 FHBDMN CCCN(CCc1cccc(F)c1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433748780 941872737 /nfs/dbraw/zinc/87/27/37/941872737.db2.gz MKZLAFMDPDUTLN-UHFFFAOYSA-N 0 1 362.405 3.675 20 5 FHBDMN COc1ccccc1O[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000513386810 941884716 /nfs/dbraw/zinc/88/47/16/941884716.db2.gz QQFOGZUFFQRNEA-INIZCTEOSA-N 0 1 372.421 3.526 20 5 FHBDMN CC(C)[C@@H](C)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000433782230 941888310 /nfs/dbraw/zinc/88/83/10/941888310.db2.gz HRLRDQGVJRBHEU-GFCCVEGCSA-N 0 1 362.455 3.633 20 5 FHBDMN Cc1cc(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000433788364 941897825 /nfs/dbraw/zinc/89/78/25/941897825.db2.gz FESROQLKMSHUMU-BZNIZROVSA-N 0 1 369.343 3.591 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1ccccc1N1CCOCC1 ZINC000182618891 941947745 /nfs/dbraw/zinc/94/77/45/941947745.db2.gz QOHLBEJDFYZGGE-KRWDZBQOSA-N 0 1 369.465 3.933 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3cccc(F)c3)C2)c2c(c1)COCO2 ZINC000513461201 941948884 /nfs/dbraw/zinc/94/88/84/941948884.db2.gz KSFSNQUAIDEDQF-AWEZNQCLSA-N 0 1 358.369 3.590 20 5 FHBDMN CN(Cc1ccccc1)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000513548070 942007043 /nfs/dbraw/zinc/00/70/43/942007043.db2.gz IJQUHVMIJQANFH-UHFFFAOYSA-N 0 1 374.828 3.596 20 5 FHBDMN Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182927061 942007273 /nfs/dbraw/zinc/00/72/73/942007273.db2.gz PUQSVECNUGLWOU-UHFFFAOYSA-N 0 1 351.156 3.624 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049492 942249815 /nfs/dbraw/zinc/24/98/15/942249815.db2.gz KRDGEFOYJGQSLF-KGLIPLIRSA-N 0 1 362.451 3.719 20 5 FHBDMN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000501283161 942372247 /nfs/dbraw/zinc/37/22/47/942372247.db2.gz LCBSFHWPBXWXOT-HNNXBMFYSA-N 0 1 366.421 3.955 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000434242291 942542775 /nfs/dbraw/zinc/54/27/75/942542775.db2.gz LHCIKUMHKBCWQC-SMDDNHRTSA-N 0 1 360.389 3.804 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000434246430 942546440 /nfs/dbraw/zinc/54/64/40/942546440.db2.gz SQMPHSIZWZZWFT-BXUZGUMPSA-N 0 1 360.389 3.804 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000434246432 942546586 /nfs/dbraw/zinc/54/65/86/942546586.db2.gz SQMPHSIZWZZWFT-RISCZKNCSA-N 0 1 360.389 3.804 20 5 FHBDMN COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000413246426 942560987 /nfs/dbraw/zinc/56/09/87/942560987.db2.gz ZNDRTHQCHVRMNN-ZWKOTPCHSA-N 0 1 372.400 3.527 20 5 FHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000434558571 942755531 /nfs/dbraw/zinc/75/55/31/942755531.db2.gz LCJLPRLIARSAOO-UHFFFAOYSA-N 0 1 374.828 3.853 20 5 FHBDMN CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421720300 942776115 /nfs/dbraw/zinc/77/61/15/942776115.db2.gz BFYKVPBLJRWHFZ-INIZCTEOSA-N 0 1 364.405 3.879 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000421740735 942780991 /nfs/dbraw/zinc/78/09/91/942780991.db2.gz LOJCYKHZCIWRIK-UHFFFAOYSA-N 0 1 367.449 3.560 20 5 FHBDMN Cc1ccc([C@]2(C)CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000434747004 942937752 /nfs/dbraw/zinc/93/77/52/942937752.db2.gz NSYBFJNVMRGYGS-OAQYLSRUSA-N 0 1 367.449 3.530 20 5 FHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000505592109 943110469 /nfs/dbraw/zinc/11/04/69/943110469.db2.gz WRNSOGBCXWYIHR-OAHLLOKOSA-N 0 1 372.425 3.600 20 5 FHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000505615260 943194291 /nfs/dbraw/zinc/19/42/91/943194291.db2.gz RWYFMMSFLZVPTH-UHFFFAOYSA-N 0 1 361.392 3.581 20 5 FHBDMN O=[N+]([O-])c1ccc(CCN2CCc3c(Br)cccc3C2)cc1 ZINC000503561940 943249437 /nfs/dbraw/zinc/24/94/37/943249437.db2.gz HDYFTGZGRVUIPD-UHFFFAOYSA-N 0 1 361.239 3.958 20 5 FHBDMN CN1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000435230965 943268739 /nfs/dbraw/zinc/26/87/39/943268739.db2.gz FKRJCSMHIRHFOD-UHFFFAOYSA-N 0 1 361.829 3.788 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425368363 943381419 /nfs/dbraw/zinc/38/14/19/943381419.db2.gz FBFYKSIWRQTHME-LJQANCHMSA-N 0 1 360.454 3.775 20 5 FHBDMN NC1(c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CCCCC1 ZINC000424338776 943869765 /nfs/dbraw/zinc/86/97/65/943869765.db2.gz AZPWEMHZRLDVKB-UHFFFAOYSA-N 0 1 356.304 3.782 20 5 FHBDMN CN1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000425917742 944159803 /nfs/dbraw/zinc/15/98/03/944159803.db2.gz GWWSYADPXXHIKQ-UHFFFAOYSA-N 0 1 371.462 3.524 20 5 FHBDMN C[S@@](=O)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287293 944165642 /nfs/dbraw/zinc/16/56/42/944165642.db2.gz UHGRXIAXBLRHKN-IQGLISFBSA-N 0 1 358.463 3.575 20 5 FHBDMN Cc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000473767768 944384540 /nfs/dbraw/zinc/38/45/40/944384540.db2.gz UNXHSGNWUBEOLQ-UHFFFAOYSA-N 0 1 354.815 3.974 20 5 FHBDMN C[C@H]1[C@H](CO)CCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000425998163 944586171 /nfs/dbraw/zinc/58/61/71/944586171.db2.gz GHKNJJONXJKSRJ-ZFWWWQNUSA-N 0 1 360.385 3.729 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1O ZINC000436748159 944587079 /nfs/dbraw/zinc/58/70/79/944587079.db2.gz QWTPEOZFBGYMNN-UHFFFAOYSA-N 0 1 351.156 3.624 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000517791940 944618007 /nfs/dbraw/zinc/61/80/07/944618007.db2.gz VCYSMJIZGVUVIV-UHFFFAOYSA-N 0 1 356.357 3.821 20 5 FHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)c2c(F)cccc2F)o1 ZINC000123967693 944749766 /nfs/dbraw/zinc/74/97/66/944749766.db2.gz PIMBAOPYHUNPNC-KRWDZBQOSA-N 0 1 374.343 3.956 20 5 FHBDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000506620298 944764108 /nfs/dbraw/zinc/76/41/08/944764108.db2.gz VMJRTOSZXYXNTA-MRXNPFEDSA-N 0 1 358.394 3.655 20 5 FHBDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000506620298 944764116 /nfs/dbraw/zinc/76/41/16/944764116.db2.gz VMJRTOSZXYXNTA-MRXNPFEDSA-N 0 1 358.394 3.655 20 5 FHBDMN COc1cc(CN2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000506659850 944911234 /nfs/dbraw/zinc/91/12/34/944911234.db2.gz GNTGKLVDWHSGPZ-UHFFFAOYSA-N 0 1 372.421 3.697 20 5 FHBDMN Cc1ccc(-c2noc([C@H](C)NCc3cc(O)ccc3[N+](=O)[O-])n2)cc1F ZINC000519005253 945023124 /nfs/dbraw/zinc/02/31/24/945023124.db2.gz OEGCAAFFJCPVMT-NSHDSACASA-N 0 1 372.356 3.649 20 5 FHBDMN Cc1nc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1C(=O)[O-] ZINC000426645220 945471612 /nfs/dbraw/zinc/47/16/12/945471612.db2.gz CDJJJAMXKMKBGG-UHFFFAOYSA-N 0 1 367.361 3.546 20 5 FHBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3nccc4sccc43)CC2)cc1 ZINC000519530585 945663418 /nfs/dbraw/zinc/66/34/18/945663418.db2.gz DIVMZTVWIHYPTG-UHFFFAOYSA-N 0 1 368.462 3.569 20 5 FHBDMN O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473644049 945679847 /nfs/dbraw/zinc/67/98/47/945679847.db2.gz BUYUKQRZHPPWDQ-OCCSQVGLSA-N 0 1 368.368 3.676 20 5 FHBDMN Cc1ccccc1[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549545526 946057457 /nfs/dbraw/zinc/05/74/57/946057457.db2.gz YJLIWLXSTHMAQV-MRXNPFEDSA-N 0 1 354.328 3.745 20 5 FHBDMN CCOc1ccc(NC(=O)CN2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000444240756 946117010 /nfs/dbraw/zinc/11/70/10/946117010.db2.gz DGGAWPPBKJCSDC-JKIFEVAISA-N 0 1 361.442 3.585 20 5 FHBDMN O=C(Nc1nc(-c2ccsc2)ns1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000109109919 946148594 /nfs/dbraw/zinc/14/85/94/946148594.db2.gz SUCBPQUAWGACTQ-UHFFFAOYSA-N 0 1 368.346 3.705 20 5 FHBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438502356 946374801 /nfs/dbraw/zinc/37/48/01/946374801.db2.gz VZRGSXSQYBQZNK-KKSFZXQISA-N 0 1 367.449 3.894 20 5 FHBDMN CCS[C@H]1CCCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000112090127 946658207 /nfs/dbraw/zinc/65/82/07/946658207.db2.gz ZJJCMLRPTQVCPL-INIZCTEOSA-N 0 1 352.456 3.569 20 5 FHBDMN CCSc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000473148827 946712547 /nfs/dbraw/zinc/71/25/47/946712547.db2.gz RIYAYZXSYCXBDH-HNNXBMFYSA-N 0 1 358.467 3.788 20 5 FHBDMN COc1ccccc1[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093593310 946795491 /nfs/dbraw/zinc/79/54/91/946795491.db2.gz UQZZBLQBJZKHLR-CQSZACIVSA-N 0 1 372.421 3.610 20 5 FHBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000475600095 946869024 /nfs/dbraw/zinc/86/90/24/946869024.db2.gz FDTLWPMWRCSCJO-MRXNPFEDSA-N 0 1 366.377 3.572 20 5 FHBDMN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475315905 946878350 /nfs/dbraw/zinc/87/83/50/946878350.db2.gz YJOOJAJKYQHXFC-OAHLLOKOSA-N 0 1 373.840 3.595 20 5 FHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000843771473 946927596 /nfs/dbraw/zinc/92/75/96/946927596.db2.gz KZPFXRDAQZCJBB-GDBMZVCRSA-N 0 1 371.412 3.608 20 5 FHBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000444356824 947123774 /nfs/dbraw/zinc/12/37/74/947123774.db2.gz FMIBOJFZVOKIQU-ZMSDIMECSA-N 0 1 368.437 3.679 20 5 FHBDMN CC(C)c1ccc(CN(C)C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000511959228 947171060 /nfs/dbraw/zinc/17/10/60/947171060.db2.gz XZMODKCMHNAZJW-IBGZPJMESA-N 0 1 372.465 3.728 20 5 FHBDMN C[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373052 947230910 /nfs/dbraw/zinc/23/09/10/947230910.db2.gz FXBRHKKUBRXHOS-UONOGXRCSA-N 0 1 364.829 3.681 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445168668 947565873 /nfs/dbraw/zinc/56/58/73/947565873.db2.gz XDQGESKKYTUWIS-UHFFFAOYSA-N 0 1 359.430 3.896 20 5 FHBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440730343 947740118 /nfs/dbraw/zinc/74/01/18/947740118.db2.gz JFVPIVVCBWLJCT-GFCCVEGCSA-N 0 1 360.757 3.695 20 5 FHBDMN O=[N+]([O-])c1ccc(NC(=S)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000007585009 948071860 /nfs/dbraw/zinc/07/18/60/948071860.db2.gz JSIZPLXNAZIMDM-MRXNPFEDSA-N 0 1 374.466 3.701 20 5 FHBDMN C/C(=C/C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785359644 948077079 /nfs/dbraw/zinc/07/70/79/948077079.db2.gz KZSHCYFSLQPPMZ-IFMUVIIVSA-N 0 1 371.412 3.556 20 5 FHBDMN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1[N+](=O)[O-] ZINC000512002704 948152169 /nfs/dbraw/zinc/15/21/69/948152169.db2.gz TVSOCHIWOPIWBH-UHFFFAOYSA-N 0 1 365.393 3.930 20 5 FHBDMN Cc1ccc([C@H]2CSCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000432343143 948170055 /nfs/dbraw/zinc/17/00/55/948170055.db2.gz RRWSNSXTBHWRRW-QGZVFWFLSA-N 0 1 358.419 3.539 20 5 FHBDMN CCCOc1ccc(Cl)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432470378 948524183 /nfs/dbraw/zinc/52/41/83/948524183.db2.gz SVENSXLSXLDSOP-UHFFFAOYSA-N 0 1 350.758 3.995 20 5 FHBDMN O=C(Nc1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000182117329 948813868 /nfs/dbraw/zinc/81/38/68/948813868.db2.gz FHNHMYOVAGTYJP-UHFFFAOYSA-N 0 1 350.356 3.566 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1 ZINC000541798777 567853968 /nfs/dbraw/zinc/85/39/68/567853968.db2.gz LRKKVICETHHLTB-UHFFFAOYSA-N 0 1 363.420 3.622 20 5 FHBDMN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602583517 567994045 /nfs/dbraw/zinc/99/40/45/567994045.db2.gz XVBABKPRXGJLGT-VOJFVSQTSA-N 0 1 359.357 3.741 20 5 FHBDMN O=[N+]([O-])c1cc(F)c(CSc2nc(-c3ccccc3O)n[nH]2)c(F)c1 ZINC000436604104 568033907 /nfs/dbraw/zinc/03/39/07/568033907.db2.gz IWCLUQHIUNUHQL-UHFFFAOYSA-N 0 1 364.333 3.656 20 5 FHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481607650 568064965 /nfs/dbraw/zinc/06/49/65/568064965.db2.gz CWGAGAFMWZCMSY-OAHLLOKOSA-N 0 1 358.413 3.865 20 5 FHBDMN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181883041 568099868 /nfs/dbraw/zinc/09/98/68/568099868.db2.gz USFASXXTHQHJBH-GFCCVEGCSA-N 0 1 357.801 3.680 20 5 FHBDMN CC(C)(C)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000482142442 568288478 /nfs/dbraw/zinc/28/84/78/568288478.db2.gz PDZNCMDOOVAKLE-LLVKDONJSA-N 0 1 358.320 3.568 20 5 FHBDMN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000584699391 568349087 /nfs/dbraw/zinc/34/90/87/568349087.db2.gz VNXOVSUUCOYMNG-VIFPVBQESA-N 0 1 358.295 3.860 20 5 FHBDMN CC(C)c1nc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccn21 ZINC000569582097 568408362 /nfs/dbraw/zinc/40/83/62/568408362.db2.gz XRRGUUTXOZUDGP-UHFFFAOYSA-N 0 1 364.409 3.532 20 5 FHBDMN Cn1ccnc1[C@H](NC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000570470149 568482551 /nfs/dbraw/zinc/48/25/51/568482551.db2.gz BLYIOILEQCPTGD-OAHLLOKOSA-N 0 1 350.369 3.585 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000482243806 568522315 /nfs/dbraw/zinc/52/23/15/568522315.db2.gz RCLQVALJHMKTNF-UHFFFAOYSA-N 0 1 374.441 3.790 20 5 FHBDMN COCOc1ccc(OC)cc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120403505 568540458 /nfs/dbraw/zinc/54/04/58/568540458.db2.gz SWZBVTOQOLZLPH-CQSZACIVSA-N 0 1 360.410 3.745 20 5 FHBDMN C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000736606909 600239580 /nfs/dbraw/zinc/23/95/80/600239580.db2.gz NDBDJUCVJZUXOF-GDXASINISA-N 0 1 369.421 3.625 20 5 FHBDMN CCCC[N@@H+](C)CC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000567980107 601545095 /nfs/dbraw/zinc/54/50/95/601545095.db2.gz MKAHGDOQRRDRGE-UHFFFAOYSA-N 0 1 363.458 3.550 20 5 FHBDMN CC(C)(c1nc(-c2ccn3cncc3c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000514757323 937078973 /nfs/dbraw/zinc/07/89/73/937078973.db2.gz JINXBVVPHVTAJI-UHFFFAOYSA-N 0 1 367.340 3.758 20 5 FHBDMN C/C(=C\C(=O)OC[C@@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000784900962 927239726 /nfs/dbraw/zinc/23/97/26/927239726.db2.gz DSUFEFWXCQQNPD-XOVFHRFOSA-N 0 1 370.405 3.799 20 5 FHBDMN Cc1c(CN2CCC(O)(Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000186946359 927599879 /nfs/dbraw/zinc/59/98/79/927599879.db2.gz MESUDEIUIUCPGO-UHFFFAOYSA-N 0 1 358.413 3.612 20 5 FHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1F ZINC000120194715 927603033 /nfs/dbraw/zinc/60/30/33/927603033.db2.gz JMNRHFFNQVTRID-UHFFFAOYSA-N 0 1 374.777 3.505 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000430203915 927999817 /nfs/dbraw/zinc/99/98/17/927999817.db2.gz POJNVIOQBHVTDN-UHFFFAOYSA-N 0 1 366.421 3.859 20 5 FHBDMN CCOc1ccc([C@H](C)N[C@@H](CCO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000154291278 928692661 /nfs/dbraw/zinc/69/26/61/928692661.db2.gz 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363.458 3.781 20 5 FHBDMN Cc1c([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000178202220 932842385 /nfs/dbraw/zinc/84/23/85/932842385.db2.gz PGJGGZAFVZXRCM-JTQLQIEISA-N 0 1 367.327 3.610 20 5 FHBDMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000178206701 932880210 /nfs/dbraw/zinc/88/02/10/932880210.db2.gz HPRCUEFRMUVHEA-CQSZACIVSA-N 0 1 357.410 3.671 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000610917257 932930577 /nfs/dbraw/zinc/93/05/77/932930577.db2.gz OGMRDNUTOBBCIM-CQSZACIVSA-N 0 1 359.430 3.537 20 5 FHBDMN CO[C@]1(C)C[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001167490564 933076219 /nfs/dbraw/zinc/07/62/19/933076219.db2.gz DMLOYNAVVPSAIF-GDBMZVCRSA-N 0 1 371.275 3.993 20 5 FHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000588444858 933105800 /nfs/dbraw/zinc/10/58/00/933105800.db2.gz NVROKZIDOUYWHU-RNUYOQPASA-N 0 1 371.412 3.556 20 5 FHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 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ZINC000472286945 938260911 /nfs/dbraw/zinc/26/09/11/938260911.db2.gz YACOYZGYFCXZEW-LJQANCHMSA-N 0 1 367.449 3.688 20 5 FHBDMN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000506734897 945161575 /nfs/dbraw/zinc/16/15/75/945161575.db2.gz LTSBLVPWVVSQOJ-SFHVURJKSA-N 0 1 358.394 3.655 20 5 FHBDMN CCSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000583665607 938349254 /nfs/dbraw/zinc/34/92/54/938349254.db2.gz GPALVFXDFPOPAA-UHFFFAOYSA-N 0 1 352.437 3.649 20 5 FHBDMN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000161929514 938463370 /nfs/dbraw/zinc/46/33/70/938463370.db2.gz OERCMBJJHAMGRN-MRXNPFEDSA-N 0 1 355.438 3.603 20 5 FHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472308465 938491031 /nfs/dbraw/zinc/49/10/31/938491031.db2.gz AABVJPZXPLEQOH-JZXOWHBKSA-N 0 1 367.449 3.875 20 5 FHBDMN COc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000584433195 938873499 /nfs/dbraw/zinc/87/34/99/938873499.db2.gz 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ZINC000246892015 928334008 /nfs/dbraw/zinc/33/40/08/928334008.db2.gz BOQWALBPCAAMPH-GDBMZVCRSA-N 0 1 351.410 3.578 20 5 FHBDMN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000027604834 937243706 /nfs/dbraw/zinc/24/37/06/937243706.db2.gz NTSQXHNGLNFGSA-MRXNPFEDSA-N 0 1 359.451 3.532 20 5 FHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1C ZINC000157710405 928505340 /nfs/dbraw/zinc/50/53/40/928505340.db2.gz ZDIAKTADYOJRDG-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN COc1ccc(NC(=O)[C@H](C)N(C)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854077 929216512 /nfs/dbraw/zinc/21/65/12/929216512.db2.gz GZGVUSADDFLELD-GJZGRUSLSA-N 0 1 371.437 3.666 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000579498049 930392301 /nfs/dbraw/zinc/39/23/01/930392301.db2.gz QYJSXZYORNHLGV-FQEVSTJZSA-N 0 1 371.412 3.803 20 5 FHBDMN C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610420570 930494664 /nfs/dbraw/zinc/49/46/64/930494664.db2.gz XTOTWQKIBLSMTM-VUCTXSBTSA-N 0 1 368.355 3.780 20 5 FHBDMN C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610420571 930494785 /nfs/dbraw/zinc/49/47/85/930494785.db2.gz XTOTWQKIBLSMTM-ZLIFDBKOSA-N 0 1 368.355 3.780 20 5 FHBDMN C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420530 930494933 /nfs/dbraw/zinc/49/49/33/930494933.db2.gz KMPZCVOTJKVTAK-XGWLTEMNSA-N 0 1 368.355 3.780 20 5 FHBDMN C[C@H](NCC(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177763721 930673717 /nfs/dbraw/zinc/67/37/17/930673717.db2.gz DKSNAJGNNUPUGF-LBPRGKRZSA-N 0 1 361.467 3.889 20 5 FHBDMN CCC[C@H](NCC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119104830 930675291 /nfs/dbraw/zinc/67/52/91/930675291.db2.gz ABKBIPHSUYUWHQ-IBGZPJMESA-N 0 1 355.438 3.684 20 5 FHBDMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000091827127 930831598 /nfs/dbraw/zinc/83/15/98/930831598.db2.gz JMZGFFMRXRKUEK-LLVKDONJSA-N 0 1 356.407 3.899 20 5 FHBDMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580726593 931063803 /nfs/dbraw/zinc/06/38/03/931063803.db2.gz XCWMZCWWCJYDRQ-QFBILLFUSA-N 0 1 354.406 3.909 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000610505243 932014646 /nfs/dbraw/zinc/01/46/46/932014646.db2.gz DFVKIPBUGDFNBC-GOSISDBHSA-N 0 1 357.385 3.818 20 5 FHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000581445184 932079345 /nfs/dbraw/zinc/07/93/45/932079345.db2.gz QEIUMSQOJOLHEC-LBPRGKRZSA-N 0 1 374.393 3.927 20 5 FHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000477286958 932453188 /nfs/dbraw/zinc/45/31/88/932453188.db2.gz LYVXHQJWZZNNGT-MRXNPFEDSA-N 0 1 373.840 3.561 20 5 FHBDMN CC(C)COc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000178206433 932892402 /nfs/dbraw/zinc/89/24/02/932892402.db2.gz FVNUBTNYJMQVAN-OAHLLOKOSA-N 0 1 371.437 3.919 20 5 FHBDMN COc1cc(OC)c(OC)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178316624 933119459 /nfs/dbraw/zinc/11/94/59/933119459.db2.gz ATKISFLXMNFIRT-CYBMUJFWSA-N 0 1 360.410 3.780 20 5 FHBDMN Cc1c([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000610575372 933148358 /nfs/dbraw/zinc/14/83/58/933148358.db2.gz SVLFCUXZDNTYRK-GFCCVEGCSA-N 0 1 370.384 3.784 20 5 FHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176114968 934147929 /nfs/dbraw/zinc/14/79/29/934147929.db2.gz XYXPBGBBKLDJBD-UHFFFAOYSA-N 0 1 370.365 3.755 20 5 FHBDMN Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c1 ZINC000024058707 934459515 /nfs/dbraw/zinc/45/95/15/934459515.db2.gz YISRKRBHGPADTP-UHFFFAOYSA-N 0 1 362.433 3.774 20 5 FHBDMN Cc1noc(C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277042865 934464705 /nfs/dbraw/zinc/46/47/05/934464705.db2.gz GIEVAVFYVUSEJD-ACJLOTCBSA-N 0 1 352.394 3.921 20 5 FHBDMN CC(C)OC1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611560882 934846047 /nfs/dbraw/zinc/84/60/47/934846047.db2.gz VZSSKCCJXWIQJY-KVZIAJEVSA-N 0 1 372.469 3.744 20 5 FHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000538570934 934869079 /nfs/dbraw/zinc/86/90/79/934869079.db2.gz IOTKEVFGZCFUJL-OAHLLOKOSA-N 0 1 365.499 3.653 20 5 FHBDMN CC[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000506716420 945072348 /nfs/dbraw/zinc/07/23/48/945072348.db2.gz CASISDKERWLWPK-AWEZNQCLSA-N 0 1 364.785 3.541 20 5 FHBDMN Cc1cnc(CCN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000157420704 935071766 /nfs/dbraw/zinc/07/17/66/935071766.db2.gz IYTCBANEGNALIN-GFCCVEGCSA-N 0 1 373.438 3.645 20 5 FHBDMN Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2n1C ZINC000551386429 935273606 /nfs/dbraw/zinc/27/36/06/935273606.db2.gz NLIQDDNQLROKQO-UHFFFAOYSA-N 0 1 359.407 3.504 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000507315400 945126885 /nfs/dbraw/zinc/12/68/85/945126885.db2.gz RJZDFHVSDPIVFF-UHFFFAOYSA-N 0 1 367.188 3.806 20 5 FHBDMN CCN(C)C(=O)CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000479601756 935867815 /nfs/dbraw/zinc/86/78/15/935867815.db2.gz FZXIPQWPAQNPLF-UHFFFAOYSA-N 0 1 373.478 3.622 20 5 FHBDMN O=C(N[C@H](c1ccccc1)C1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000519126597 945130637 /nfs/dbraw/zinc/13/06/37/945130637.db2.gz DWRPRVDULFJNAN-QGZVFWFLSA-N 0 1 350.378 3.742 20 5 FHBDMN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)Cc1ccsc1 ZINC000187781625 935966086 /nfs/dbraw/zinc/96/60/86/935966086.db2.gz XUHCITRESHNXMX-CQSZACIVSA-N 0 1 361.467 3.856 20 5 FHBDMN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)Cc1ccsc1 ZINC000187781603 935967774 /nfs/dbraw/zinc/96/77/74/935967774.db2.gz XUHCITRESHNXMX-AWEZNQCLSA-N 0 1 361.467 3.856 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000611555902 935989759 /nfs/dbraw/zinc/98/97/59/935989759.db2.gz GTBBQUAKMGNCFL-UHFFFAOYSA-N 0 1 362.332 3.598 20 5 FHBDMN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000505995633 945138602 /nfs/dbraw/zinc/13/86/02/945138602.db2.gz FACUBKQAIWHLOG-UHFFFAOYSA-N 0 1 353.378 3.637 20 5 FHBDMN C[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654815 936086972 /nfs/dbraw/zinc/08/69/72/936086972.db2.gz MPSVTKPARMDJNP-MLGOLLRUSA-N 0 1 359.813 3.704 20 5 FHBDMN Cc1cc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611928072 936092337 /nfs/dbraw/zinc/09/23/37/936092337.db2.gz HNEQBJIAJVCZBN-MEBBXXQBSA-N 0 1 355.316 3.607 20 5 FHBDMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682008 936173505 /nfs/dbraw/zinc/17/35/05/936173505.db2.gz RARKZFYTJPXAPB-IAGOWNOFSA-N 0 1 369.465 3.909 20 5 FHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000061234832 936229346 /nfs/dbraw/zinc/22/93/46/936229346.db2.gz TULIQPCGJXHMAM-KRWDZBQOSA-N 0 1 350.378 3.757 20 5 FHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)c2ncccc12 ZINC000052447939 938309971 /nfs/dbraw/zinc/30/99/71/938309971.db2.gz DHVHHEZXCGYQHO-UHFFFAOYSA-N 0 1 363.421 3.615 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000583829074 938434513 /nfs/dbraw/zinc/43/45/13/938434513.db2.gz JWKUJRPFLZJBND-HNNXBMFYSA-N 0 1 371.437 3.980 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000519202997 945212870 /nfs/dbraw/zinc/21/28/70/945212870.db2.gz WZIPSDKKRYRVIG-UHFFFAOYSA-N 0 1 372.349 3.559 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472341979 939001194 /nfs/dbraw/zinc/00/11/94/939001194.db2.gz IBFIPHMORVLIFN-WMZOPIPTSA-N 0 1 367.449 3.795 20 5 FHBDMN COc1cc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)ccc1[N+](=O)[O-] ZINC000550286072 945220459 /nfs/dbraw/zinc/22/04/59/945220459.db2.gz CVPDYFFFLWKRQC-ZDUSSCGKSA-N 0 1 370.384 3.779 20 5 FHBDMN CCSc1ccc(Cl)cc1NC(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000188419360 939874057 /nfs/dbraw/zinc/87/40/57/939874057.db2.gz MPFANIYRTOCPJI-UHFFFAOYSA-N 0 1 354.819 3.898 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000188446482 939877634 /nfs/dbraw/zinc/87/76/34/939877634.db2.gz YBLYPACBRYPSKA-INIZCTEOSA-N 0 1 367.409 3.729 20 5 FHBDMN COc1cc(S(=O)(=O)Nc2cccc(C(C)(F)F)c2)ccc1[N+](=O)[O-] ZINC000188554688 940078274 /nfs/dbraw/zinc/07/82/74/940078274.db2.gz NJRMPHPMTNDTCG-UHFFFAOYSA-N 0 1 372.349 3.516 20 5 FHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1Oc2ccccc2[C@H]1C ZINC000612530859 940127066 /nfs/dbraw/zinc/12/70/66/940127066.db2.gz WSDWQROWVYLUPY-UFYHVXEKSA-N 0 1 353.378 3.779 20 5 FHBDMN CCOc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000124830687 945322855 /nfs/dbraw/zinc/32/28/55/945322855.db2.gz QBUNYBPFQXFLCE-ZDUSSCGKSA-N 0 1 358.394 3.711 20 5 FHBDMN Cn1nccc1C1=CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000580483425 940476520 /nfs/dbraw/zinc/47/65/20/940476520.db2.gz DJYSQKBKNUSDOI-UHFFFAOYSA-N 0 1 364.405 3.878 20 5 FHBDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000186293583 940975351 /nfs/dbraw/zinc/97/53/51/940975351.db2.gz WQCCAAVLWANSLQ-LLVKDONJSA-N 0 1 369.356 3.570 20 5 FHBDMN CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400528 940999564 /nfs/dbraw/zinc/99/95/64/940999564.db2.gz RCFBCNCZDAGHAT-CVEARBPZSA-N 0 1 355.438 3.683 20 5 FHBDMN C[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180437125 941014780 /nfs/dbraw/zinc/01/47/80/941014780.db2.gz VQOOGVIUVDOLPC-NSHDSACASA-N 0 1 367.327 3.903 20 5 FHBDMN C[C@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180442121 941014957 /nfs/dbraw/zinc/01/49/57/941014957.db2.gz JVABHUOSSPSJCX-GJZGRUSLSA-N 0 1 353.422 3.613 20 5 FHBDMN CC(C)[C@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000180444352 941017484 /nfs/dbraw/zinc/01/74/84/941017484.db2.gz ZBPOIUSEFHROEZ-XOBRGWDASA-N 0 1 373.428 3.898 20 5 FHBDMN COc1cc(C)c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000540998339 941085291 /nfs/dbraw/zinc/08/52/91/941085291.db2.gz RIRBTWMXJGAEKO-UHFFFAOYSA-N 0 1 371.437 3.659 20 5 FHBDMN Cc1cc(NC[C@@H](c2ccco2)N(C)C)c(Br)cc1[N+](=O)[O-] ZINC000302645190 941122408 /nfs/dbraw/zinc/12/24/08/941122408.db2.gz FMASVMRBCWDGLW-AWEZNQCLSA-N 0 1 368.231 3.974 20 5 FHBDMN COc1cc(Br)ccc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000189184818 941150974 /nfs/dbraw/zinc/15/09/74/941150974.db2.gz INSCUEQERJNISJ-UHFFFAOYSA-N 0 1 365.227 3.964 20 5 FHBDMN CCN(Cc1c[nH]c2ccccc12)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000189558744 941161264 /nfs/dbraw/zinc/16/12/64/941161264.db2.gz LYKICQQWXRKEFS-UHFFFAOYSA-N 0 1 363.377 3.615 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189912473 941299368 /nfs/dbraw/zinc/29/93/68/941299368.db2.gz SUIWSZQKICJBRF-AWEZNQCLSA-N 0 1 352.394 3.640 20 5 FHBDMN CCC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181524012 941425326 /nfs/dbraw/zinc/42/53/26/941425326.db2.gz VDTNVFOIFMKMNX-HUUCEWRRSA-N 0 1 373.375 3.579 20 5 FHBDMN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)c1ccccc1 ZINC000181537702 941538275 /nfs/dbraw/zinc/53/82/75/941538275.db2.gz CSTUKUGQXNWXJQ-UONOGXRCSA-N 0 1 352.394 3.927 20 5 FHBDMN Cc1cc(N2CC[C@H](N3CCCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000473525796 941765214 /nfs/dbraw/zinc/76/52/14/941765214.db2.gz ZYAXCYHZGUPWAL-ZDUSSCGKSA-N 0 1 368.275 3.730 20 5 FHBDMN Cc1ccc(-c2noc([C@H](C)NCCc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000513205700 941781071 /nfs/dbraw/zinc/78/10/71/941781071.db2.gz POYFIAKCTKQNHG-ZDUSSCGKSA-N 0 1 370.384 3.986 20 5 FHBDMN CC(=O)c1ccc(Sc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000042678071 941821053 /nfs/dbraw/zinc/82/10/53/941821053.db2.gz XHQFCHHFDHRONF-UHFFFAOYSA-N 0 1 358.354 3.873 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513275778 941826100 /nfs/dbraw/zinc/82/61/00/941826100.db2.gz KCCOKIHWRSJJKU-AUUYWEPGSA-N 0 1 353.422 3.925 20 5 FHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000136812279 941875350 /nfs/dbraw/zinc/87/53/50/941875350.db2.gz SQIWBSINYUBDFB-SFHVURJKSA-N 0 1 367.405 3.649 20 5 FHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ncccc32)ccc1Cl ZINC000119541033 941886340 /nfs/dbraw/zinc/88/63/40/941886340.db2.gz KIOLTYUBVQXZOV-UHFFFAOYSA-N 0 1 363.782 3.597 20 5 FHBDMN CC(C)[C@H](C)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000433782232 941888821 /nfs/dbraw/zinc/88/88/21/941888821.db2.gz HRLRDQGVJRBHEU-LBPRGKRZSA-N 0 1 362.455 3.633 20 5 FHBDMN COc1cc(CN2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000513472451 941951744 /nfs/dbraw/zinc/95/17/44/941951744.db2.gz FMSBPYDSPWHRTK-CQSZACIVSA-N 0 1 360.385 3.741 20 5 FHBDMN Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCC2)o1 ZINC000101735421 942012484 /nfs/dbraw/zinc/01/24/84/942012484.db2.gz PKRDYHCDWPXZPL-KRWDZBQOSA-N 0 1 372.425 3.763 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000434033773 942048244 /nfs/dbraw/zinc/04/82/44/942048244.db2.gz YDMPVDGFKIELSM-HIFRSBDPSA-N 0 1 356.426 3.535 20 5 FHBDMN COCCC1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000513671588 942066554 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ZINC000435126973 943181569 /nfs/dbraw/zinc/18/15/69/943181569.db2.gz SURCVFBEOSWNCH-UHFFFAOYSA-N 0 1 368.393 3.621 20 5 FHBDMN CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000467208880 943478808 /nfs/dbraw/zinc/47/88/08/943478808.db2.gz VGAUTCRMPMPBDD-OCCSQVGLSA-N 0 1 374.466 3.777 20 5 FHBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000515100276 943506200 /nfs/dbraw/zinc/50/62/00/943506200.db2.gz XWUHYVTVSCAQMT-UHFFFAOYSA-N 0 1 372.768 3.700 20 5 FHBDMN C[C@@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC000690822924 943514351 /nfs/dbraw/zinc/51/43/51/943514351.db2.gz JMZGVDPVJIILCC-DGCLKSJQSA-N 0 1 355.460 3.534 20 5 FHBDMN NC1(c2noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424338885 943870984 /nfs/dbraw/zinc/87/09/84/943870984.db2.gz BIUCGIRVSDTPKM-UHFFFAOYSA-N 0 1 356.304 3.782 20 5 FHBDMN C[C@H](N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1(C)CC1 ZINC000437524210 943903685 /nfs/dbraw/zinc/90/36/85/943903685.db2.gz 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371.437 3.713 20 5 FHBDMN CCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001168073167 946710951 /nfs/dbraw/zinc/71/09/51/946710951.db2.gz IDMUPZAKZSLBSU-INIZCTEOSA-N 0 1 371.437 3.713 20 5 FHBDMN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000475315904 946878689 /nfs/dbraw/zinc/87/86/89/946878689.db2.gz YJOOJAJKYQHXFC-HNNXBMFYSA-N 0 1 373.840 3.595 20 5 FHBDMN CCCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000112532141 946908860 /nfs/dbraw/zinc/90/88/60/946908860.db2.gz NYVGBELPOFULNR-XJKSGUPXSA-N 0 1 360.414 3.739 20 5 FHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000843771474 946927638 /nfs/dbraw/zinc/92/76/38/946927638.db2.gz KZPFXRDAQZCJBB-GOEBONIOSA-N 0 1 371.412 3.608 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](Cc4ccccc4)C3)nc2c1 ZINC000444602550 947029659 /nfs/dbraw/zinc/02/96/59/947029659.db2.gz KJASWTOZKNASNC-INIZCTEOSA-N 0 1 350.422 3.926 20 5 FHBDMN 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CC[C@H](C)NC(=O)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180251615 940876200 /nfs/dbraw/zinc/87/62/00/940876200.db2.gz ZBTRWSLCEILTBM-MGPUTAFESA-N 0 1 355.438 3.579 20 5 FHBDMN CC[C@@H](C)NC(=O)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180251564 940876425 /nfs/dbraw/zinc/87/64/25/940876425.db2.gz ZBTRWSLCEILTBM-QRWLVFNGSA-N 0 1 355.438 3.579 20 5 FHBDMN CCc1ccc([C@H](N[C@@H]2CCC[C@@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414347646 941021510 /nfs/dbraw/zinc/02/15/10/941021510.db2.gz WBAOBVGXZXYESB-AKCHCHLHSA-N 0 1 358.438 3.980 20 5 FHBDMN CCCOc1ccc(CNCc2cc(OC)c(O)cc2[N+](=O)[O-])c(C)c1 ZINC000188795574 941089468 /nfs/dbraw/zinc/08/94/68/941089468.db2.gz WPWADFACLURTOT-UHFFFAOYSA-N 0 1 360.410 3.696 20 5 FHBDMN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCN(c3ccccn3)C2)c2ccccc2)c1 ZINC000181012379 941102772 /nfs/dbraw/zinc/10/27/72/941102772.db2.gz CPMOOALNSODZQJ-DENIHFKCSA-N 0 1 374.444 3.948 20 5 FHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCCC[C@@H]2C1 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C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678022 942069933 /nfs/dbraw/zinc/06/99/33/942069933.db2.gz GXBOVHFKGBZIAB-KUHUBIRLSA-N 0 1 368.412 3.950 20 5 FHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000728726018 942092837 /nfs/dbraw/zinc/09/28/37/942092837.db2.gz RGIQMVPMGNUVGH-UHFFFAOYSA-N 0 1 351.362 3.693 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000502428173 942441624 /nfs/dbraw/zinc/44/16/24/942441624.db2.gz CNQXKGBZZQBJBI-INIZCTEOSA-N 0 1 356.426 3.644 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000434246433 942546290 /nfs/dbraw/zinc/54/62/90/942546290.db2.gz SQMPHSIZWZZWFT-SMDDNHRTSA-N 0 1 360.389 3.804 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](CCO)CC3)cs2)c1 ZINC000421398213 942549480 /nfs/dbraw/zinc/54/94/80/942549480.db2.gz NTSBPJCADJDPMV-AWEZNQCLSA-N 0 1 361.467 3.703 20 5 FHBDMN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434251053 942549997 /nfs/dbraw/zinc/54/99/97/942549997.db2.gz UHLHHKDXXQOKAC-OAHLLOKOSA-N 0 1 358.442 3.843 20 5 FHBDMN CCN(CCNc1ccc([N+](=O)[O-])c2ncccc12)CCC(F)(F)F ZINC000413256038 942568693 /nfs/dbraw/zinc/56/86/93/942568693.db2.gz BSWPLMDNCSQGHS-UHFFFAOYSA-N 0 1 356.348 3.829 20 5 FHBDMN Cc1cccc([C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000541391234 942670704 /nfs/dbraw/zinc/67/07/04/942670704.db2.gz XGNMQQAWONUPRN-KRWDZBQOSA-N 0 1 364.405 3.943 20 5 FHBDMN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081509 942733528 /nfs/dbraw/zinc/73/35/28/942733528.db2.gz CCXVPQFSYSITSA-BEFAXECRSA-N 0 1 350.422 3.811 20 5 FHBDMN Cc1c(NC(=O)CCN[C@H](C)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000181587062 942775722 /nfs/dbraw/zinc/77/57/22/942775722.db2.gz CYCAUBRLPUWWSH-GFCCVEGCSA-N 0 1 363.364 3.861 20 5 FHBDMN Cc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000514185782 942794319 /nfs/dbraw/zinc/79/43/19/942794319.db2.gz KWMGAWIKSHGTSD-SFHVURJKSA-N 0 1 367.449 3.857 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CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000444295648 946180547 /nfs/dbraw/zinc/18/05/47/946180547.db2.gz FBVKRRXZUTXSOG-GOEBONIOSA-N 0 1 356.426 3.597 20 5 FHBDMN COc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000052926181 946258013 /nfs/dbraw/zinc/25/80/13/946258013.db2.gz GEPCBZFUYZXZPC-UHFFFAOYSA-N 0 1 351.200 3.656 20 5 FHBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000475219891 946742649 /nfs/dbraw/zinc/74/26/49/946742649.db2.gz OGXWCGRVIMSJMG-NSHDSACASA-N 0 1 369.303 3.536 20 5 FHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1[N+](=O)[O-] ZINC000523242038 947017339 /nfs/dbraw/zinc/01/73/39/947017339.db2.gz ZOAHTAYMPMLWPS-UHFFFAOYSA-N 0 1 356.426 3.809 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000074808352 947021822 /nfs/dbraw/zinc/02/18/22/947021822.db2.gz WLCKZBSDDJILPN-SFHVURJKSA-N 0 1 367.449 3.640 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000444659446 947077601 /nfs/dbraw/zinc/07/76/01/947077601.db2.gz PPQUQCIPBZVIFD-AWEZNQCLSA-N 0 1 362.817 3.901 20 5 FHBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)cc1 ZINC000444686937 947088537 /nfs/dbraw/zinc/08/85/37/947088537.db2.gz UKXJSQNYSPIDLK-CYBMUJFWSA-N 0 1 362.393 3.508 20 5 FHBDMN Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cc([O-])ccc4[N+](=O)[O-])C3)nc2c1 ZINC000429693104 947215008 /nfs/dbraw/zinc/21/50/08/947215008.db2.gz YFLLLZJEDHPEDH-AWEZNQCLSA-N 0 1 366.421 3.865 20 5 FHBDMN Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cc([O-])ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000429693104 947215017 /nfs/dbraw/zinc/21/50/17/947215017.db2.gz YFLLLZJEDHPEDH-AWEZNQCLSA-N 0 1 366.421 3.865 20 5 FHBDMN Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cc([O-])ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000429693104 947215026 /nfs/dbraw/zinc/21/50/26/947215026.db2.gz YFLLLZJEDHPEDH-AWEZNQCLSA-N 0 1 366.421 3.865 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000367718470 947399851 /nfs/dbraw/zinc/39/98/51/947399851.db2.gz HEBXEBODZBJCRG-FQEVSTJZSA-N 0 1 356.422 3.861 20 5 FHBDMN CCN1CCC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015164201 947794134 /nfs/dbraw/zinc/79/41/34/947794134.db2.gz AQRVMMRBEBMYSX-KRWDZBQOSA-N 0 1 353.422 3.722 20 5 FHBDMN CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000311896322 948015299 /nfs/dbraw/zinc/01/52/99/948015299.db2.gz BMVCHQKPCSVJIL-HNNXBMFYSA-N 0 1 373.840 3.595 20 5 FHBDMN CN(C)Cc1ccc(CNc2ccnc3c2cccc3[N+](=O)[O-])cc1F ZINC000432325787 948062149 /nfs/dbraw/zinc/06/21/49/948062149.db2.gz MLAOFZNUOCGLLU-UHFFFAOYSA-N 0 1 354.385 3.956 20 5 FHBDMN CN1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000585717147 948231883 /nfs/dbraw/zinc/23/18/83/948231883.db2.gz VSUBQHGCADMYKY-AEFFLSMTSA-N 0 1 365.355 3.547 20 5 FHBDMN COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613938247 948250424 /nfs/dbraw/zinc/25/04/24/948250424.db2.gz UHEREHBLTNNBSQ-KRWDZBQOSA-N 0 1 356.378 3.676 20 5 FHBDMN CC(C)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000327715788 948393375 /nfs/dbraw/zinc/39/33/75/948393375.db2.gz RSUCFGDSRMOFDL-OAHLLOKOSA-N 0 1 366.414 3.800 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@](CO)(C(C)C)C1 ZINC000550433722 948644295 /nfs/dbraw/zinc/64/42/95/948644295.db2.gz SHVIINPURVACGM-IBGZPJMESA-N 0 1 350.459 3.613 20 5 FHBDMN CCSCC[C@@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072901609 568056927 /nfs/dbraw/zinc/05/69/27/568056927.db2.gz OAMGYWZMMPZEII-GFCCVEGCSA-N 0 1 350.444 3.608 20 5 FHBDMN COc1cc(CN2CCC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000481698413 568092450 /nfs/dbraw/zinc/09/24/50/568092450.db2.gz YASCKWFPYAUOQS-HXUWFJFHSA-N 0 1 354.406 3.625 20 5 FHBDMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)C1 ZINC000436629921 568096263 /nfs/dbraw/zinc/09/62/63/568096263.db2.gz YBFXCBWAXGGZIF-AWEZNQCLSA-N 0 1 369.421 3.785 20 5 FHBDMN CC(C)c1ccc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000481741900 568099586 /nfs/dbraw/zinc/09/95/86/568099586.db2.gz MUPXEZLQUAMEFF-UHFFFAOYSA-N 0 1 352.394 3.867 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c2ncccc12 ZINC000481862004 568162975 /nfs/dbraw/zinc/16/29/75/568162975.db2.gz UJVZUIIPJOHRBJ-UHFFFAOYSA-N 0 1 357.391 3.561 20 5 FHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453031504 568263077 /nfs/dbraw/zinc/26/30/77/568263077.db2.gz YWAUTTYYEWLCQW-FXAWDEMLSA-N 0 1 368.433 3.562 20 5 FHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453031504 568263078 /nfs/dbraw/zinc/26/30/78/568263078.db2.gz YWAUTTYYEWLCQW-FXAWDEMLSA-N 0 1 368.433 3.562 20 5 FHBDMN O=C([O-])c1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000617338520 598194129 /nfs/dbraw/zinc/19/41/29/598194129.db2.gz JVRIXLJUIHZUKQ-UHFFFAOYSA-N 0 1 369.402 3.706 20 5 FHBDMN C[C@H](Oc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)C(=O)[O-] ZINC000833539454 604534791 /nfs/dbraw/zinc/53/47/91/604534791.db2.gz ZAUBRLNROYSNSN-AWEZNQCLSA-N 0 1 370.405 3.611 20 5 FHBDMN C[C@H](Oc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)C(=O)[O-] ZINC000833539454 604534797 /nfs/dbraw/zinc/53/47/97/604534797.db2.gz ZAUBRLNROYSNSN-AWEZNQCLSA-N 0 1 370.405 3.611 20 5 FHBDMN C[C@H](Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537007 604535025 /nfs/dbraw/zinc/53/50/25/604535025.db2.gz FWQQDHXDWTWYBC-AWEZNQCLSA-N 0 1 370.405 3.611 20 5 FHBDMN C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833526990 605863499 /nfs/dbraw/zinc/86/34/99/605863499.db2.gz XJVJCTCVPRVGQX-SLLMGYAOSA-N 0 1 373.453 3.758 20 5 FHBDMN c1ccc(CCN2CCN(c3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001165053239 722010533 /nfs/dbraw/zinc/01/05/33/722010533.db2.gz CKDBTJADCQRAGK-UHFFFAOYSA-N 0 1 369.472 3.543 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000178728471 936326509 /nfs/dbraw/zinc/32/65/09/936326509.db2.gz YCFLUCAMQBYGFK-CYBMUJFWSA-N 0 1 360.410 3.780 20 5 FHBDMN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120274315 927958803 /nfs/dbraw/zinc/95/88/03/927958803.db2.gz WQHBIMLAHAUUFM-UHFFFAOYSA-N 0 1 366.342 3.784 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000430202820 927986034 /nfs/dbraw/zinc/98/60/34/927986034.db2.gz NIRYCUGJZCVNCK-CQSZACIVSA-N 0 1 352.394 3.640 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000430232316 928350293 /nfs/dbraw/zinc/35/02/93/928350293.db2.gz MBCKHMSVGQEDIY-AEFFLSMTSA-N 0 1 362.813 3.877 20 5 FHBDMN CCOc1cc(CN2CCCc3cc(OC)ccc3C2)ccc1[N+](=O)[O-] ZINC001167326556 929855855 /nfs/dbraw/zinc/85/58/55/929855855.db2.gz MTMYGZHHLOFSEB-UHFFFAOYSA-N 0 1 356.422 3.951 20 5 FHBDMN C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420529 930494910 /nfs/dbraw/zinc/49/49/10/930494910.db2.gz KMPZCVOTJKVTAK-NUTKFTJISA-N 0 1 368.355 3.780 20 5 FHBDMN CC1CCN(c2ccc(-c3nc(C4(N)CCCC4)no3)cc2[N+](=O)[O-])CC1 ZINC000261766862 930767497 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3.554 20 5 FHBDMN O=[N+]([O-])c1ccn(CCN[C@@H](c2c(Cl)cccc2Cl)C2CC2)n1 ZINC000581695718 932513443 /nfs/dbraw/zinc/51/34/43/932513443.db2.gz YVVRVPOZFRSGFR-OAHLLOKOSA-N 0 1 355.225 3.839 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001125535151 932686710 /nfs/dbraw/zinc/68/67/10/932686710.db2.gz QTEFPXVESAQGLR-UHFFFAOYSA-N 0 1 373.497 3.858 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000178173864 932755936 /nfs/dbraw/zinc/75/59/36/932755936.db2.gz VOYIPHFMQVKEDU-HOTGVXAUSA-N 0 1 370.453 3.520 20 5 FHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000588444766 933103243 /nfs/dbraw/zinc/10/32/43/933103243.db2.gz UTBGAZCPUKKBCG-LUQQZNFBSA-N 0 1 371.412 3.556 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CN(CCc3ccccc3)[C@@H]3CCOC3)nc2c1 ZINC000610619444 933548011 /nfs/dbraw/zinc/54/80/11/933548011.db2.gz QILOKRRVYFAVFE-QGZVFWFLSA-N 0 1 367.405 3.570 20 5 FHBDMN CCOc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276972918 934177584 /nfs/dbraw/zinc/17/75/84/934177584.db2.gz XHUHXUDPQISSBW-ZJWNCGCPSA-N 0 1 362.451 3.582 20 5 FHBDMN Cc1noc(C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277108364 934492860 /nfs/dbraw/zinc/49/28/60/934492860.db2.gz MHXOBKNTOYXPQS-ACJLOTCBSA-N 0 1 352.394 3.921 20 5 FHBDMN CCc1ccc(C(=O)NC[C@H](c2ccco2)N(CC)CC)cc1[N+](=O)[O-] ZINC000472007719 934820045 /nfs/dbraw/zinc/82/00/45/934820045.db2.gz FRRLNGMMLJQIDH-QGZVFWFLSA-N 0 1 359.426 3.563 20 5 FHBDMN COC(=O)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611255398 934833488 /nfs/dbraw/zinc/83/34/88/934833488.db2.gz VRMWYGQQWNLLAL-XFFZJAGNSA-N 0 1 354.406 3.673 20 5 FHBDMN COc1cc(CN2CCC[C@H]2CSC)c([N+](=O)[O-])cc1OC(F)F ZINC000135466402 934878764 /nfs/dbraw/zinc/87/87/64/934878764.db2.gz HYQNFPHCGZTAKX-NSHDSACASA-N 0 1 362.398 3.532 20 5 FHBDMN Cc1noc(C[C@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277288429 934886494 /nfs/dbraw/zinc/88/64/94/934886494.db2.gz SUGAOGJRIYPKJU-KRWDZBQOSA-N 0 1 352.394 3.668 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000536459115 935055131 /nfs/dbraw/zinc/05/51/31/935055131.db2.gz LGCYCVMVBFKGQZ-UHFFFAOYSA-N 0 1 357.391 3.506 20 5 FHBDMN C[C@H](C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)[O-] ZINC000263455820 935218507 /nfs/dbraw/zinc/21/85/07/935218507.db2.gz ASXIIFVETZUXAZ-SNVBAGLBSA-N 0 1 352.774 3.661 20 5 FHBDMN CC(C)CN1Cc2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2C1 ZINC000158361005 935754787 /nfs/dbraw/zinc/75/47/87/935754787.db2.gz LYVGUEMZNRXXNC-UHFFFAOYSA-N 0 1 369.421 3.584 20 5 FHBDMN Cc1cc(N2CCN(c3cccs3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302065966 935758988 /nfs/dbraw/zinc/75/89/88/935758988.db2.gz FBGMETJZDYUCPH-UHFFFAOYSA-N 0 1 354.435 3.840 20 5 FHBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000479357840 935830630 /nfs/dbraw/zinc/83/06/30/935830630.db2.gz ZHIDOYBALBDYMS-CQSZACIVSA-N 0 1 371.441 3.766 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000127895762 935837194 /nfs/dbraw/zinc/83/71/94/935837194.db2.gz BDNIYKIFLKUDCB-UHFFFAOYSA-N 0 1 374.416 3.604 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000178681703 936173477 /nfs/dbraw/zinc/17/34/77/936173477.db2.gz POAWLTMAKRLTRA-IXDOHACOSA-N 0 1 369.465 3.862 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000178686933 936204061 /nfs/dbraw/zinc/20/40/61/936204061.db2.gz KEWGUOGNBVXSOS-RYUDHWBXSA-N 0 1 363.364 3.859 20 5 FHBDMN CC(C)C1CCC(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000439986850 945155478 /nfs/dbraw/zinc/15/54/78/945155478.db2.gz JDUWCUNUFNVZFR-UHFFFAOYSA-N 0 1 365.499 3.629 20 5 FHBDMN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543853328 938386209 /nfs/dbraw/zinc/38/62/09/938386209.db2.gz NIMMXZSJMJTOJO-ZFWWWQNUSA-N 0 1 367.877 3.765 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000093929058 938932136 /nfs/dbraw/zinc/93/21/36/938932136.db2.gz NTQQTFQWTSHVIA-UHFFFAOYSA-N 0 1 362.407 3.543 20 5 FHBDMN Cc1ccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000518258587 945261899 /nfs/dbraw/zinc/26/18/99/945261899.db2.gz OAXKQEJFSKKGEA-DLBZAZTESA-N 0 1 358.463 3.904 20 5 FHBDMN CCc1[nH]nc(C(=O)N(Cc2cccc(Cl)c2)C(C)C)c1[N+](=O)[O-] ZINC000188483847 939905635 /nfs/dbraw/zinc/90/56/35/939905635.db2.gz VSQKXSFWHVTXMO-UHFFFAOYSA-N 0 1 350.806 3.585 20 5 FHBDMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000179666532 939912661 /nfs/dbraw/zinc/91/26/61/939912661.db2.gz MKDZQWAXPNOBNK-AWEZNQCLSA-N 0 1 357.410 3.671 20 5 FHBDMN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179764972 939932944 /nfs/dbraw/zinc/93/29/44/939932944.db2.gz YTFUXKHNCGLOIM-GFCCVEGCSA-N 0 1 357.385 3.933 20 5 FHBDMN CC(C)c1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000364680397 939981959 /nfs/dbraw/zinc/98/19/59/939981959.db2.gz XTNICYPISUXIAE-SFHVURJKSA-N 0 1 351.410 3.716 20 5 FHBDMN Cc1c(NC(=O)[C@H](C)N2CCSC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000411873249 940145557 /nfs/dbraw/zinc/14/55/57/940145557.db2.gz XRXSRIVOEUDMNG-AWEZNQCLSA-N 0 1 363.483 3.592 20 5 FHBDMN Cn1cc(CN2CCC(C(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179962623 940169862 /nfs/dbraw/zinc/16/98/62/940169862.db2.gz QSSHEVTXAXQBIW-UHFFFAOYSA-N 0 1 368.359 3.770 20 5 FHBDMN C[C@H](c1ccccc1)[C@H](CO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389248 940656975 /nfs/dbraw/zinc/65/69/75/940656975.db2.gz FYKBXYIGNBBUBE-KUHUBIRLSA-N 0 1 367.405 3.504 20 5 FHBDMN CC[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414164678 940698667 /nfs/dbraw/zinc/69/86/67/940698667.db2.gz BCHITBUCVYFCJC-UKPHBRMFSA-N 0 1 362.451 3.970 20 5 FHBDMN CC[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257060 940845187 /nfs/dbraw/zinc/84/51/87/940845187.db2.gz LLQRASMGDWJDAY-DOMZBBRYSA-N 0 1 370.375 3.986 20 5 FHBDMN Cc1cccc2nc(CCC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000175670619 940907094 /nfs/dbraw/zinc/90/70/94/940907094.db2.gz ASEZDUKTLWFZOL-ZDUSSCGKSA-N 0 1 352.394 3.590 20 5 FHBDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180431733 941013320 /nfs/dbraw/zinc/01/33/20/941013320.db2.gz LYYSRBZIYVFPNT-JTQLQIEISA-N 0 1 351.765 3.677 20 5 FHBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000180696092 941064761 /nfs/dbraw/zinc/06/47/61/941064761.db2.gz JYLZTSOPZNACQW-CQSZACIVSA-N 0 1 357.410 3.591 20 5 FHBDMN O=[N+]([O-])c1c(NC2CCN(Cc3cccnc3)CC2)ccc2ncccc21 ZINC000278805262 941069579 /nfs/dbraw/zinc/06/95/79/941069579.db2.gz YSUXYAHXSCPLGV-UHFFFAOYSA-N 0 1 363.421 3.615 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000433774001 941891836 /nfs/dbraw/zinc/89/18/36/941891836.db2.gz JQATXORCOVHWCU-BLLLJJGKSA-N 0 1 374.466 3.760 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000433850958 941948767 /nfs/dbraw/zinc/94/87/67/941948767.db2.gz FSMOZFOJDZSPIK-UHFFFAOYSA-N 0 1 370.331 3.732 20 5 FHBDMN C[C@H]1C[C@@H](c2cccs2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000377805579 942003575 /nfs/dbraw/zinc/00/35/75/942003575.db2.gz VTTRKDSVSZGUHK-WDEREUQCSA-N 0 1 356.407 3.551 20 5 FHBDMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)ccc12 ZINC000183013538 942064207 /nfs/dbraw/zinc/06/42/07/942064207.db2.gz IQJLDEJLUKBJBL-UHFFFAOYSA-N 0 1 362.292 3.633 20 5 FHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000481062884 942303327 /nfs/dbraw/zinc/30/33/27/942303327.db2.gz TXGPYOZEQHTVAP-UHFFFAOYSA-N 0 1 357.391 3.561 20 5 FHBDMN Cc1nc2cc(NCc3ccc(C)c([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000419761508 942373149 /nfs/dbraw/zinc/37/31/49/942373149.db2.gz KGEPHCJMHLPRDL-CYBMUJFWSA-N 0 1 354.410 3.727 20 5 FHBDMN CC(C)CCOc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000518844512 942477283 /nfs/dbraw/zinc/47/72/83/942477283.db2.gz RKPGNBKGBLZOGI-UHFFFAOYSA-N 0 1 364.423 3.821 20 5 FHBDMN CC[C@H]1C[C@@]1(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502525164 942498702 /nfs/dbraw/zinc/49/87/02/942498702.db2.gz UUYFJDUNFLDRQS-YWZLYKJASA-N 0 1 353.422 3.757 20 5 FHBDMN CSc1ccccc1[C@@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000501558519 942548073 /nfs/dbraw/zinc/54/80/73/942548073.db2.gz BYHQKQLWIFXBAZ-CYBMUJFWSA-N 0 1 359.451 3.914 20 5 FHBDMN CCOc1ccc(NC(=O)CNC2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000104664994 942566640 /nfs/dbraw/zinc/56/66/40/942566640.db2.gz MEJSMAXMWHAZJH-UHFFFAOYSA-N 0 1 369.421 3.601 20 5 FHBDMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000513955006 942633569 /nfs/dbraw/zinc/63/35/69/942633569.db2.gz RTRKVGYYDGYRPJ-QGZVFWFLSA-N 0 1 372.425 3.763 20 5 FHBDMN COCCN(Cc1ccc(F)cc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549425356 942676519 /nfs/dbraw/zinc/67/65/19/942676519.db2.gz JCEVPDBJBJSDCG-UHFFFAOYSA-N 0 1 368.792 3.742 20 5 FHBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)o1 ZINC000434437316 942678451 /nfs/dbraw/zinc/67/84/51/942678451.db2.gz CRRKOLYVMYFIBR-UHFFFAOYSA-N 0 1 366.333 3.615 20 5 FHBDMN O=[N+]([O-])c1ccn(C2CCN(CCc3cccc(Cl)c3Cl)CC2)n1 ZINC000434501163 942726803 /nfs/dbraw/zinc/72/68/03/942726803.db2.gz GBRQZMCAACHTKA-UHFFFAOYSA-N 0 1 369.252 3.978 20 5 FHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053183746 942743661 /nfs/dbraw/zinc/74/36/61/942743661.db2.gz BRQJFVMGNVIFAN-LJQANCHMSA-N 0 1 353.422 3.925 20 5 FHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2c1CN(C1CC1)C2 ZINC000378528095 942863300 /nfs/dbraw/zinc/86/33/00/942863300.db2.gz HHRQUXNLGPVQJX-UHFFFAOYSA-N 0 1 371.824 3.907 20 5 FHBDMN Cn1ccnc1[C@H](NCC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503054012 942952091 /nfs/dbraw/zinc/95/20/91/942952091.db2.gz WQBZTGOZVYGSKR-MRXNPFEDSA-N 0 1 364.396 3.833 20 5 FHBDMN Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000027603266 942979112 /nfs/dbraw/zinc/97/91/12/942979112.db2.gz GGUMYGOEYTWHBX-INIZCTEOSA-N 0 1 359.451 3.532 20 5 FHBDMN CC(C)[C@H]1CCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434831957 942990479 /nfs/dbraw/zinc/99/04/79/942990479.db2.gz PTHBFYCTMQFBBH-MRXNPFEDSA-N 0 1 374.466 3.777 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000434891420 943022162 /nfs/dbraw/zinc/02/21/62/943022162.db2.gz HRZYOCSGFYNSJP-QAPCUYQASA-N 0 1 353.422 3.720 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434906335 943042943 /nfs/dbraw/zinc/04/29/43/943042943.db2.gz UABCDNBGRRDXQY-MAUKXSAKSA-N 0 1 353.422 3.720 20 5 FHBDMN CCC(CC)c1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000514600388 943139242 /nfs/dbraw/zinc/13/92/42/943139242.db2.gz WCXFWFRXZXETOF-UHFFFAOYSA-N 0 1 360.414 3.605 20 5 FHBDMN C[C@@H]1C[C@@]1(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503368737 943143766 /nfs/dbraw/zinc/14/37/66/943143766.db2.gz NVMHDBRYOQQMED-YJYMSZOUSA-N 0 1 373.840 3.736 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000434194929 943170396 /nfs/dbraw/zinc/17/03/96/943170396.db2.gz UCNXGXMVYUNWQP-HNNXBMFYSA-N 0 1 354.410 3.733 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccccc3F)C2)c2c(c1)COCO2 ZINC000503656154 943313597 /nfs/dbraw/zinc/31/35/97/943313597.db2.gz ZALBTOPFYPIEQP-ZDUSSCGKSA-N 0 1 358.369 3.590 20 5 FHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000514910371 943381510 /nfs/dbraw/zinc/38/15/10/943381510.db2.gz SHMSUYZMGSEKLC-IIUKIDADSA-N 0 1 358.360 3.633 20 5 FHBDMN CC(C)(C)c1nc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000505741526 943924640 /nfs/dbraw/zinc/92/46/40/943924640.db2.gz GMCKBTFLUVPAQQ-UHFFFAOYSA-N 0 1 354.366 3.727 20 5 FHBDMN COc1ccc(OC)c([C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000515539976 943973978 /nfs/dbraw/zinc/97/39/78/943973978.db2.gz IGVLXZYMJAKZTH-KRWDZBQOSA-N 0 1 372.421 3.828 20 5 FHBDMN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505751862 943999239 /nfs/dbraw/zinc/99/92/39/943999239.db2.gz AFIZXWCZERLRSD-IBGZPJMESA-N 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O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@H]1c1ccncc1 ZINC000130456378 209371065 /nfs/dbraw/zinc/37/10/65/209371065.db2.gz MESISXMYXDZDRG-KRWDZBQOSA-N 0 1 365.393 3.624 20 5 FHBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1csc([N+](=O)[O-])c1 ZINC000115848011 209344104 /nfs/dbraw/zinc/34/41/04/209344104.db2.gz ZCUGMJYDTGQUPP-ZDUSSCGKSA-N 0 1 358.379 3.636 20 5 FHBDMN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000568071985 567835561 /nfs/dbraw/zinc/83/55/61/567835561.db2.gz HCTNOKFXYWJMEN-INIZCTEOSA-N 0 1 368.393 3.703 20 5 FHBDMN CC(C)Oc1cccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000481388530 567881634 /nfs/dbraw/zinc/88/16/34/567881634.db2.gz YDBKFFYHMDCKPP-GFCCVEGCSA-N 0 1 368.393 3.749 20 5 FHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000568532986 568047829 /nfs/dbraw/zinc/04/78/29/568047829.db2.gz MJUVOMLWLLMYJZ-CYBMUJFWSA-N 0 1 374.268 3.593 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 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BRHWMRNKYDCJMA-AWEZNQCLSA-N 0 1 357.410 3.534 20 5 FHBDMN C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833629292 604668914 /nfs/dbraw/zinc/66/89/14/604668914.db2.gz HEIJXEDDJZKFBE-BLLLJJGKSA-N 0 1 374.368 3.679 20 5 FHBDMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)C1 ZINC000506709268 945064884 /nfs/dbraw/zinc/06/48/84/945064884.db2.gz XNNHYEGSFDPOAU-AWEZNQCLSA-N 0 1 369.421 3.785 20 5 FHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000475838197 927382394 /nfs/dbraw/zinc/38/23/94/927382394.db2.gz XJAQJVHLAKRBLS-UHFFFAOYSA-N 0 1 364.276 3.554 20 5 FHBDMN O=C(CN1CCC2(CCCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000608833242 927798549 /nfs/dbraw/zinc/79/85/49/927798549.db2.gz FDQLFKOZVJZZHJ-UHFFFAOYSA-N 0 1 357.454 3.530 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000430203951 927998932 /nfs/dbraw/zinc/99/89/32/927998932.db2.gz PXZOFUKHPXGDIQ-HNAYVOBHSA-N 0 1 356.422 3.861 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(COc2ccccc2)CC1 ZINC000430211893 928165680 /nfs/dbraw/zinc/16/56/80/928165680.db2.gz KAKUMAVBLDKQRB-UHFFFAOYSA-N 0 1 356.422 3.894 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](COCc2ccccc2)C1 ZINC000430217780 928258398 /nfs/dbraw/zinc/25/83/98/928258398.db2.gz IJQUYZBAGDUBIC-QGZVFWFLSA-N 0 1 356.422 3.642 20 5 FHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246892051 928334938 /nfs/dbraw/zinc/33/49/38/928334938.db2.gz BOQWALBPCAAMPH-GOEBONIOSA-N 0 1 351.410 3.578 20 5 FHBDMN Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583207845 937237637 /nfs/dbraw/zinc/23/76/37/937237637.db2.gz VOZKPPAWKCQDJT-KDOFPFPSSA-N 0 1 369.421 3.534 20 5 FHBDMN Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583207847 937237843 /nfs/dbraw/zinc/23/78/43/937237843.db2.gz VOZKPPAWKCQDJT-KSSFIOAISA-N 0 1 369.421 3.534 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000430235168 928376547 /nfs/dbraw/zinc/37/65/47/928376547.db2.gz XUZSLEPXGVCRRQ-WMZOPIPTSA-N 0 1 364.348 3.501 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169450 928445694 /nfs/dbraw/zinc/44/56/94/928445694.db2.gz OFWFZDIOLFBZCY-IBGZPJMESA-N 0 1 355.438 3.704 20 5 FHBDMN Cn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2cccnc2)n1 ZINC000154282511 928683858 /nfs/dbraw/zinc/68/38/58/928683858.db2.gz KLLKNPZUKUPDEJ-UHFFFAOYSA-N 0 1 363.421 3.555 20 5 FHBDMN Cn1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2cccnc2)n1 ZINC000154282511 928683867 /nfs/dbraw/zinc/68/38/67/928683867.db2.gz KLLKNPZUKUPDEJ-UHFFFAOYSA-N 0 1 363.421 3.555 20 5 FHBDMN Cc1cccc(NC2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000154575649 928994530 /nfs/dbraw/zinc/99/45/30/928994530.db2.gz DXFJHJKDMXOXME-HXUWFJFHSA-N 0 1 355.438 3.513 20 5 FHBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000187186188 929389333 /nfs/dbraw/zinc/38/93/33/929389333.db2.gz YEULHBRJLGXUGP-UHFFFAOYSA-N 0 1 374.777 3.505 20 5 FHBDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000572845318 929788902 /nfs/dbraw/zinc/78/89/02/929788902.db2.gz NAXVIOVERNATAF-BBRMVZONSA-N 0 1 355.394 3.540 20 5 FHBDMN O=C(NCCN1CCCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275669166 929810304 /nfs/dbraw/zinc/81/03/04/929810304.db2.gz PQDYBEYBSDUHAI-UHFFFAOYSA-N 0 1 363.461 3.699 20 5 FHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175845966 929953615 /nfs/dbraw/zinc/95/36/15/929953615.db2.gz ZFCUFSLJBLSGQG-ZBFHGGJFSA-N 0 1 350.415 3.884 20 5 FHBDMN Cc1cccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000610121871 930720751 /nfs/dbraw/zinc/72/07/51/930720751.db2.gz HQWWNSCPRDDHRR-QGZVFWFLSA-N 0 1 367.449 3.640 20 5 FHBDMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167434212 931139879 /nfs/dbraw/zinc/13/98/79/931139879.db2.gz SQXMKFXKBGSAOM-JMSVASOKSA-N 0 1 351.834 3.840 20 5 FHBDMN Cc1ccc([C@H](C)NCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000177982573 931862918 /nfs/dbraw/zinc/86/29/18/931862918.db2.gz QEXYFEPFAWQNSJ-HNNXBMFYSA-N 0 1 353.422 3.533 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000610505442 932012546 /nfs/dbraw/zinc/01/25/46/932012546.db2.gz LPOYFHYXXNZMHJ-KRWDZBQOSA-N 0 1 373.384 3.518 20 5 FHBDMN CC[C@H](c1ccccc1)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000581440328 932076006 /nfs/dbraw/zinc/07/60/06/932076006.db2.gz DEOHMFBSHPTRJN-GOSISDBHSA-N 0 1 358.394 3.512 20 5 FHBDMN CCN1C[C@@H](CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000610556989 932969388 /nfs/dbraw/zinc/96/93/88/932969388.db2.gz HXTQDEFXIJGSLB-CRAIPNDOSA-N 0 1 355.438 3.875 20 5 FHBDMN CCOC(=O)C1CCC(N(CC)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510633078 933332057 /nfs/dbraw/zinc/33/20/57/933332057.db2.gz JBDQHOSMFQFINR-UHFFFAOYSA-N 0 1 370.396 3.817 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCC3(CO)CCCCC3)cs2)c1 ZINC000610583457 933345425 /nfs/dbraw/zinc/34/54/25/933345425.db2.gz NEVSGZHYPGWNMR-UHFFFAOYSA-N 0 1 361.467 3.751 20 5 FHBDMN COC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610787894 934193250 /nfs/dbraw/zinc/19/32/50/934193250.db2.gz GVKJKIYUSFKQGE-HNNXBMFYSA-N 0 1 370.327 3.797 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000458097237 934295300 /nfs/dbraw/zinc/29/53/00/934295300.db2.gz SQPNTFXGVKLBRO-HUUCEWRRSA-N 0 1 356.426 3.850 20 5 FHBDMN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000277032527 934461125 /nfs/dbraw/zinc/46/11/25/934461125.db2.gz FKPYZBPNXLKNGH-LLVKDONJSA-N 0 1 368.842 3.503 20 5 FHBDMN Cc1ccc(CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)C)s1 ZINC000065161943 934509356 /nfs/dbraw/zinc/50/93/56/934509356.db2.gz QVFFHRCATAGVCB-UHFFFAOYSA-N 0 1 373.478 3.764 20 5 FHBDMN Cc1noc(C[C@@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277288439 934886598 /nfs/dbraw/zinc/88/65/98/934886598.db2.gz SUGAOGJRIYPKJU-QGZVFWFLSA-N 0 1 352.394 3.668 20 5 FHBDMN Cc1nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2s1 ZINC000427115465 945100792 /nfs/dbraw/zinc/10/07/92/945100792.db2.gz BKDOWBTYNUMLMQ-UHFFFAOYSA-N 0 1 363.420 3.622 20 5 FHBDMN C[C@]1(CCc2ccccc2)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000507276156 945101390 /nfs/dbraw/zinc/10/13/90/945101390.db2.gz COABLBVSWXDWMV-FQEVSTJZSA-N 0 1 354.406 3.785 20 5 FHBDMN CC(C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000582307634 935508123 /nfs/dbraw/zinc/50/81/23/935508123.db2.gz UMQLHFWCHAYKRZ-UHFFFAOYSA-N 0 1 372.805 3.601 20 5 FHBDMN O=[N+]([O-])c1ccn(CCN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000478440303 935626384 /nfs/dbraw/zinc/62/63/84/935626384.db2.gz XEIYZWXHPNJIPJ-UHFFFAOYSA-N 0 1 355.225 3.763 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000478792708 935722918 /nfs/dbraw/zinc/72/29/18/935722918.db2.gz DIXKEHJGKSTJTN-WMLDXEAASA-N 0 1 371.412 3.889 20 5 FHBDMN CCC(=O)c1ccc(NC[C@H](c2cccc(OC)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000479852679 935905064 /nfs/dbraw/zinc/90/50/64/935905064.db2.gz NMMYOCBYHHCVNJ-LJQANCHMSA-N 0 1 371.437 3.911 20 5 FHBDMN C[C@@H](Cc1cccs1)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001167610066 936071056 /nfs/dbraw/zinc/07/10/56/936071056.db2.gz ZFMDASXBHMGEQB-LBPRGKRZSA-N 0 1 358.423 3.769 20 5 FHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178682392 936174080 /nfs/dbraw/zinc/17/40/80/936174080.db2.gz ZDJOOJUYTXTUPG-KBPBESRZSA-N 0 1 357.410 3.590 20 5 FHBDMN CC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684840 936200893 /nfs/dbraw/zinc/20/08/93/936200893.db2.gz WKQANJOXXCHFPD-KBPBESRZSA-N 0 1 369.421 3.784 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000178685059 936217917 /nfs/dbraw/zinc/21/79/17/936217917.db2.gz YFXDKOVVWRDROG-GJZGRUSLSA-N 0 1 370.453 3.647 20 5 FHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000278408798 938395125 /nfs/dbraw/zinc/39/51/25/938395125.db2.gz YJPCCWPQNCFQQN-PSASIEDQSA-N 0 1 365.821 3.679 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3ncc(C(F)(F)F)s3)c2c1 ZINC000584195066 938636065 /nfs/dbraw/zinc/63/60/65/938636065.db2.gz LTTVJKTWHYTSHA-UHFFFAOYSA-N 0 1 370.356 3.884 20 5 FHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCC(c2nc[nH]n2)CC1 ZINC000082978808 938807589 /nfs/dbraw/zinc/80/75/89/938807589.db2.gz LPDGQYLMPUYZGK-UHFFFAOYSA-N 0 1 357.417 3.526 20 5 FHBDMN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2cccnc2c1C ZINC000437301419 945219505 /nfs/dbraw/zinc/21/95/05/945219505.db2.gz CFWPEKDQBVAOJP-UHFFFAOYSA-N 0 1 371.418 3.869 20 5 FHBDMN CCCCOc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000511281458 938983294 /nfs/dbraw/zinc/98/32/94/938983294.db2.gz UARVCWFPITUDLZ-UHFFFAOYSA-N 0 1 350.396 3.575 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)c1[N+](=O)[O-] ZINC000611988604 939015266 /nfs/dbraw/zinc/01/52/66/939015266.db2.gz UXGCWJVVMZMLBI-LJTDUEICSA-N 0 1 360.439 3.786 20 5 FHBDMN CCc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000188195393 939037706 /nfs/dbraw/zinc/03/77/06/939037706.db2.gz OYDFHKSRQGZCQG-UHFFFAOYSA-N 0 1 357.391 3.506 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179527269 939881992 /nfs/dbraw/zinc/88/19/92/939881992.db2.gz SHBSFTGUKMBONU-HNNXBMFYSA-N 0 1 371.437 3.980 20 5 FHBDMN Cc1ccc2nc(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000179690668 939919246 /nfs/dbraw/zinc/91/92/46/939919246.db2.gz YUEJUQRYXJHCPS-UHFFFAOYSA-N 0 1 352.394 3.635 20 5 FHBDMN O=C(Nc1cccc(Cl)c1O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000179719449 939926558 /nfs/dbraw/zinc/92/65/58/939926558.db2.gz OXRGBTXGYOLOKJ-UHFFFAOYSA-N 0 1 361.785 3.806 20 5 FHBDMN O=[N+]([O-])c1cnn(CCN(Cc2ccc(F)cc2F)C2CCCC2)c1 ZINC000472433330 940092554 /nfs/dbraw/zinc/09/25/54/940092554.db2.gz RVFVOVZGXBPVSF-UHFFFAOYSA-N 0 1 350.369 3.514 20 5 FHBDMN CO[C@H]1c2ccccc2C[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000411890093 940154872 /nfs/dbraw/zinc/15/48/72/940154872.db2.gz DTOZZOUNPGXZLL-MOPGFXCFSA-N 0 1 365.389 3.652 20 5 FHBDMN CC(C)c1ccc(CNCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000236715670 940169872 /nfs/dbraw/zinc/16/98/72/940169872.db2.gz ULGPVKLHUZCEPO-UHFFFAOYSA-N 0 1 367.449 3.787 20 5 FHBDMN CC(C)(c1nc(-c2ccc3[nH]cnc3c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000581692066 940589125 /nfs/dbraw/zinc/58/91/25/940589125.db2.gz DYKBTYABDYQPHE-UHFFFAOYSA-N 0 1 367.340 3.986 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c2ncccc12 ZINC000613324461 940597460 /nfs/dbraw/zinc/59/74/60/940597460.db2.gz GYIHYXKNAKIZLV-UHFFFAOYSA-N 0 1 369.402 3.821 20 5 FHBDMN CCN(CC)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102577 945340262 /nfs/dbraw/zinc/34/02/62/945340262.db2.gz GVCDMMUYYPISCY-DNVCBOLYSA-N 0 1 355.438 3.855 20 5 FHBDMN COc1cc(CN(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180260638 940891309 /nfs/dbraw/zinc/89/13/09/940891309.db2.gz OFAXHZWFXFYIIX-NSHDSACASA-N 0 1 358.385 3.868 20 5 FHBDMN CCC[C@@H](NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444207 941017498 /nfs/dbraw/zinc/01/74/98/941017498.db2.gz SMLVWNPSSCMJFJ-DNVCBOLYSA-N 0 1 355.438 3.903 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(CCOCC4)C3)s2)cc1 ZINC000180525802 941037259 /nfs/dbraw/zinc/03/72/59/941037259.db2.gz GHDPHTKSLDHHEF-UHFFFAOYSA-N 0 1 374.462 3.705 20 5 FHBDMN Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096448 941145362 /nfs/dbraw/zinc/14/53/62/941145362.db2.gz VUYCADGAXOBFBQ-QFBILLFUSA-N 0 1 367.449 3.663 20 5 FHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cccn3Cc3cccs3)CC2)n1 ZINC000376650182 941371999 /nfs/dbraw/zinc/37/19/99/941371999.db2.gz DBFPDJMTFXZGPE-UHFFFAOYSA-N 0 1 371.466 3.540 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549132003 941496442 /nfs/dbraw/zinc/49/64/42/941496442.db2.gz OXINHNSNDITTGC-QGZVFWFLSA-N 0 1 364.760 3.665 20 5 FHBDMN O=C(Nc1cccc2c1CN(C1CC1)C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000377191020 941545474 /nfs/dbraw/zinc/54/54/74/941545474.db2.gz ZYZYJDDRHKWZDP-UHFFFAOYSA-N 0 1 357.797 3.979 20 5 FHBDMN Cc1ccc(C(=O)NC2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000051098226 941704843 /nfs/dbraw/zinc/70/48/43/941704843.db2.gz JGAUTZYZSRLKKP-UHFFFAOYSA-N 0 1 373.478 3.668 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122410878 941724615 /nfs/dbraw/zinc/72/46/15/941724615.db2.gz SOGVJNKFCBULEQ-GFCCVEGCSA-N 0 1 369.421 3.684 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000433675250 941829475 /nfs/dbraw/zinc/82/94/75/941829475.db2.gz PERRUXOHZWJLAW-VIFPVBQESA-N 0 1 352.341 3.553 20 5 FHBDMN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433745580 941862403 /nfs/dbraw/zinc/86/24/03/941862403.db2.gz SCXTXKGCNKWVJE-HNNXBMFYSA-N 0 1 356.426 3.597 20 5 FHBDMN CCOc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433840141 941937171 /nfs/dbraw/zinc/93/71/71/941937171.db2.gz CGYJFUBYCPWCDD-HNNXBMFYSA-N 0 1 372.425 3.817 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000433847847 941947368 /nfs/dbraw/zinc/94/73/68/941947368.db2.gz TYUOUNXHXWKSPU-UHFFFAOYSA-N 0 1 372.400 3.900 20 5 FHBDMN COc1ccccc1-n1nccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000430019631 941988845 /nfs/dbraw/zinc/98/88/45/941988845.db2.gz HUFPBOJVIIWPIA-OAHLLOKOSA-N 0 1 366.421 3.948 20 5 FHBDMN O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101917130 942019982 /nfs/dbraw/zinc/01/99/82/942019982.db2.gz CMZQZPUQXXBERW-UHFFFAOYSA-N 0 1 357.385 3.585 20 5 FHBDMN Cc1ccc2c(c1)CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C(C)(C)C2 ZINC000513674928 942068609 /nfs/dbraw/zinc/06/86/09/942068609.db2.gz MGNHVTRPYNHBAE-UHFFFAOYSA-N 0 1 356.426 3.727 20 5 FHBDMN Cc1nc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ncc1[N+](=O)[O-] ZINC000413370363 942109342 /nfs/dbraw/zinc/10/93/42/942109342.db2.gz CLWDZZKLXYRMDD-AWEZNQCLSA-N 0 1 372.816 3.955 20 5 FHBDMN CCOc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000063311615 942126053 /nfs/dbraw/zinc/12/60/53/942126053.db2.gz ORYXUQRILHCCEU-HUUCEWRRSA-N 0 1 371.437 3.980 20 5 FHBDMN Cc1cc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413458452 942215136 /nfs/dbraw/zinc/21/51/36/942215136.db2.gz WMBRTKYRYVKBNH-FXAWDEMLSA-N 0 1 355.438 3.829 20 5 FHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(C(F)(F)F)c1 ZINC000378248609 942455154 /nfs/dbraw/zinc/45/51/54/942455154.db2.gz NNYLFOURLXIGMY-GFCCVEGCSA-N 0 1 354.332 3.716 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCCC[C@H]3OC(F)F)co2)cc1 ZINC000502510630 942488560 /nfs/dbraw/zinc/48/85/60/942488560.db2.gz NEQVHEHENORHMD-HUUCEWRRSA-N 0 1 367.352 3.890 20 5 FHBDMN Cn1ccnc1[C@@H](NC[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421392028 942543652 /nfs/dbraw/zinc/54/36/52/942543652.db2.gz WYTMWADEZJZQMD-WBVHZDCISA-N 0 1 372.494 3.541 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434244329 942543974 /nfs/dbraw/zinc/54/39/74/942543974.db2.gz HBISBIDVSHQNDV-CYBMUJFWSA-N 0 1 374.466 3.696 20 5 FHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000378408785 942726357 /nfs/dbraw/zinc/72/63/57/942726357.db2.gz AMCJTJXUDHCMIM-QFBILLFUSA-N 0 1 371.481 3.770 20 5 FHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434572189 942765294 /nfs/dbraw/zinc/76/52/94/942765294.db2.gz YXAJJKXMFQZOMU-HXUWFJFHSA-N 0 1 370.453 3.755 20 5 FHBDMN COc1cc(CN2CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505437453 942774367 /nfs/dbraw/zinc/77/43/67/942774367.db2.gz BNZBHOZDDIHZQM-UHFFFAOYSA-N 0 1 362.348 3.921 20 5 FHBDMN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421720301 942776227 /nfs/dbraw/zinc/77/62/27/942776227.db2.gz BFYKVPBLJRWHFZ-MRXNPFEDSA-N 0 1 364.405 3.879 20 5 FHBDMN CCC[C@@H](C)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434639133 942831015 /nfs/dbraw/zinc/83/10/15/942831015.db2.gz UWALPEYVZQOFTB-GFCCVEGCSA-N 0 1 362.455 3.777 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000183875304 943056743 /nfs/dbraw/zinc/05/67/43/943056743.db2.gz YPOUJPRIHRDYMZ-UHFFFAOYSA-N 0 1 357.391 3.561 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000236847961 943123741 /nfs/dbraw/zinc/12/37/41/943123741.db2.gz QACKTULCPDNPOR-GOSISDBHSA-N 0 1 373.453 3.822 20 5 FHBDMN CC(C)CN(Cc1ccccc1F)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434193968 943160246 /nfs/dbraw/zinc/16/02/46/943160246.db2.gz OXIABABLCNDKCK-UHFFFAOYSA-N 0 1 362.405 3.879 20 5 FHBDMN Cc1nccn1-c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000126390848 943339620 /nfs/dbraw/zinc/33/96/20/943339620.db2.gz BYOSAHJTOSDCCI-CQSZACIVSA-N 0 1 351.410 3.643 20 5 FHBDMN C[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC000690822923 943514301 /nfs/dbraw/zinc/51/43/01/943514301.db2.gz JMZGVDPVJIILCC-AAEUAGOBSA-N 0 1 355.460 3.534 20 5 FHBDMN COc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(OC)n1 ZINC000417324328 943516217 /nfs/dbraw/zinc/51/62/17/943516217.db2.gz AEFCMWAMTFPVJO-KRWDZBQOSA-N 0 1 357.410 3.564 20 5 FHBDMN O=C([O-])[C@H](CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000584474893 943741548 /nfs/dbraw/zinc/74/15/48/943741548.db2.gz MAWPAWKNTSWWKU-LJQANCHMSA-N 0 1 354.406 3.818 20 5 FHBDMN C[N@@H+](CCC1CCOCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425411301 943827496 /nfs/dbraw/zinc/82/74/96/943827496.db2.gz AJCRFAUOJZKWHD-UHFFFAOYSA-N 0 1 357.248 3.606 20 5 FHBDMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000516939282 943846953 /nfs/dbraw/zinc/84/69/53/943846953.db2.gz STAXGYYZWGGLQP-NRUUGDAUSA-N 0 1 360.332 3.687 20 5 FHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424331265 943848095 /nfs/dbraw/zinc/84/80/95/943848095.db2.gz RXDXUDAVWNGGBL-OMWUSAIZSA-N 0 1 357.385 3.539 20 5 FHBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000425416280 943858129 /nfs/dbraw/zinc/85/81/29/943858129.db2.gz GBWAEGAYXHIQSH-GXTWGEPZSA-N 0 1 369.259 3.606 20 5 FHBDMN C[C@@H](c1nc(-c2cccs2)no1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000517042804 943944953 /nfs/dbraw/zinc/94/49/53/943944953.db2.gz BNQZTTAYYCPOMJ-LBPRGKRZSA-N 0 1 358.423 3.942 20 5 FHBDMN O=C(NCCc1cccc(Cl)c1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505784648 944164143 /nfs/dbraw/zinc/16/41/43/944164143.db2.gz YWIDSZPITLZJQA-UHFFFAOYSA-N 0 1 355.177 3.580 20 5 FHBDMN C[S@](=O)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287291 944165872 /nfs/dbraw/zinc/16/58/72/944165872.db2.gz UHGRXIAXBLRHKN-CJAUYULYSA-N 0 1 358.463 3.575 20 5 FHBDMN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505792475 944193685 /nfs/dbraw/zinc/19/36/85/944193685.db2.gz HMMRPAOIIHQIOI-UHFFFAOYSA-N 0 1 364.317 3.689 20 5 FHBDMN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505805208 944255923 /nfs/dbraw/zinc/25/59/23/944255923.db2.gz MQABKWPXXDPLSF-UHFFFAOYSA-N 0 1 354.284 3.591 20 5 FHBDMN COc1c(O)ccc(CNCc2ccc(C(C)(F)F)cc2)c1[N+](=O)[O-] ZINC000894608853 944304662 /nfs/dbraw/zinc/30/46/62/944304662.db2.gz AOVDAHHOANWPSI-UHFFFAOYSA-N 0 1 352.337 3.711 20 5 FHBDMN Cc1nc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)o1 ZINC000500242279 944318653 /nfs/dbraw/zinc/31/86/53/944318653.db2.gz OYFZVVNSIINDTC-UHFFFAOYSA-N 0 1 358.423 3.655 20 5 FHBDMN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506480500 944318763 /nfs/dbraw/zinc/31/87/63/944318763.db2.gz LVFLDZHKKSSQKG-LBPRGKRZSA-N 0 1 368.393 3.722 20 5 FHBDMN Cc1c([C@@H](C)NCc2cc3ccccc3n(C)c2=O)cccc1[N+](=O)[O-] ZINC000426287561 944370675 /nfs/dbraw/zinc/37/06/75/944370675.db2.gz AGDISJJGJNUZKO-CQSZACIVSA-N 0 1 351.406 3.606 20 5 FHBDMN O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518454905 944407847 /nfs/dbraw/zinc/40/78/47/944407847.db2.gz ARZBVSIKCASTOC-HOCLYGCPSA-N 0 1 350.378 3.537 20 5 FHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(Cl)cc1Cl ZINC000436549507 944409413 /nfs/dbraw/zinc/40/94/13/944409413.db2.gz FWTHQABAKXKSPY-UHFFFAOYSA-N 0 1 355.177 3.580 20 5 FHBDMN Cc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)N2CCCC2)o1 ZINC000473779950 944440275 /nfs/dbraw/zinc/44/02/75/944440275.db2.gz RZILTMLRDKKREQ-QGZVFWFLSA-N 0 1 372.425 3.763 20 5 FHBDMN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000438343323 944523799 /nfs/dbraw/zinc/52/37/99/944523799.db2.gz XCKBCWVIPDQUCK-UHFFFAOYSA-N 0 1 360.385 3.731 20 5 FHBDMN Cc1cc(N2CC[C@@]3(C2)c2ccccc2NC3=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000614524746 944555125 /nfs/dbraw/zinc/55/51/25/944555125.db2.gz RYFIEHHGSGWECM-OAQYLSRUSA-N 0 1 374.400 3.552 20 5 FHBDMN C[C@H](CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000066854545 944642258 /nfs/dbraw/zinc/64/22/58/944642258.db2.gz CPCGKSFNBDOMDN-CQSZACIVSA-N 0 1 352.394 3.880 20 5 FHBDMN C[C@H]1CN(C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000408101258 944708322 /nfs/dbraw/zinc/70/83/22/944708322.db2.gz JGPSDBLFEKMIKB-NSHDSACASA-N 0 1 374.268 3.591 20 5 FHBDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000506620297 944764379 /nfs/dbraw/zinc/76/43/79/944764379.db2.gz VMJRTOSZXYXNTA-INIZCTEOSA-N 0 1 358.394 3.655 20 5 FHBDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000506620297 944764387 /nfs/dbraw/zinc/76/43/87/944764387.db2.gz VMJRTOSZXYXNTA-INIZCTEOSA-N 0 1 358.394 3.655 20 5 FHBDMN CC(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000426750255 944771701 /nfs/dbraw/zinc/77/17/01/944771701.db2.gz MFOBEAAQFDPUED-KRWDZBQOSA-N 0 1 364.348 3.912 20 5 FHBDMN CC(C)c1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000506311681 944883630 /nfs/dbraw/zinc/88/36/30/944883630.db2.gz XSNMDOLUVSJDDQ-UHFFFAOYSA-N 0 1 355.438 3.596 20 5 FHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000506333273 944953270 /nfs/dbraw/zinc/95/32/70/944953270.db2.gz RHMNKMOBHUEKAU-LLVKDONJSA-N 0 1 369.402 3.915 20 5 FHBDMN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000511730096 944975929 /nfs/dbraw/zinc/97/59/29/944975929.db2.gz PDJQRIDTDMCFGX-GFCCVEGCSA-N 0 1 350.396 3.573 20 5 FHBDMN CC(C)N(Cc1cnn(CC(F)(F)F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000507151913 945000908 /nfs/dbraw/zinc/00/09/08/945000908.db2.gz MENRXIPQRVARHG-UHFFFAOYSA-N 0 1 356.348 3.764 20 5 FHBDMN Cc1ccccc1[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000507179749 945010536 /nfs/dbraw/zinc/01/05/36/945010536.db2.gz HTKCHEOATPUHGB-HZPDHXFCSA-N 0 1 353.422 3.720 20 5 FHBDMN O=[N+]([O-])c1cc(F)c(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(F)c1 ZINC000511754837 945024644 /nfs/dbraw/zinc/02/46/44/945024644.db2.gz JMEAFVSQKQVWJK-MDYRTPRTSA-N 0 1 374.387 3.878 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](c2ccccc2C)C1 ZINC000507201145 945026439 /nfs/dbraw/zinc/02/64/39/945026439.db2.gz DPXSYJRDNSIDPR-INIZCTEOSA-N 0 1 353.422 3.640 20 5 FHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)c1[N+](=O)[O-] ZINC000444038462 945743424 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20 5 FHBDMN C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372535 946445640 /nfs/dbraw/zinc/44/56/40/946445640.db2.gz FSMAKSBWASNJDO-BLLLJJGKSA-N 0 1 359.813 3.704 20 5 FHBDMN CCS[C@H]1CCCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112088292 946659709 /nfs/dbraw/zinc/65/97/09/946659709.db2.gz WFZARVFENAIKPC-HNNXBMFYSA-N 0 1 362.455 3.752 20 5 FHBDMN COc1ccc(CNCc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000048818970 946929295 /nfs/dbraw/zinc/92/92/95/946929295.db2.gz DNEZCVJHVDHIBJ-UHFFFAOYSA-N 0 1 351.200 3.656 20 5 FHBDMN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000475356198 946937057 /nfs/dbraw/zinc/93/70/57/946937057.db2.gz SEDSLKGWPGXTKI-DLBZAZTESA-N 0 1 364.490 3.668 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(CCc3ccc(F)cc3)C3CC3)nc2c1 ZINC000444653863 947072739 /nfs/dbraw/zinc/07/27/39/947072739.db2.gz NFZXRJVHONPPNL-UHFFFAOYSA-N 0 1 354.385 3.817 20 5 FHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(N2CCCC2)c1 ZINC000444688577 947113911 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Cc1c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000109021482 209295346 /nfs/dbraw/zinc/29/53/46/209295346.db2.gz MVMYKCXUEJGDSK-KRWDZBQOSA-N 0 1 366.377 3.883 20 5 FHBDMN Cc1cc(NCc2ccc([S@](C)=O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302090882 568036114 /nfs/dbraw/zinc/03/61/14/568036114.db2.gz PJWZBGIIBQWBTH-VWLOTQADSA-N 0 1 355.419 3.801 20 5 FHBDMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000007054270 568144673 /nfs/dbraw/zinc/14/46/73/568144673.db2.gz AAZWLAILQCNQKA-LLVKDONJSA-N 0 1 350.396 3.615 20 5 FHBDMN C[C@@H]1[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291770463 568304529 /nfs/dbraw/zinc/30/45/29/568304529.db2.gz MOYCIVSTPBPCLJ-CJNGLKHVSA-N 0 1 373.840 3.641 20 5 FHBDMN C[C@@H]1[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291770463 568304530 /nfs/dbraw/zinc/30/45/30/568304530.db2.gz MOYCIVSTPBPCLJ-CJNGLKHVSA-N 0 1 373.840 3.641 20 5 FHBDMN C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000736606911 600239707 /nfs/dbraw/zinc/23/97/07/600239707.db2.gz NDBDJUCVJZUXOF-SLZMIMFISA-N 0 1 369.421 3.625 20 5 FHBDMN C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000833629295 604669192 /nfs/dbraw/zinc/66/91/92/604669192.db2.gz HEIJXEDDJZKFBE-WBMJQRKESA-N 0 1 374.368 3.679 20 5 FHBDMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833249189 604789892 /nfs/dbraw/zinc/78/98/92/604789892.db2.gz JZAHGTYDWXBEFN-UHFFFAOYSA-N 0 1 370.739 3.613 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000178729543 936326832 /nfs/dbraw/zinc/32/68/32/936326832.db2.gz BHUOFDKBWHGZJY-CQSZACIVSA-N 0 1 366.421 3.948 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000430218090 928242850 /nfs/dbraw/zinc/24/28/50/928242850.db2.gz LAAONTWTFDNCCW-FQEVSTJZSA-N 0 1 370.405 3.616 20 5 FHBDMN Cc1ccccc1OCCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167083749 928755087 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O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507286818 945102382 /nfs/dbraw/zinc/10/23/82/945102382.db2.gz RCJQPANPDCYYPF-UHFFFAOYSA-N 0 1 357.385 3.585 20 5 FHBDMN CCOC(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000158094127 935557042 /nfs/dbraw/zinc/55/70/42/935557042.db2.gz IMCPRJLKNSVTOE-UHFFFAOYSA-N 0 1 358.394 3.630 20 5 FHBDMN CCCCN(C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000158158600 935596839 /nfs/dbraw/zinc/59/68/39/935596839.db2.gz NYKYDLUZDQBKSC-UHFFFAOYSA-N 0 1 350.337 3.776 20 5 FHBDMN CC(C)CN1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000158268012 935665670 /nfs/dbraw/zinc/66/56/70/935665670.db2.gz AGQCCGKBCMKICL-UHFFFAOYSA-N 0 1 369.421 3.584 20 5 FHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Oc2ccccc2)nn1 ZINC000511119541 935677609 /nfs/dbraw/zinc/67/76/09/935677609.db2.gz AFPKQDZXWATOBU-UHFFFAOYSA-N 0 1 364.405 3.852 20 5 FHBDMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000478712286 935682059 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20 5 FHBDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543853327 938399532 /nfs/dbraw/zinc/39/95/32/938399532.db2.gz NIMMXZSJMJTOJO-UKRRQHHQSA-N 0 1 367.877 3.765 20 5 FHBDMN CCOC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611792716 938454448 /nfs/dbraw/zinc/45/44/48/938454448.db2.gz NNTFHEQBGJNGAW-UHFFFAOYSA-N 0 1 354.834 3.804 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000136085706 938991331 /nfs/dbraw/zinc/99/13/31/938991331.db2.gz BMWYYCJBXWVZOF-YJBOKZPZSA-N 0 1 358.442 3.662 20 5 FHBDMN Cc1cc(C(=O)N=c2ccc3cc([N+](=O)[O-])ccc3[nH]2)c(C(F)(F)F)o1 ZINC000472344402 939003174 /nfs/dbraw/zinc/00/31/74/939003174.db2.gz VTLKOCNMZGXGKU-UHFFFAOYSA-N 0 1 365.267 3.737 20 5 FHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000611983710 939011804 /nfs/dbraw/zinc/01/18/04/939011804.db2.gz BGOIESNZFXNPPX-AWEZNQCLSA-N 0 1 363.364 3.656 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472357831 939064496 /nfs/dbraw/zinc/06/44/96/939064496.db2.gz DJNOIBZMZPGOKF-AEFFLSMTSA-N 0 1 367.449 3.795 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472357831 939064498 /nfs/dbraw/zinc/06/44/98/939064498.db2.gz DJNOIBZMZPGOKF-AEFFLSMTSA-N 0 1 367.449 3.795 20 5 FHBDMN CCOc1ccc([C@@H](C)NCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000179392264 939139888 /nfs/dbraw/zinc/13/98/88/939139888.db2.gz DZLIPQUDFODCJW-CYBMUJFWSA-N 0 1 358.394 3.616 20 5 FHBDMN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179449626 939164484 /nfs/dbraw/zinc/16/44/84/939164484.db2.gz WYGMFOVYSSDHFN-INIZCTEOSA-N 0 1 363.458 3.592 20 5 FHBDMN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506771866 945275228 /nfs/dbraw/zinc/27/52/28/945275228.db2.gz AHSHFKQAFLGVNI-QGZVFWFLSA-N 0 1 358.394 3.826 20 5 FHBDMN CCCN(C[C@H]1CCCCO1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411371162 940032884 /nfs/dbraw/zinc/03/28/84/940032884.db2.gz WUVHWDXLQGNFBQ-RHSMWYFYSA-N 0 1 374.441 3.987 20 5 FHBDMN Cc1c(CN2CCC(NC(=O)C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000065963074 940121776 /nfs/dbraw/zinc/12/17/76/940121776.db2.gz XXGWFZZOOFQLBX-UHFFFAOYSA-N 0 1 359.470 3.564 20 5 FHBDMN COc1c(O)ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000892508191 940209883 /nfs/dbraw/zinc/20/98/83/940209883.db2.gz NQRVKEFFFFFGTE-SNVBAGLBSA-N 0 1 368.336 3.761 20 5 FHBDMN CC[C@H]1Oc2cc([C@@H](C)NCc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180002240 940211241 /nfs/dbraw/zinc/21/12/41/940211241.db2.gz VIQJVBMSXKIIAF-SJKOYZFVSA-N 0 1 355.394 3.555 20 5 FHBDMN CSc1ccc(CN(C)C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180394221 941003798 /nfs/dbraw/zinc/00/37/98/941003798.db2.gz HLLCJKLXSVCQTO-CQSZACIVSA-N 0 1 373.478 3.626 20 5 FHBDMN CC(C)[C@@H](NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180435556 941014552 /nfs/dbraw/zinc/01/45/52/941014552.db2.gz LYAOFONAUSXDHH-FOIQADDNSA-N 0 1 355.438 3.759 20 5 FHBDMN CC(C)[C@@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000180444369 941017598 /nfs/dbraw/zinc/01/75/98/941017598.db2.gz ZBPOIUSEFHROEZ-VBKZILBWSA-N 0 1 373.428 3.898 20 5 FHBDMN C[C@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000180451096 941018369 /nfs/dbraw/zinc/01/83/69/941018369.db2.gz BMBXCWZACBOSDY-NSHDSACASA-N 0 1 367.858 3.619 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC000177087215 941099159 /nfs/dbraw/zinc/09/91/59/941099159.db2.gz HZQIXSNCGSXYTJ-AWEZNQCLSA-N 0 1 355.369 3.940 20 5 FHBDMN NC(=O)c1ccc(CN[C@H](CC2CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181359162 941132507 /nfs/dbraw/zinc/13/25/07/941132507.db2.gz YUODWNPGAIMWBI-GOSISDBHSA-N 0 1 353.422 3.715 20 5 FHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000311251120 941151529 /nfs/dbraw/zinc/15/15/29/941151529.db2.gz PDPQELFAEFPTIJ-HNNXBMFYSA-N 0 1 373.840 3.643 20 5 FHBDMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(c2ccccc2)CC1 ZINC000189316479 941156202 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3.578 20 5 FHBDMN Cc1ccc(C(=O)NC2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000051098650 941704739 /nfs/dbraw/zinc/70/47/39/941704739.db2.gz GMHGWUIHAHOTFA-CQSZACIVSA-N 0 1 373.478 3.920 20 5 FHBDMN Cc1[nH]nc(C(=O)Nc2cccc(Cl)c2SC(F)F)c1[N+](=O)[O-] ZINC000729359239 941732457 /nfs/dbraw/zinc/73/24/57/941732457.db2.gz RBUOOOQXKMYNCR-UHFFFAOYSA-N 0 1 362.745 3.847 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000433669812 941827444 /nfs/dbraw/zinc/82/74/44/941827444.db2.gz MSTCPYCUDGDJHV-SNVBAGLBSA-N 0 1 350.806 3.928 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000433675249 941829401 /nfs/dbraw/zinc/82/94/01/941829401.db2.gz PERRUXOHZWJLAW-SECBINFHSA-N 0 1 352.341 3.553 20 5 FHBDMN Cc1cc(C2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000278817862 941842704 /nfs/dbraw/zinc/84/27/04/941842704.db2.gz UHCQSTKNKUAQEW-UHFFFAOYSA-N 0 1 362.817 3.608 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000433707226 941851920 /nfs/dbraw/zinc/85/19/20/941851920.db2.gz BJZXJQMUGLOUMH-SNVBAGLBSA-N 0 1 350.806 3.928 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000433742353 941860967 /nfs/dbraw/zinc/86/09/67/941860967.db2.gz NEFHDYVEEOAUNZ-UHFFFAOYSA-N 0 1 374.416 3.675 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000433770108 941876183 /nfs/dbraw/zinc/87/61/83/941876183.db2.gz BIPTVEWLNBGSTE-LLVKDONJSA-N 0 1 364.833 3.798 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000433771412 941877878 /nfs/dbraw/zinc/87/78/78/941877878.db2.gz PSZMIGMBQFEBDP-CYBMUJFWSA-N 0 1 356.426 3.882 20 5 FHBDMN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182596619 941946408 /nfs/dbraw/zinc/94/64/08/941946408.db2.gz XMWBXEQJIHPEQS-QGZVFWFLSA-N 0 1 361.829 3.952 20 5 FHBDMN C[C@H]1C[C@H](c2cccs2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000377805578 942003806 /nfs/dbraw/zinc/00/38/06/942003806.db2.gz VTTRKDSVSZGUHK-QWRGUYRKSA-N 0 1 356.407 3.551 20 5 FHBDMN O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000101918522 942019750 /nfs/dbraw/zinc/01/97/50/942019750.db2.gz SMHSTJKPOCEUTC-UHFFFAOYSA-N 0 1 357.385 3.585 20 5 FHBDMN O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000413380775 942114731 /nfs/dbraw/zinc/11/47/31/942114731.db2.gz VHGRHSULMCWXHV-AWEZNQCLSA-N 0 1 358.789 3.646 20 5 FHBDMN CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000501986295 942154301 /nfs/dbraw/zinc/15/43/01/942154301.db2.gz HYIXNPOKWTXASP-QMMMGPOBSA-N 0 1 354.208 3.772 20 5 FHBDMN COc1cc(CN2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000280425238 942180802 /nfs/dbraw/zinc/18/08/02/942180802.db2.gz ZKFURCPEXBXQNO-KRWDZBQOSA-N 0 1 374.384 3.596 20 5 FHBDMN CCS[C@H]1CCCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000480920859 942199129 /nfs/dbraw/zinc/19/91/29/942199129.db2.gz KVTWDROLEFYULE-CJNGLKHVSA-N 0 1 351.472 3.529 20 5 FHBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000024492704 942246913 /nfs/dbraw/zinc/24/69/13/942246913.db2.gz SGMGOHGBGIOZOB-MZEUMTGBSA-N 0 1 369.421 3.544 20 5 FHBDMN O=[N+]([O-])c1cccc(F)c1CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502557789 942539797 /nfs/dbraw/zinc/53/97/97/942539797.db2.gz FKLLPQFUNGZRSY-SFHVURJKSA-N 0 1 364.804 3.879 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000421565167 942650369 /nfs/dbraw/zinc/65/03/69/942650369.db2.gz USXQVIKPDVBUOF-KRWDZBQOSA-N 0 1 369.421 3.849 20 5 FHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053183748 942728015 /nfs/dbraw/zinc/72/80/15/942728015.db2.gz BRQJFVMGNVIFAN-IBGZPJMESA-N 0 1 353.422 3.925 20 5 FHBDMN O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000378527547 942863922 /nfs/dbraw/zinc/86/39/22/942863922.db2.gz VMHBXTSHERBVJS-UHFFFAOYSA-N 0 1 357.797 3.979 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC([C@@H]4CCCOC4)CC3)co2)cc1 ZINC000378597076 942931952 /nfs/dbraw/zinc/93/19/52/942931952.db2.gz QEGWDGSQEWOHPD-QGZVFWFLSA-N 0 1 371.437 3.888 20 5 FHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](c2ccccc2)[C@H]1C ZINC000434895768 943033801 /nfs/dbraw/zinc/03/38/01/943033801.db2.gz NBGOYQORBFCDCA-INMHGKMJSA-N 0 1 353.422 3.800 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000434906336 943042776 /nfs/dbraw/zinc/04/27/76/943042776.db2.gz UABCDNBGRRDXQY-QAPCUYQASA-N 0 1 353.422 3.720 20 5 FHBDMN C[C@@H](C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000414652225 943103256 /nfs/dbraw/zinc/10/32/56/943103256.db2.gz GQPMFXYICHOTQT-LBPRGKRZSA-N 0 1 362.357 3.679 20 5 FHBDMN Cn1nc2c(c1CN[C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000417350361 943529031 /nfs/dbraw/zinc/52/90/31/943529031.db2.gz PORIWOYNSKPJGY-SFHVURJKSA-N 0 1 354.454 3.764 20 5 FHBDMN CSc1ccccc1[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000504332302 943597380 /nfs/dbraw/zinc/59/73/80/943597380.db2.gz QCPLTWXIQOVHGF-SNVBAGLBSA-N 0 1 356.407 3.684 20 5 FHBDMN CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCC(C(=O)[O-])CC1 ZINC000515356717 943822872 /nfs/dbraw/zinc/82/28/72/943822872.db2.gz FOMCJQWZBRZFHQ-UHFFFAOYSA-N 0 1 364.442 3.847 20 5 FHBDMN COC(=O)c1cnc([C@H](C)N[C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000424337201 943869084 /nfs/dbraw/zinc/86/90/84/943869084.db2.gz ZDNZPYWOJGIZRS-RYUDHWBXSA-N 0 1 363.439 3.510 20 5 FHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2(N)CCCCC2)no1 ZINC000424343083 943873417 /nfs/dbraw/zinc/87/34/17/943873417.db2.gz JFUCIEMBEDJHCT-SNVBAGLBSA-N 0 1 366.805 3.889 20 5 FHBDMN Cc1nc2c(n1Cc1ccc(Br)cc1[N+](=O)[O-])CCCC2 ZINC000162482171 943882603 /nfs/dbraw/zinc/88/26/03/943882603.db2.gz PUMNCRNMSIQWEN-UHFFFAOYSA-N 0 1 350.216 3.789 20 5 FHBDMN Cc1cnc(CCN(C)Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000425428031 943904085 /nfs/dbraw/zinc/90/40/85/943904085.db2.gz ZZVJHQRNVDGKBP-UHFFFAOYSA-N 0 1 370.272 3.797 20 5 FHBDMN COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000424414093 943911113 /nfs/dbraw/zinc/91/11/13/943911113.db2.gz GXPZNNWWPMFHHY-KPZWWZAWSA-N 0 1 374.393 3.549 20 5 FHBDMN C[C@H]1N(Cc2ccc(Br)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000425431162 943921589 /nfs/dbraw/zinc/92/15/89/943921589.db2.gz HKTCRPCNEOUJJA-GFCCVEGCSA-N 0 1 369.259 3.748 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000506118031 944069820 /nfs/dbraw/zinc/06/98/20/944069820.db2.gz KUDAUSNCNAHYCP-CQSZACIVSA-N 0 1 360.797 3.801 20 5 FHBDMN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000436180521 944091578 /nfs/dbraw/zinc/09/15/78/944091578.db2.gz PVXHUBBKJQIJMJ-UHFFFAOYSA-N 0 1 359.407 3.802 20 5 FHBDMN Cc1cc(S(=O)(=O)Nc2cccc(C(C)(F)F)c2)ccc1[N+](=O)[O-] ZINC000436194560 944105186 /nfs/dbraw/zinc/10/51/86/944105186.db2.gz DRXRBFWFUGCHKP-UHFFFAOYSA-N 0 1 356.350 3.816 20 5 FHBDMN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505793298 944200489 /nfs/dbraw/zinc/20/04/89/944200489.db2.gz SQRKTBSMAYOULC-CQSZACIVSA-N 0 1 354.284 3.724 20 5 FHBDMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505805496 944255245 /nfs/dbraw/zinc/25/52/45/944255245.db2.gz RRJVRCLEUIOISP-UHFFFAOYSA-N 0 1 355.177 3.879 20 5 FHBDMN COc1cc(CN2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184223983 944286447 /nfs/dbraw/zinc/28/64/47/944286447.db2.gz RCDDXJTXRRACLY-INIZCTEOSA-N 0 1 374.412 3.781 20 5 FHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C(C)(C)C)C1 ZINC000543248772 944295765 /nfs/dbraw/zinc/29/57/65/944295765.db2.gz JODTVTIVWSCOOH-NWDGAFQWSA-N 0 1 353.850 3.943 20 5 FHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(C)CC12CCCCC2 ZINC000439171691 944397106 /nfs/dbraw/zinc/39/71/06/944397106.db2.gz SMSBEMWSNGTTBD-UHFFFAOYSA-N 0 1 365.861 3.647 20 5 FHBDMN O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506186795 944404607 /nfs/dbraw/zinc/40/46/07/944404607.db2.gz GKUTWBVEONIXTN-UHFFFAOYSA-N 0 1 351.318 3.740 20 5 FHBDMN Cc1ccc([C@H](C)NCc2cc3ccccc3n(C)c2=O)cc1[N+](=O)[O-] ZINC000426305362 944420517 /nfs/dbraw/zinc/42/05/17/944420517.db2.gz CHHZCOGIGTWCGG-AWEZNQCLSA-N 0 1 351.406 3.606 20 5 FHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3OC3CCCC3)CC2)n1 ZINC000425962682 944428502 /nfs/dbraw/zinc/42/85/02/944428502.db2.gz ZBHGKAXBWLBTSU-UHFFFAOYSA-N 0 1 370.453 3.950 20 5 FHBDMN CCN(CCC(F)(F)F)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092737629 944439230 /nfs/dbraw/zinc/43/92/30/944439230.db2.gz BCWVEDDIGIGDJG-UHFFFAOYSA-N 0 1 356.348 3.770 20 5 FHBDMN COc1cc2c(c(CN(C)CCc3ccccc3[N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000516116899 944500364 /nfs/dbraw/zinc/50/03/64/944500364.db2.gz YYAIWWDVBMBFTC-AWEZNQCLSA-N 0 1 356.422 3.601 20 5 FHBDMN Cc1ccc(-c2ncc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)o1 ZINC000425985769 944517632 /nfs/dbraw/zinc/51/76/32/944517632.db2.gz SJKBUFGRNXKAPQ-UHFFFAOYSA-N 0 1 373.438 3.653 20 5 FHBDMN Cc1cccc2nc(CCC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)[nH]c21 ZINC000184293706 944529884 /nfs/dbraw/zinc/52/98/84/944529884.db2.gz CITHBWRWNHKHQK-UHFFFAOYSA-N 0 1 372.812 3.682 20 5 FHBDMN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)c(Cl)cc1Cl ZINC000181642319 944573791 /nfs/dbraw/zinc/57/37/91/944573791.db2.gz AENQKDASZKFHDS-SECBINFHSA-N 0 1 374.199 3.553 20 5 FHBDMN CCCSC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426817195 944838392 /nfs/dbraw/zinc/83/83/92/944838392.db2.gz NWFWJSXEMIIJKJ-HNNXBMFYSA-N 0 1 364.423 3.541 20 5 FHBDMN O=C(CN1CC[C@@H]2CCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426455516 944840047 /nfs/dbraw/zinc/84/00/47/944840047.db2.gz TWROVJBEYWOWGE-LRDDRELGSA-N 0 1 372.450 3.531 20 5 FHBDMN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437003931 944901871 /nfs/dbraw/zinc/90/18/71/944901871.db2.gz LARBTDZHHPKNBD-QGZVFWFLSA-N 0 1 370.384 3.607 20 5 FHBDMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])c2C1 ZINC000436999789 944917440 /nfs/dbraw/zinc/91/74/40/944917440.db2.gz LWJJXKOFZNZDQG-UHFFFAOYSA-N 0 1 355.394 3.524 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000438733512 944962816 /nfs/dbraw/zinc/96/28/16/944962816.db2.gz PKPAEGZMBVIXDC-HXUWFJFHSA-N 0 1 365.433 3.994 20 5 FHBDMN Cc1cccnc1[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000120878532 945436602 /nfs/dbraw/zinc/43/66/02/945436602.db2.gz YBDSVGPWAQRXCY-QAPCUYQASA-N 0 1 370.453 3.921 20 5 FHBDMN CCc1[nH]nc(C(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)c1[N+](=O)[O-] ZINC000444023090 945739363 /nfs/dbraw/zinc/73/93/63/945739363.db2.gz NBRBBMJGXVNBKH-JTQLQIEISA-N 0 1 362.817 3.900 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439678142 945799147 /nfs/dbraw/zinc/79/91/47/945799147.db2.gz BLYHYEYIOFELSW-MRXNPFEDSA-N 0 1 356.426 3.501 20 5 FHBDMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444223661 946090634 /nfs/dbraw/zinc/09/06/34/946090634.db2.gz JEEZRLSLBBLYIV-KRWDZBQOSA-N 0 1 355.438 3.795 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000444322841 946437556 /nfs/dbraw/zinc/43/75/56/946437556.db2.gz VUIJBPNCNDDTSF-MRXNPFEDSA-N 0 1 356.426 3.981 20 5 FHBDMN CCN1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000475194477 946677836 /nfs/dbraw/zinc/67/78/36/946677836.db2.gz QPACKDCEPGXPRS-GHMZBOCLSA-N 0 1 374.363 3.560 20 5 FHBDMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000475278422 946796969 /nfs/dbraw/zinc/79/69/69/946796969.db2.gz WARHBNODKHYXQT-IAQYHMDHSA-N 0 1 368.359 3.768 20 5 FHBDMN O=C(NC1CC1)[C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121471025 946967375 /nfs/dbraw/zinc/96/73/75/946967375.db2.gz VQPDDSJYUQUGAU-QGZVFWFLSA-N 0 1 371.462 3.566 20 5 FHBDMN O=C(NC1CC1)[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121471178 946967675 /nfs/dbraw/zinc/96/76/75/946967675.db2.gz VQPDDSJYUQUGAU-KRWDZBQOSA-N 0 1 371.462 3.566 20 5 FHBDMN COCCN(CCCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444595960 947020964 /nfs/dbraw/zinc/02/09/64/947020964.db2.gz KHAJMXDJICLSPA-UHFFFAOYSA-N 0 1 368.437 3.552 20 5 FHBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](COC)Cc1ccccc1 ZINC000444649658 947070060 /nfs/dbraw/zinc/07/00/60/947070060.db2.gz QUVODPJPCBPFDS-KRWDZBQOSA-N 0 1 368.437 3.551 20 5 FHBDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649439 947070472 /nfs/dbraw/zinc/07/04/72/947070472.db2.gz JLRMIIOHTFVTFX-ZBFHGGJFSA-N 0 1 350.422 3.924 20 5 FHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1(c2ccccc2)CC1 ZINC000444676492 947101376 /nfs/dbraw/zinc/10/13/76/947101376.db2.gz QOICJEOAQJIHBX-HNNXBMFYSA-N 0 1 353.422 3.585 20 5 FHBDMN CC(=O)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184527888 947298290 /nfs/dbraw/zinc/29/82/90/947298290.db2.gz BQBCCKHPRKHMTJ-XCLFUZPHSA-N 0 1 371.412 3.878 20 5 FHBDMN Cc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000141483542 948227303 /nfs/dbraw/zinc/22/73/03/948227303.db2.gz WEBAFPOSAILROL-INIZCTEOSA-N 0 1 366.377 3.883 20 5 FHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000093532443 948304083 /nfs/dbraw/zinc/30/40/83/948304083.db2.gz PATFESOEUSXIKJ-UHFFFAOYSA-N 0 1 358.238 3.617 20 5 FHBDMN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(OC)c1OC ZINC000164560738 948338923 /nfs/dbraw/zinc/33/89/23/948338923.db2.gz CIDJETBALMWYSK-CYBMUJFWSA-N 0 1 360.410 3.780 20 5 FHBDMN CC(C)C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000327715786 948390498 /nfs/dbraw/zinc/39/04/98/948390498.db2.gz RSUCFGDSRMOFDL-HNNXBMFYSA-N 0 1 366.414 3.800 20 5 FHBDMN C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000512165031 948602913 /nfs/dbraw/zinc/60/29/13/948602913.db2.gz KQDDACKIDOVSHM-KDOFPFPSSA-N 0 1 353.422 3.667 20 5 FHBDMN Cc1cc(N2CCC[C@H](OCC(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543959463 948625863 /nfs/dbraw/zinc/62/58/63/948625863.db2.gz CANJECCSWKBVCS-ZDUSSCGKSA-N 0 1 369.343 3.999 20 5 FHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)C1 ZINC000541891794 568076159 /nfs/dbraw/zinc/07/61/59/568076159.db2.gz VSKLPYHERGCJEH-CQSZACIVSA-N 0 1 369.421 3.785 20 5 FHBDMN CC(C)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000481654731 568082083 /nfs/dbraw/zinc/08/20/83/568082083.db2.gz HUWGYBNHVMCLMS-QGZVFWFLSA-N 0 1 352.394 3.988 20 5 FHBDMN CCCc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 ZINC000291292107 568096252 /nfs/dbraw/zinc/09/62/52/568096252.db2.gz ZWKQAPGIQWFLKN-UHFFFAOYSA-N 0 1 361.210 3.958 20 5 FHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(F)(F)[C@@H](CO)C2)s1 ZINC000291351740 568118499 /nfs/dbraw/zinc/11/84/99/568118499.db2.gz XGZRAYWNUCQVAM-GFCCVEGCSA-N 0 1 368.405 3.773 20 5 FHBDMN COCCOCc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291640127 568236529 /nfs/dbraw/zinc/23/65/29/568236529.db2.gz BMYOCDRDGZKTQC-UHFFFAOYSA-N 0 1 358.438 3.783 20 5 FHBDMN CNC(=O)C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065272 568253497 /nfs/dbraw/zinc/25/34/97/568253497.db2.gz CUTMRRGTZHPOKO-RTBURBONSA-N 0 1 367.449 3.784 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000412667114 568258076 /nfs/dbraw/zinc/25/80/76/568258076.db2.gz HGPKYPFETMWEBA-OAHLLOKOSA-N 0 1 368.437 3.851 20 5 FHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436676972 568284895 /nfs/dbraw/zinc/28/48/95/568284895.db2.gz VCFIKVZTKDHXFW-UHFFFAOYSA-N 0 1 369.204 3.922 20 5 FHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)co1 ZINC000032590572 568392671 /nfs/dbraw/zinc/39/26/71/568392671.db2.gz ZYLBEWUEDVUANM-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN O=[N+]([O-])c1cnn(CCN[C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000569394684 568400459 /nfs/dbraw/zinc/40/04/59/568400459.db2.gz JILJIMMSNRHJTM-OAHLLOKOSA-N 0 1 355.225 3.839 20 5 FHBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000833691864 604540650 /nfs/dbraw/zinc/54/06/50/604540650.db2.gz RWWBNGQQJNDCBU-UHFFFAOYSA-N 0 1 350.758 3.557 20 5 FHBDMN O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000834158055 605804772 /nfs/dbraw/zinc/80/47/72/605804772.db2.gz LNCJVRXNWUDXKL-CVEARBPZSA-N 0 1 361.785 3.792 20 5 FHBDMN CC[C@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000825143611 609339087 /nfs/dbraw/zinc/33/90/87/609339087.db2.gz WYHSJPTXGGZNAA-DIFFPNOSSA-N 0 1 370.388 3.716 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000430200151 927938949 /nfs/dbraw/zinc/93/89/49/927938949.db2.gz FYNICRDEXOWHNV-AWEZNQCLSA-N 0 1 366.421 3.948 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000430202098 927971555 /nfs/dbraw/zinc/97/15/55/927971555.db2.gz FDMZKDIVBSWYDE-CQSZACIVSA-N 0 1 352.394 3.640 20 5 FHBDMN O=[N+]([O-])c1cc(Nc2c(F)cccc2I)ccc1O ZINC001210397775 929748528 /nfs/dbraw/zinc/74/85/28/929748528.db2.gz HGICUZOYIFNPFD-UHFFFAOYSA-N 0 1 374.109 3.788 20 5 FHBDMN Cc1ccc(CN2CC[C@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000580023615 929907551 /nfs/dbraw/zinc/90/75/51/929907551.db2.gz ZMQUSZSDDJVPRU-UZLBHIALSA-N 0 1 367.449 3.663 20 5 FHBDMN CCN(CC)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccco1 ZINC000175877783 930147673 /nfs/dbraw/zinc/14/76/73/930147673.db2.gz KJGLCOYQNWUUIE-AWEZNQCLSA-N 0 1 365.817 3.654 20 5 FHBDMN COc1cc2c(cc1CN[C@H]1CCc3c1cccc3[N+](=O)[O-])O[C@@H](C)C2 ZINC000580094004 930239218 /nfs/dbraw/zinc/23/92/18/930239218.db2.gz LAQGNRWXWWECQR-SJCJKPOMSA-N 0 1 354.406 3.704 20 5 FHBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000610420423 930489965 /nfs/dbraw/zinc/48/99/65/930489965.db2.gz ZNMUEYACHMDNHQ-KDOFPFPSSA-N 0 1 371.437 3.522 20 5 FHBDMN C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420528 930494704 /nfs/dbraw/zinc/49/47/04/930494704.db2.gz KMPZCVOTJKVTAK-MJEQTWJJSA-N 0 1 368.355 3.780 20 5 FHBDMN CCc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000610436909 930580971 /nfs/dbraw/zinc/58/09/71/930580971.db2.gz YJVQHEHETKRAKN-UHFFFAOYSA-N 0 1 358.785 3.617 20 5 FHBDMN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046358279 930775449 /nfs/dbraw/zinc/77/54/49/930775449.db2.gz RCRYJHLRIMJDIA-SECBINFHSA-N 0 1 360.320 3.583 20 5 FHBDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000610445882 930792102 /nfs/dbraw/zinc/79/21/02/930792102.db2.gz JGGWJZQPQZWCAP-KRWDZBQOSA-N 0 1 367.449 3.640 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610445636 930809064 /nfs/dbraw/zinc/80/90/64/930809064.db2.gz ACNNFWDRIUABBI-QGZVFWFLSA-N 0 1 367.449 3.640 20 5 FHBDMN O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000119191290 930831374 /nfs/dbraw/zinc/83/13/74/930831374.db2.gz IHUNKPNGDCKZCD-ZDUSSCGKSA-N 0 1 362.798 3.552 20 5 FHBDMN COc1ccc(NC(=O)CCN2CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000610505260 932015566 /nfs/dbraw/zinc/01/55/66/932015566.db2.gz DPJTZCGYGZTYMQ-QGZVFWFLSA-N 0 1 373.384 3.518 20 5 FHBDMN CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610420400 932023206 /nfs/dbraw/zinc/02/32/06/932023206.db2.gz 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CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414381993 941075810 /nfs/dbraw/zinc/07/58/10/941075810.db2.gz NRUVECJKVAEIPT-CYBMUJFWSA-N 0 1 364.423 3.720 20 5 FHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000311251170 941151592 /nfs/dbraw/zinc/15/15/92/941151592.db2.gz JHNCHAYJEGTPDL-INIZCTEOSA-N 0 1 373.840 3.643 20 5 FHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(CSC(F)F)o3)CC2)n1 ZINC000376651004 941372296 /nfs/dbraw/zinc/37/22/96/941372296.db2.gz IYCSMNJVISXFSI-UHFFFAOYSA-N 0 1 372.397 3.677 20 5 FHBDMN C[C@@H](C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000414658021 941429192 /nfs/dbraw/zinc/42/91/92/941429192.db2.gz PPTWLGDXOQOWMB-AWEZNQCLSA-N 0 1 357.410 3.515 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000433774002 941891939 /nfs/dbraw/zinc/89/19/39/941891939.db2.gz JQATXORCOVHWCU-LRDDRELGSA-N 0 1 374.466 3.760 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000182620319 941947878 /nfs/dbraw/zinc/94/78/78/941947878.db2.gz PPZAUXGEEPQXGL-INIZCTEOSA-N 0 1 367.449 3.859 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000433869183 941956592 /nfs/dbraw/zinc/95/65/92/941956592.db2.gz QLZASXJOGJCAHR-SNVBAGLBSA-N 0 1 373.438 3.884 20 5 FHBDMN COc1ccccc1CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000513479864 941957139 /nfs/dbraw/zinc/95/71/39/941957139.db2.gz SJIYIUBGCLTCBT-UHFFFAOYSA-N 0 1 366.364 3.879 20 5 FHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182646358 941958203 /nfs/dbraw/zinc/95/82/03/941958203.db2.gz YGAVVRJCTDEORN-ZDUSSCGKSA-N 0 1 353.378 3.655 20 5 FHBDMN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678023 942070224 /nfs/dbraw/zinc/07/02/24/942070224.db2.gz GXBOVHFKGBZIAB-LIRRHRJNSA-N 0 1 368.412 3.950 20 5 FHBDMN Cc1cc(NCc2nnc(C(C)(C)C)s2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541189065 942217825 /nfs/dbraw/zinc/21/78/25/942217825.db2.gz JEVIZCFOUJHHEL-UHFFFAOYSA-N 0 1 357.439 3.634 20 5 FHBDMN CCS[C@@H]1CCCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000480969996 942244785 /nfs/dbraw/zinc/24/47/85/942244785.db2.gz XFFCHKJSFSOYLA-OAHLLOKOSA-N 0 1 362.455 3.752 20 5 FHBDMN Cc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1[N+](=O)[O-] ZINC000469148530 942489239 /nfs/dbraw/zinc/48/92/39/942489239.db2.gz SPPBAPIDRHWWKU-INIZCTEOSA-N 0 1 355.394 3.541 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccco2)Cc2cccs2)c1[N+](=O)[O-] ZINC000434228313 942534163 /nfs/dbraw/zinc/53/41/63/942534163.db2.gz ODRGTUVDZPZTBB-UHFFFAOYSA-N 0 1 374.422 3.938 20 5 FHBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2C)o1 ZINC000416251785 942557659 /nfs/dbraw/zinc/55/76/59/942557659.db2.gz LLKFCLZOFDGYBM-UHFFFAOYSA-N 0 1 368.393 3.794 20 5 FHBDMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505458981 942836765 /nfs/dbraw/zinc/83/67/65/942836765.db2.gz WXMMRXSJRTWTJY-UHFFFAOYSA-N 0 1 355.177 3.879 20 5 FHBDMN CC(C)(C)OC(=O)NCc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000312202855 942909296 /nfs/dbraw/zinc/90/92/96/942909296.db2.gz HVRJDXGRYLJYHS-UHFFFAOYSA-N 0 1 371.437 3.909 20 5 FHBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000378619399 942967795 /nfs/dbraw/zinc/96/77/95/942967795.db2.gz VFIFVDDKHPWYMN-CVEARBPZSA-N 0 1 371.462 3.535 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000430062022 943136800 /nfs/dbraw/zinc/13/68/00/943136800.db2.gz ZLRDGBLDMKXYQB-UHFFFAOYSA-N 0 1 357.391 3.561 20 5 FHBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000434176909 943175852 /nfs/dbraw/zinc/17/58/52/943175852.db2.gz IUYZWDDSTPIZPF-HNNXBMFYSA-N 0 1 356.426 3.981 20 5 FHBDMN COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CC(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000515045028 943470738 /nfs/dbraw/zinc/47/07/38/943470738.db2.gz ZZBMGZAMQSAPHV-CYBMUJFWSA-N 0 1 374.393 3.550 20 5 FHBDMN O=C1CCN1c1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417329875 943520225 /nfs/dbraw/zinc/52/02/25/943520225.db2.gz KBBRECFESWNKEW-HXUWFJFHSA-N 0 1 365.433 3.889 20 5 FHBDMN CC(C)c1ccc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000515184873 943540464 /nfs/dbraw/zinc/54/04/64/943540464.db2.gz PGUCOQMIWBMLPW-UHFFFAOYSA-N 0 1 352.394 3.567 20 5 FHBDMN CC(C)c1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000515254601 943605382 /nfs/dbraw/zinc/60/53/82/943605382.db2.gz URBGPUMOLIDDLP-INIZCTEOSA-N 0 1 360.376 3.998 20 5 FHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccnc(OCC(F)(F)F)c1 ZINC000516937474 943845702 /nfs/dbraw/zinc/84/57/02/943845702.db2.gz HENVPXPHGPQSMT-AWEZNQCLSA-N 0 1 367.327 3.708 20 5 FHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCN(CC(F)F)CC2)o1 ZINC000516962919 943867594 /nfs/dbraw/zinc/86/75/94/943867594.db2.gz LBFQZEANNCBIPR-UHFFFAOYSA-N 0 1 365.380 3.628 20 5 FHBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H](C2CCOCC2)C1 ZINC000425423372 943884982 /nfs/dbraw/zinc/88/49/82/943884982.db2.gz QQCQCUVJTVXDCQ-CYBMUJFWSA-N 0 1 369.259 3.606 20 5 FHBDMN COC[C@@H]1CCCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425430826 943890613 /nfs/dbraw/zinc/89/06/13/943890613.db2.gz GPCWNKJFJMJLPS-GFCCVEGCSA-N 0 1 357.248 3.606 20 5 FHBDMN O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000435967611 943892392 /nfs/dbraw/zinc/89/23/92/943892392.db2.gz OWJTZARMORBQNK-QFBILLFUSA-N 0 1 372.384 3.910 20 5 FHBDMN CC(C)C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000505736294 943909247 /nfs/dbraw/zinc/90/92/47/943909247.db2.gz ODDZODOXGJJHJT-QGZVFWFLSA-N 0 1 368.393 3.694 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000505741856 943931690 /nfs/dbraw/zinc/93/16/90/943931690.db2.gz LEAXTCLIMLVKLY-UHFFFAOYSA-N 0 1 354.406 3.785 20 5 FHBDMN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000500058846 944029115 /nfs/dbraw/zinc/02/91/15/944029115.db2.gz WTACEMISHBKJFQ-CVEARBPZSA-N 0 1 374.441 3.527 20 5 FHBDMN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505793297 944200022 /nfs/dbraw/zinc/20/00/22/944200022.db2.gz SQRKTBSMAYOULC-AWEZNQCLSA-N 0 1 354.284 3.724 20 5 FHBDMN Cc1nn(C)c(NC[C@@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000518298334 944244898 /nfs/dbraw/zinc/24/48/98/944244898.db2.gz FOBAQMMWIDHKIG-HNNXBMFYSA-N 0 1 363.849 3.539 20 5 FHBDMN CCN(CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000436380085 944250248 /nfs/dbraw/zinc/25/02/48/944250248.db2.gz VWVZUARYWTZRRD-UHFFFAOYSA-N 0 1 374.285 3.695 20 5 FHBDMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506471953 944286534 /nfs/dbraw/zinc/28/65/34/944286534.db2.gz FCUQRVYISQXINT-JTQLQIEISA-N 0 1 368.311 3.680 20 5 FHBDMN Cc1nc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1C(=O)[O-] ZINC000426665069 944302559 /nfs/dbraw/zinc/30/25/59/944302559.db2.gz ITPFZNUWRUFDSV-UHFFFAOYSA-N 0 1 367.361 3.546 20 5 FHBDMN CSc1ccc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000500257557 944347332 /nfs/dbraw/zinc/34/73/32/944347332.db2.gz DRUDVRASELPPDE-ZDUSSCGKSA-N 0 1 359.451 3.914 20 5 FHBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OCC(F)F ZINC000506178569 944358100 /nfs/dbraw/zinc/35/81/00/944358100.db2.gz QPWGZAHELWYWPW-UHFFFAOYSA-N 0 1 352.293 3.505 20 5 FHBDMN O=C(NCc1ccc(-c2ccccc2)o1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000515937989 944358529 /nfs/dbraw/zinc/35/85/29/944358529.db2.gz UVYXUKJCRANYRG-UHFFFAOYSA-N 0 1 362.345 3.661 20 5 FHBDMN COc1ccc(-c2ccc(CN[C@@H](C)c3cnn(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000517538219 944368087 /nfs/dbraw/zinc/36/80/87/944368087.db2.gz UDDCTVMYRMCPNT-LBPRGKRZSA-N 0 1 370.409 3.756 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000473771634 944419666 /nfs/dbraw/zinc/41/96/66/944419666.db2.gz FCTAITSQVPBNHN-UHFFFAOYSA-N 0 1 354.815 3.974 20 5 FHBDMN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506198793 944459234 /nfs/dbraw/zinc/45/92/34/944459234.db2.gz KWTOEIXCNFNOOH-UKRRQHHQSA-N 0 1 366.295 3.605 20 5 FHBDMN O=C(Nc1ccc(OCc2ccncc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506212355 944536782 /nfs/dbraw/zinc/53/67/82/944536782.db2.gz YFZYXRGOZIMURA-UHFFFAOYSA-N 0 1 365.345 3.527 20 5 FHBDMN COc1cc(CNCc2ccc3[nH]c(C)c(C)c3c2)c([N+](=O)[O-])cc1O ZINC000509601703 944749233 /nfs/dbraw/zinc/74/92/33/944749233.db2.gz PTYVFLUIARLLDZ-UHFFFAOYSA-N 0 1 355.394 3.697 20 5 FHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000505916991 944889244 /nfs/dbraw/zinc/88/92/44/944889244.db2.gz AAHXUNPPLXXFQH-VIFPVBQESA-N 0 1 354.284 3.810 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440306215 945389398 /nfs/dbraw/zinc/38/93/98/945389398.db2.gz QOJKBIDGAYNYCF-INIZCTEOSA-N 0 1 370.453 3.755 20 5 FHBDMN Cc1cccnc1[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000120878404 945436435 /nfs/dbraw/zinc/43/64/35/945436435.db2.gz YBDSVGPWAQRXCY-CRAIPNDOSA-N 0 1 370.453 3.921 20 5 FHBDMN O=C(NCc1csc2ccccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000108160252 945877174 /nfs/dbraw/zinc/87/71/74/945877174.db2.gz VALZNAOSBFPMCC-UHFFFAOYSA-N 0 1 352.375 3.616 20 5 FHBDMN Cc1sc(C(=O)Nc2nc(-c3ccsc3)ns2)cc1[N+](=O)[O-] ZINC000109109781 946148887 /nfs/dbraw/zinc/14/88/87/946148887.db2.gz FZBFQDZLHWHLEY-UHFFFAOYSA-N 0 1 352.422 3.797 20 5 FHBDMN COc1ccc(OCCN2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441410236 946565726 /nfs/dbraw/zinc/56/57/26/946565726.db2.gz KYMWPYVHVRCDJR-GOSISDBHSA-N 0 1 374.462 3.772 20 5 FHBDMN COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000475557045 946645184 /nfs/dbraw/zinc/64/51/84/946645184.db2.gz VWKAVJFVLDUAOK-UHFFFAOYSA-N 0 1 372.421 3.557 20 5 FHBDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000475278421 946797108 /nfs/dbraw/zinc/79/71/08/946797108.db2.gz WARHBNODKHYXQT-ABAIWWIYSA-N 0 1 368.359 3.768 20 5 FHBDMN Cc1[nH]ncc1CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000051382684 946872397 /nfs/dbraw/zinc/87/23/97/946872397.db2.gz YOMHIJNLVVIHDR-UHFFFAOYSA-N 0 1 362.455 3.695 20 5 FHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2s1 ZINC000112532167 946908792 /nfs/dbraw/zinc/90/87/92/946908792.db2.gz YUPCCXNPUYTUHI-VXGBXAGGSA-N 0 1 370.434 3.882 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC1CCCCC1)C1CC1 ZINC000053359862 946909171 /nfs/dbraw/zinc/90/91/71/946909171.db2.gz RCBCZDOWFULLCC-UHFFFAOYSA-N 0 1 361.442 3.587 20 5 FHBDMN CCS(=O)(=O)c1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000467421787 946910526 /nfs/dbraw/zinc/91/05/26/946910526.db2.gz YLIDEFHGHKXUPJ-CQSZACIVSA-N 0 1 362.451 3.548 20 5 FHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000444551389 946991264 /nfs/dbraw/zinc/99/12/64/946991264.db2.gz RUFWWFQDCYLIFN-ZETCQYMHSA-N 0 1 371.212 3.615 20 5 FHBDMN CC(C)COc1ccccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494812 947047922 /nfs/dbraw/zinc/04/79/22/947047922.db2.gz NNDMRZJBPZTKLP-KRWDZBQOSA-N 0 1 370.453 3.711 20 5 FHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444791880 947231922 /nfs/dbraw/zinc/23/19/22/947231922.db2.gz MCRFPXPGMMJICH-QGZVFWFLSA-N 0 1 361.829 3.637 20 5 FHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444791879 947232101 /nfs/dbraw/zinc/23/21/01/947232101.db2.gz MCRFPXPGMMJICH-KRWDZBQOSA-N 0 1 361.829 3.637 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CC=C(c3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000523685061 947513927 /nfs/dbraw/zinc/51/39/27/947513927.db2.gz PFNDFZGRZMQUTG-UHFFFAOYSA-N 0 1 362.389 3.709 20 5 FHBDMN Cc1ccc2nc(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000467007612 947865014 /nfs/dbraw/zinc/86/50/14/947865014.db2.gz RFBGYOWNRPNKKV-UHFFFAOYSA-N 0 1 367.409 3.530 20 5 FHBDMN CCc1ccc([C@@H](N[C@H]2CC[C@@H](CO)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000585794110 948301696 /nfs/dbraw/zinc/30/16/96/948301696.db2.gz FFCNUAFNQRRGMP-NBQZKYEYSA-N 0 1 358.438 3.980 20 5 FHBDMN COC(=O)COc1ccc(CNCc2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000474005856 948586238 /nfs/dbraw/zinc/58/62/38/948586238.db2.gz BEOGAQLWGHQWFE-UHFFFAOYSA-N 0 1 372.421 3.560 20 5 FHBDMN COc1ccc(N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000432494911 948588661 /nfs/dbraw/zinc/58/86/61/948588661.db2.gz PENVMZHHEJATGA-LBPRGKRZSA-N 0 1 356.378 3.754 20 5 FHBDMN COc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000574854960 948634219 /nfs/dbraw/zinc/63/42/19/948634219.db2.gz FYDUTTBXXQFIJC-QGPMSJSTSA-N 0 1 366.433 3.648 20 5 FHBDMN CC[C@H](c1ccccc1OC)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000568071986 567835568 /nfs/dbraw/zinc/83/55/68/567835568.db2.gz HCTNOKFXYWJMEN-MRXNPFEDSA-N 0 1 368.393 3.703 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1 ZINC000541803765 567856448 /nfs/dbraw/zinc/85/64/48/567856448.db2.gz FKVDQBUXQPLKKX-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN COCCOCc1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000291099397 568049515 /nfs/dbraw/zinc/04/95/15/568049515.db2.gz ZOCDPUNBAVQACM-UHFFFAOYSA-N 0 1 364.829 3.701 20 5 FHBDMN CCc1[nH]nc(C(=O)N(CC)Cc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000517927605 568255579 /nfs/dbraw/zinc/25/55/79/568255579.db2.gz TUXSKRMVONPYKX-UHFFFAOYSA-N 0 1 371.224 3.849 20 5 FHBDMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736583245 600215379 /nfs/dbraw/zinc/21/53/79/600215379.db2.gz LUPSURIRXQCNEQ-CYBMUJFWSA-N 0 1 362.813 3.971 20 5 FHBDMN O=C([O-])C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739795538 600216322 /nfs/dbraw/zinc/21/63/22/600216322.db2.gz LXXNYPBPCNUIAE-UHFFFAOYSA-N 0 1 370.739 3.613 20 5 FHBDMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739795538 600216323 /nfs/dbraw/zinc/21/63/23/600216323.db2.gz LXXNYPBPCNUIAE-UHFFFAOYSA-N 0 1 370.739 3.613 20 5 FHBDMN O=C([O-])N1CCc2cccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)c21 ZINC000832087425 603867459 /nfs/dbraw/zinc/86/74/59/603867459.db2.gz TYBCKJIZOMYKJE-UHFFFAOYSA-N 0 1 361.785 3.579 20 5 FHBDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414687199 604528153 /nfs/dbraw/zinc/52/81/53/604528153.db2.gz WMHFILDOGADLAS-HNNXBMFYSA-N 0 1 360.341 3.575 20 5 FHBDMN CC(C)[N@@H+](Cc1ccc(O[C@H](C)C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000833538700 604535264 /nfs/dbraw/zinc/53/52/64/604535264.db2.gz VCNMWGDZKINMTE-OAHLLOKOSA-N 0 1 372.421 3.857 20 5 FHBDMN C[N@H+]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000833697932 604679268 /nfs/dbraw/zinc/67/92/68/604679268.db2.gz JXEHSQQOBLQAHA-FCWHSMDSSA-N 0 1 367.405 3.550 20 5 FHBDMN CCC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000825242610 608282451 /nfs/dbraw/zinc/28/24/51/608282451.db2.gz WOEBMWOKZYJVCC-QGZVFWFLSA-N 0 1 370.388 3.545 20 5 FHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc2c(c1)OCCO2 ZINC000178729050 936327018 /nfs/dbraw/zinc/32/70/18/936327018.db2.gz AFKCECWZERHOCA-MRXNPFEDSA-N 0 1 358.394 3.616 20 5 FHBDMN CCCN(CCN1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000557572923 927075731 /nfs/dbraw/zinc/07/57/31/927075731.db2.gz CWFXFZRDYNGCHR-UHFFFAOYSA-N 0 1 361.467 3.758 20 5 FHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186944714 927598276 /nfs/dbraw/zinc/59/82/76/927598276.db2.gz IEEHFOQCGKQIAX-OAHLLOKOSA-N 0 1 358.413 3.865 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000120198165 927604423 /nfs/dbraw/zinc/60/44/23/927604423.db2.gz SJKOFJBBALOUKL-UHFFFAOYSA-N 0 1 374.416 3.734 20 5 FHBDMN CC(C)C[C@H](N)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000583262421 937295423 /nfs/dbraw/zinc/29/54/23/937295423.db2.gz CDUHFQRYRGXJQI-LBPRGKRZSA-N 0 1 359.411 3.814 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000610238064 929044323 /nfs/dbraw/zinc/04/43/23/929044323.db2.gz FNIXCGIZQNQUNL-UHFFFAOYSA-N 0 1 367.449 3.560 20 5 FHBDMN C[C@@H](CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000066853631 929208214 /nfs/dbraw/zinc/20/82/14/929208214.db2.gz GOIMDXGNUWZJMP-AWEZNQCLSA-N 0 1 352.394 3.880 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000134780697 929237445 /nfs/dbraw/zinc/23/74/45/929237445.db2.gz UYUSGAHZEHYHEO-JKSUJKDBSA-N 0 1 350.415 3.884 20 5 FHBDMN C[C@@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC001167331818 929943301 /nfs/dbraw/zinc/94/33/01/929943301.db2.gz ASTJUERQGKDWML-GFCCVEGCSA-N 0 1 371.275 3.873 20 5 FHBDMN C[C@@H](O)CN(Cc1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC001167331818 929943306 /nfs/dbraw/zinc/94/33/06/929943306.db2.gz ASTJUERQGKDWML-GFCCVEGCSA-N 0 1 371.275 3.873 20 5 FHBDMN CC1CCN(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275762511 930188569 /nfs/dbraw/zinc/18/85/69/930188569.db2.gz ZZHJVXCKMHMRST-UHFFFAOYSA-N 0 1 363.461 3.555 20 5 FHBDMN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046358202 930764268 /nfs/dbraw/zinc/76/42/68/930764268.db2.gz GBTDJEPAYOUOMD-JTQLQIEISA-N 0 1 358.785 3.958 20 5 FHBDMN COc1cccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000537028297 930772435 /nfs/dbraw/zinc/77/24/35/930772435.db2.gz RJOQOMNTZCSVFK-NSHDSACASA-N 0 1 363.801 3.546 20 5 FHBDMN Cc1cccc2c1OC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000579779026 931019540 /nfs/dbraw/zinc/01/95/40/931019540.db2.gz WJSAEBDZMJTOOL-CQSZACIVSA-N 0 1 364.348 3.598 20 5 FHBDMN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000537852652 931339839 /nfs/dbraw/zinc/33/98/39/931339839.db2.gz IDGDUKGETNNKNE-OCCSQVGLSA-N 0 1 374.466 3.920 20 5 FHBDMN Cc1c([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000610575373 932066302 /nfs/dbraw/zinc/06/63/02/932066302.db2.gz SVLFCUXZDNTYRK-LBPRGKRZSA-N 0 1 370.384 3.784 20 5 FHBDMN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000255340780 932405085 /nfs/dbraw/zinc/40/50/85/932405085.db2.gz MUGBUUWLCHZZIN-BQLWYNFJSA-N 0 1 366.339 3.648 20 5 FHBDMN C[C@@H]1CC[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001167487426 932849869 /nfs/dbraw/zinc/84/98/69/932849869.db2.gz LXSWMKFFXKYXNH-MNOVXSKESA-N 0 1 350.806 3.919 20 5 FHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000588435603 932937872 /nfs/dbraw/zinc/93/78/72/932937872.db2.gz HKGWAQMXICSBGC-OJSRQPNCSA-N 0 1 369.421 3.544 20 5 FHBDMN Cc1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2ccccc2n1 ZINC000510505299 933145718 /nfs/dbraw/zinc/14/57/18/933145718.db2.gz FQGJOXDNRFVHIY-UHFFFAOYSA-N 0 1 362.433 3.774 20 5 FHBDMN CN(C(=O)CN1CCC(C)(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000510771867 933694457 /nfs/dbraw/zinc/69/44/57/933694457.db2.gz YHNKHNUFKMISOI-UHFFFAOYSA-N 0 1 367.449 3.611 20 5 FHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000276966635 934155864 /nfs/dbraw/zinc/15/58/64/934155864.db2.gz PVIIIAZJLBGZIK-SKDRFNHKSA-N 0 1 360.418 3.726 20 5 FHBDMN CCOc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276972899 934177858 /nfs/dbraw/zinc/17/78/58/934177858.db2.gz XHUHXUDPQISSBW-CANCMXDXSA-N 0 1 362.451 3.582 20 5 FHBDMN Cc1cc(N[C@@H]2CCc3cnn(C(C)C)c3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000477974803 934579937 /nfs/dbraw/zinc/57/99/37/934579937.db2.gz WLNYCXBHGDRVOX-OAHLLOKOSA-N 0 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Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157729591 935171497 /nfs/dbraw/zinc/17/14/97/935171497.db2.gz YPUCAXWRGQCGSC-JSGCOSHPSA-N 0 1 373.457 3.533 20 5 FHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157910188 935221194 /nfs/dbraw/zinc/22/11/94/935221194.db2.gz BQBIERKZQCFXMT-GXTWGEPZSA-N 0 1 373.457 3.533 20 5 FHBDMN O=[N+]([O-])c1ccc(CCN(Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC000611575009 935246238 /nfs/dbraw/zinc/24/62/38/935246238.db2.gz BEEQBCICHYNTKY-KRWDZBQOSA-N 0 1 368.355 3.563 20 5 FHBDMN COc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000072058569 935267032 /nfs/dbraw/zinc/26/70/32/935267032.db2.gz QIPCHTYVNXGONZ-UHFFFAOYSA-N 0 1 366.377 4.000 20 5 FHBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000023388889 935585623 /nfs/dbraw/zinc/58/56/23/935585623.db2.gz PHNIEWDFRICYDS-HXUWFJFHSA-N 0 1 372.384 3.991 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000127618934 935660524 /nfs/dbraw/zinc/66/05/24/935660524.db2.gz KWSDJDBSAYTQMS-UHFFFAOYSA-N 0 1 374.416 3.734 20 5 FHBDMN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000511131295 935750351 /nfs/dbraw/zinc/75/03/51/935750351.db2.gz QHRKRBBRHYFPAR-UHFFFAOYSA-N 0 1 370.814 3.838 20 5 FHBDMN Cc1noc(C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277663568 935791470 /nfs/dbraw/zinc/79/14/70/935791470.db2.gz OGCCYEAMPAZXIB-KRWDZBQOSA-N 0 1 352.394 3.668 20 5 FHBDMN Cc1noc(C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277663571 935791520 /nfs/dbraw/zinc/79/15/20/935791520.db2.gz OGCCYEAMPAZXIB-QGZVFWFLSA-N 0 1 352.394 3.668 20 5 FHBDMN O=C(N[C@@H](c1ccccc1)C1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000519126596 945130935 /nfs/dbraw/zinc/13/09/35/945130935.db2.gz DWRPRVDULFJNAN-KRWDZBQOSA-N 0 1 350.378 3.742 20 5 FHBDMN O=C(NCCCCc1ccc(F)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000479242810 935820222 /nfs/dbraw/zinc/82/02/22/935820222.db2.gz OEFQWJWOQFVXGD-UHFFFAOYSA-N 0 1 374.347 3.502 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000479308074 935824484 /nfs/dbraw/zinc/82/44/84/935824484.db2.gz NZASKAOMKLEQEX-UHFFFAOYSA-N 0 1 369.402 3.766 20 5 FHBDMN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N(C)C ZINC000024058182 935916568 /nfs/dbraw/zinc/91/65/68/935916568.db2.gz XYPABSKIGUYZRI-SFHVURJKSA-N 0 1 366.421 3.866 20 5 FHBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000187792754 936000981 /nfs/dbraw/zinc/00/09/81/936000981.db2.gz ZDBKCUIEDPVSOV-AWEZNQCLSA-N 0 1 361.467 3.572 20 5 FHBDMN CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644939 936022412 /nfs/dbraw/zinc/02/24/12/936022412.db2.gz AQTGWRCLQZBBFQ-OAHLLOKOSA-N 0 1 355.438 3.976 20 5 FHBDMN Cc1cc(N2CCN(C(=O)CC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611918310 936087098 /nfs/dbraw/zinc/08/70/98/936087098.db2.gz WDMFHOJNTMDKFU-UHFFFAOYSA-N 0 1 370.453 3.536 20 5 FHBDMN 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/nfs/dbraw/zinc/25/07/50/944250750.db2.gz FDLHSAUPIUZAQA-UHFFFAOYSA-N 0 1 371.780 3.634 20 5 FHBDMN C[C@@H](c1nc(-c2ccc(F)c(CN(C)C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000517432376 944290671 /nfs/dbraw/zinc/29/06/71/944290671.db2.gz OWSGLXMBBHQQIK-GFCCVEGCSA-N 0 1 370.384 3.997 20 5 FHBDMN O=C(Nc1ccc(Oc2ccccc2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506174125 944303329 /nfs/dbraw/zinc/30/33/29/944303329.db2.gz OPSHTTQODGSCAW-UHFFFAOYSA-N 0 1 351.318 3.740 20 5 FHBDMN CSc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000500235916 944315722 /nfs/dbraw/zinc/31/57/22/944315722.db2.gz ZVWFXPOZZSBWMP-ZDUSSCGKSA-N 0 1 359.451 3.914 20 5 FHBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1c(O)cc(Cl)cc1Cl ZINC000436524338 944392566 /nfs/dbraw/zinc/39/25/66/944392566.db2.gz GSXFIBIMKICJDX-UHFFFAOYSA-N 0 1 355.177 3.580 20 5 FHBDMN CC[C@@H](NCc1cc2ccccc2n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000426311459 944428584 /nfs/dbraw/zinc/42/85/84/944428584.db2.gz NVVAKYOXSURDHJ-GOSISDBHSA-N 0 1 351.406 3.688 20 5 FHBDMN COc1ccc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1OC(F)F ZINC000506193931 944439615 /nfs/dbraw/zinc/43/96/15/944439615.db2.gz ZAENYVVJHKUZPT-UHFFFAOYSA-N 0 1 368.336 3.542 20 5 FHBDMN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000517657585 944472195 /nfs/dbraw/zinc/47/21/95/944472195.db2.gz DVMNBQRJDYRTCZ-UHFFFAOYSA-N 0 1 365.861 3.586 20 5 FHBDMN COc1cc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1F ZINC000184310048 944566426 /nfs/dbraw/zinc/56/64/26/944566426.db2.gz ZMUWDMSPMPPKKU-ZDUSSCGKSA-N 0 1 370.384 3.779 20 5 FHBDMN CC[C@@H]1CCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485020 944668142 /nfs/dbraw/zinc/66/81/42/944668142.db2.gz CKSOVYSFEMKRKB-CHWSQXEVSA-N 0 1 374.466 3.777 20 5 FHBDMN COc1cc(CNCc2ccc3[nH]c(C)c(C)c3c2)c([N+](=O)[O-])cc1OC ZINC000509601889 944749110 /nfs/dbraw/zinc/74/91/10/944749110.db2.gz QJHJYKRDOYMNAW-UHFFFAOYSA-N 0 1 369.421 4.000 20 5 FHBDMN O=C(NCCc1c(Cl)cccc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505913106 944869438 /nfs/dbraw/zinc/86/94/38/944869438.db2.gz PUMVQVFWJZXOEU-UHFFFAOYSA-N 0 1 355.177 3.580 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)c3c(F)cccc3F)o2)c1 ZINC000123994672 944908965 /nfs/dbraw/zinc/90/89/65/944908965.db2.gz VNNHXUNUTSPBAV-QGZVFWFLSA-N 0 1 374.343 3.956 20 5 FHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000511712464 944938170 /nfs/dbraw/zinc/93/81/70/944938170.db2.gz BKZXIWDMQPZQGW-UHFFFAOYSA-N 0 1 365.393 3.930 20 5 FHBDMN COc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000426919591 944940053 /nfs/dbraw/zinc/94/00/53/944940053.db2.gz WNFCLKFMOPSILX-UHFFFAOYSA-N 0 1 356.256 3.580 20 5 FHBDMN CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311465244 945052317 /nfs/dbraw/zinc/05/23/17/945052317.db2.gz MYSRKQCZIKBVSM-OAHLLOKOSA-N 0 1 373.840 3.595 20 5 FHBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383417036 945433170 /nfs/dbraw/zinc/43/31/70/945433170.db2.gz OIULWRDJXHEMQR-ZBFHGGJFSA-N 0 1 369.421 3.616 20 5 FHBDMN COc1ccc(NC(=O)CN[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757921 945742283 /nfs/dbraw/zinc/74/22/83/945742283.db2.gz XMCVPPQAJBGQHM-GFCCVEGCSA-N 0 1 369.377 3.639 20 5 FHBDMN CC(C)c1ccc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000574440077 945801103 /nfs/dbraw/zinc/80/11/03/945801103.db2.gz NJCNYTDTSREOAG-APWZRJJASA-N 0 1 372.425 3.694 20 5 FHBDMN CCOc1ccc(NC(=O)CN2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000444240751 946117098 /nfs/dbraw/zinc/11/70/98/946117098.db2.gz DGGAWPPBKJCSDC-CKEIUWERSA-N 0 1 361.442 3.585 20 5 FHBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000444295644 946180849 /nfs/dbraw/zinc/18/08/49/946180849.db2.gz FBVKRRXZUTXSOG-GDBMZVCRSA-N 0 1 356.426 3.597 20 5 FHBDMN C[C@H](CC(F)(F)CN)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211898231 946334491 /nfs/dbraw/zinc/33/44/91/946334491.db2.gz WNRGAGDUDBICCZ-LLVKDONJSA-N 0 1 369.375 3.921 20 5 FHBDMN COc1ccc(-c2ccc(CN[C@H](C)c3cn(C)nc3C)o2)c([N+](=O)[O-])c1 ZINC000237440202 946554339 /nfs/dbraw/zinc/55/43/39/946554339.db2.gz AMZDBWRVPQBBIA-GFCCVEGCSA-N 0 1 370.409 3.756 20 5 FHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000444458077 946894240 /nfs/dbraw/zinc/89/42/40/946894240.db2.gz KSPGLJGSOAVNCQ-SECBINFHSA-N 0 1 365.183 3.554 20 5 FHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000112532164 946908917 /nfs/dbraw/zinc/90/89/17/946908917.db2.gz YUPCCXNPUYTUHI-NEPJUHHUSA-N 0 1 370.434 3.882 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CNCC[C@H]3OCCc4ccccc43)nc2c1 ZINC000897234233 946982557 /nfs/dbraw/zinc/98/25/57/946982557.db2.gz LOAPBICLNZEJLX-QGZVFWFLSA-N 0 1 353.378 3.530 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3Cc3ccc(F)cc3)nc2c1 ZINC000444595986 947020610 /nfs/dbraw/zinc/02/06/10/947020610.db2.gz KOFGXMQKHLAEAA-OAHLLOKOSA-N 0 1 354.385 3.817 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC000444644206 947067118 /nfs/dbraw/zinc/06/71/18/947067118.db2.gz VGQDYUWPLAXIDX-AWEZNQCLSA-N 0 1 354.385 3.675 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](C[C@@H]3CCOC3)c3ccccc3)nc2c1 ZINC000444689785 947113299 /nfs/dbraw/zinc/11/32/99/947113299.db2.gz PGAMTSYEWTVBGW-KBXCAEBGSA-N 0 1 366.421 3.729 20 5 FHBDMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000125691858 947353275 /nfs/dbraw/zinc/35/32/75/947353275.db2.gz RVFCNBFHXPZMBF-UHFFFAOYSA-N 0 1 354.410 3.564 20 5 FHBDMN Cc1coc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)n1 ZINC000150798839 947576437 /nfs/dbraw/zinc/57/64/37/947576437.db2.gz GTZZABKULXMDJJ-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN COc1ccc(-c2ccc(CNCc3scnc3C)o2)c([N+](=O)[O-])c1 ZINC000105494151 948044773 /nfs/dbraw/zinc/04/47/73/948044773.db2.gz HXLRAWPHFSAEBN-UHFFFAOYSA-N 0 1 359.407 3.918 20 5 FHBDMN O=C(CCN1CCc2ccc(Cl)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000536428032 948074567 /nfs/dbraw/zinc/07/45/67/948074567.db2.gz LYFLGPDHULRANN-UHFFFAOYSA-N 0 1 359.813 3.635 20 5 FHBDMN COc1ccc(CNCc2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000106467869 948192030 /nfs/dbraw/zinc/19/20/30/948192030.db2.gz OLPURYWWHSOTME-UHFFFAOYSA-N 0 1 369.190 3.795 20 5 FHBDMN COc1cc2c(cc1OC)CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000512036002 948247923 /nfs/dbraw/zinc/24/79/23/948247923.db2.gz BRUPFXNTLGLGCF-ALCCZGGFSA-N 0 1 368.433 3.726 20 5 FHBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000141505185 948288737 /nfs/dbraw/zinc/28/87/37/948288737.db2.gz TWGZBQVBSRZXJB-MRXNPFEDSA-N 0 1 352.350 3.575 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436563332 567851171 /nfs/dbraw/zinc/85/11/71/567851171.db2.gz LHTJBZOYOFEMTI-UHFFFAOYSA-N 0 1 371.176 3.546 20 5 FHBDMN CCN(CC)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000481466596 567964818 /nfs/dbraw/zinc/96/48/18/567964818.db2.gz NMVFWOUZNUBKFG-LJQANCHMSA-N 0 1 355.438 3.603 20 5 FHBDMN CC(C)CN(CCc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000481555269 568047347 /nfs/dbraw/zinc/04/73/47/568047347.db2.gz LCAIZHSBTDARQU-UHFFFAOYSA-N 0 1 366.421 3.812 20 5 FHBDMN CC[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481545887 568049690 /nfs/dbraw/zinc/04/96/90/568049690.db2.gz PGAFQJLCUKOVSK-RBUKOAKNSA-N 0 1 355.438 3.855 20 5 FHBDMN CCSCC[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072901159 568056810 /nfs/dbraw/zinc/05/68/10/568056810.db2.gz IAMQHCKCUBIYBG-LLVKDONJSA-N 0 1 359.879 3.650 20 5 FHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291165032 568066410 /nfs/dbraw/zinc/06/64/10/568066410.db2.gz GFLQFORWXPRBHC-CYBMUJFWSA-N 0 1 372.400 3.504 20 5 FHBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291165036 568066473 /nfs/dbraw/zinc/06/64/73/568066473.db2.gz GFLQFORWXPRBHC-ZDUSSCGKSA-N 0 1 372.400 3.504 20 5 FHBDMN CCOc1ccc([C@@H](C)N[C@H](CC(=O)NC)c2ccccc2)cc1[N+](=O)[O-] ZINC000482084069 568257782 /nfs/dbraw/zinc/25/77/82/568257782.db2.gz WOZJVFCMMFOEOY-RHSMWYFYSA-N 0 1 371.437 3.522 20 5 FHBDMN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000181956422 568268787 /nfs/dbraw/zinc/26/87/87/568268787.db2.gz VUTSRHUATASMTB-CQSZACIVSA-N 0 1 364.405 3.718 20 5 FHBDMN O=[N+]([O-])c1cnc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)nc1 ZINC000302108075 568291252 /nfs/dbraw/zinc/29/12/52/568291252.db2.gz ATMWJTVHYHKKCM-UHFFFAOYSA-N 0 1 369.193 3.628 20 5 FHBDMN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482193698 568310649 /nfs/dbraw/zinc/31/06/49/568310649.db2.gz PNJDEVRNJVDFJD-CABZTGNLSA-N 0 1 370.331 3.570 20 5 FHBDMN Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000031766406 568336673 /nfs/dbraw/zinc/33/66/73/568336673.db2.gz ZBLIZBBGVWJLRW-UHFFFAOYSA-N 0 1 367.449 3.560 20 5 FHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000031766406 568336674 /nfs/dbraw/zinc/33/66/74/568336674.db2.gz ZBLIZBBGVWJLRW-UHFFFAOYSA-N 0 1 367.449 3.560 20 5 FHBDMN COc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000570241101 568465392 /nfs/dbraw/zinc/46/53/92/568465392.db2.gz AZMHBSBTRUNRTL-UHFFFAOYSA-N 0 1 370.814 3.674 20 5 FHBDMN CC[C@@H]([NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000828982382 601380455 /nfs/dbraw/zinc/38/04/55/601380455.db2.gz CSVFBXHMIRUCAB-SWLSCSKDSA-N 0 1 373.409 3.550 20 5 FHBDMN C[C@@H](Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537008 604534948 /nfs/dbraw/zinc/53/49/48/604534948.db2.gz FWQQDHXDWTWYBC-CQSZACIVSA-N 0 1 370.405 3.611 20 5 FHBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414659575 604677027 /nfs/dbraw/zinc/67/70/27/604677027.db2.gz TWTOLMWTJGEZHS-LJQANCHMSA-N 0 1 374.368 3.823 20 5 FHBDMN O=C([O-])CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000833226938 604784883 /nfs/dbraw/zinc/78/48/83/604784883.db2.gz VELYYRBRGFDPMU-UHFFFAOYSA-N 0 1 369.377 3.603 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000593747753 604944586 /nfs/dbraw/zinc/94/45/86/604944586.db2.gz BJACGJZPORHKPL-HNNXBMFYSA-N 0 1 364.442 3.705 20 5 FHBDMN CCC[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000825242609 608282651 /nfs/dbraw/zinc/28/26/51/608282651.db2.gz WOEBMWOKZYJVCC-KRWDZBQOSA-N 0 1 370.388 3.545 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826282985 609152242 /nfs/dbraw/zinc/15/22/42/609152242.db2.gz HORFSSYCHLWZJG-VXGBXAGGSA-N 0 1 370.388 3.634 20 5 FHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cs1 ZINC000120200014 927604229 /nfs/dbraw/zinc/60/42/29/927604229.db2.gz MCAVCVKAVFCJOV-UHFFFAOYSA-N 0 1 367.433 3.581 20 5 FHBDMN CCSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000610194302 927891577 /nfs/dbraw/zinc/89/15/77/927891577.db2.gz YCPAZEXSPPATDR-UHFFFAOYSA-N 0 1 366.464 3.957 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000430203949 927999773 /nfs/dbraw/zinc/99/97/73/927999773.db2.gz PXZOFUKHPXGDIQ-BEFAXECRSA-N 0 1 356.422 3.861 20 5 FHBDMN COc1ccccc1[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N(C)C ZINC000097472540 928292738 /nfs/dbraw/zinc/29/27/38/928292738.db2.gz IVVIOSNCXFHHMC-GOSISDBHSA-N 0 1 366.421 3.866 20 5 FHBDMN Cc1ccccc1OCCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167083753 928754793 /nfs/dbraw/zinc/75/47/93/928754793.db2.gz IREQVARTFDEODZ-MRXNPFEDSA-N 0 1 371.437 3.631 20 5 FHBDMN CN(C(=O)[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430303307 929616210 /nfs/dbraw/zinc/61/62/10/929616210.db2.gz MVNNUAGSIIDWOD-AWEZNQCLSA-N 0 1 373.840 3.733 20 5 FHBDMN C[C@H](CN1CCCCC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275672250 929823198 /nfs/dbraw/zinc/82/31/98/929823198.db2.gz NEBKNSPXZQHNIH-OAHLLOKOSA-N 0 1 363.461 3.698 20 5 FHBDMN O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001167329075 929892847 /nfs/dbraw/zinc/89/28/47/929892847.db2.gz HRUIHBMEYOJRDL-UHFFFAOYSA-N 0 1 358.741 3.596 20 5 FHBDMN CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610420401 930487079 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O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](c4ccccc4)C3)n2)c1 ZINC000477291103 932453329 /nfs/dbraw/zinc/45/33/29/932453329.db2.gz QEZYPABNCYASDY-INIZCTEOSA-N 0 1 350.378 3.634 20 5 FHBDMN O=[N+]([O-])c1ccc(CCN2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000510484810 932899438 /nfs/dbraw/zinc/89/94/38/932899438.db2.gz YEJNGQZWNDFRMB-UHFFFAOYSA-N 0 1 366.396 3.520 20 5 FHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1ncco1 ZINC000178225581 932921213 /nfs/dbraw/zinc/92/12/13/932921213.db2.gz RCFXLVPDYRGWLJ-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN C[C@H]1C[C@H](O)CN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471803359 932974476 /nfs/dbraw/zinc/97/44/76/932974476.db2.gz GUHWYHCHUYCQOV-JSGCOSHPSA-N 0 1 362.813 3.996 20 5 FHBDMN C[S@](=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000610574716 933157916 /nfs/dbraw/zinc/15/79/16/933157916.db2.gz BAYJZFJIWZWGHU-SANMLTNESA-N 0 1 370.430 3.882 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1CN(CCc1ccccn1)Cc1cccnc1 ZINC000430873066 933348887 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362.376 3.961 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]4COCC[C@H]43)cs2)c1 ZINC000535800473 934395732 /nfs/dbraw/zinc/39/57/32/934395732.db2.gz BNIDSJCXZLGQNH-WMLDXEAASA-N 0 1 359.451 3.719 20 5 FHBDMN C[C@@H](CCSc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610899976 934583715 /nfs/dbraw/zinc/58/37/15/934583715.db2.gz ABGGVKJEBXSKFI-INIZCTEOSA-N 0 1 372.494 3.683 20 5 FHBDMN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555778 934802992 /nfs/dbraw/zinc/80/29/92/934802992.db2.gz VHJFCWVOYLUMII-HNAYVOBHSA-N 0 1 370.405 3.540 20 5 FHBDMN COc1cc(CN2CCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538736557 934898850 /nfs/dbraw/zinc/89/88/50/934898850.db2.gz NHZOFWIZQAPCNA-UHFFFAOYSA-N 0 1 362.348 3.776 20 5 FHBDMN O=C(c1ccc2cncn2c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000551559629 935310009 /nfs/dbraw/zinc/31/00/09/935310009.db2.gz CATKRSPHBCNGHP-UHFFFAOYSA-N 0 1 350.378 3.832 20 5 FHBDMN CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000478219265 935593757 /nfs/dbraw/zinc/59/37/57/935593757.db2.gz XDERAOOLIRFLKS-ZDUSSCGKSA-N 0 1 362.769 3.772 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCC(CC)(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000478320848 935608905 /nfs/dbraw/zinc/60/89/05/935608905.db2.gz DEFLMICPNGKEEJ-UHFFFAOYSA-N 0 1 370.453 3.755 20 5 FHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000507290333 945119508 /nfs/dbraw/zinc/11/95/08/945119508.db2.gz IQTYEVUCGKXAGL-NSHDSACASA-N 0 1 374.368 3.719 20 5 FHBDMN CC(C)c1nc([C@H]2CCCCN2c2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000582447273 935721642 /nfs/dbraw/zinc/72/16/42/935721642.db2.gz DTEQHSGEXCPCGP-LLVKDONJSA-N 0 1 350.810 3.616 20 5 FHBDMN Cc1noc(C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)n1 ZINC000563419878 935882505 /nfs/dbraw/zinc/88/25/05/935882505.db2.gz ZVOQMGJWUZTKAS-QZTJIDSGSA-N 0 1 364.405 3.847 20 5 FHBDMN C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178644381 936021617 /nfs/dbraw/zinc/02/16/17/936021617.db2.gz DYQMOZIWCSIXQB-LLVKDONJSA-N 0 1 355.316 3.782 20 5 FHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000277877002 936076547 /nfs/dbraw/zinc/07/65/47/936076547.db2.gz KQWGGBANCWTESM-AWEZNQCLSA-N 0 1 367.858 3.651 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178690560 936207385 /nfs/dbraw/zinc/20/73/85/936207385.db2.gz RIVMUVJABRSDDA-GJZGRUSLSA-N 0 1 373.428 3.740 20 5 FHBDMN COc1cc(CN(C)CCc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000051999671 936306249 /nfs/dbraw/zinc/30/62/49/936306249.db2.gz QAMHHJKLNLIPLT-UHFFFAOYSA-N 0 1 366.364 3.879 20 5 FHBDMN COc1ccccc1[C@@H](CNc1ncccc1[N+](=O)[O-])N1CCCCC1 ZINC000052474150 938322779 /nfs/dbraw/zinc/32/27/79/938322779.db2.gz NKPJUYNOQKZWPZ-QGZVFWFLSA-N 0 1 356.426 3.638 20 5 FHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000278408801 938394901 /nfs/dbraw/zinc/39/49/01/938394901.db2.gz YJPCCWPQNCFQQN-SCZZXKLOSA-N 0 1 365.821 3.679 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000584261959 938663867 /nfs/dbraw/zinc/66/38/67/938663867.db2.gz CUTAPPQUGMAOCY-GOSISDBHSA-N 0 1 374.416 3.721 20 5 FHBDMN CCOc1ccc([C@H](C)N[C@@H](CO)c2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000090844075 938883481 /nfs/dbraw/zinc/88/34/81/938883481.db2.gz CFBZYBVDHUPVJX-KSSFIOAISA-N 0 1 358.438 3.940 20 5 FHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3CCc4ccc(Cl)cc43)C2)nc1 ZINC000544071895 938994015 /nfs/dbraw/zinc/99/40/15/938994015.db2.gz YZXWJGKMJQALHY-WMLDXEAASA-N 0 1 358.829 3.817 20 5 FHBDMN C[C@@H]1c2c(F)cccc2CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548844610 938998393 /nfs/dbraw/zinc/99/83/93/938998393.db2.gz PHGPKSGAVSGSCN-CYBMUJFWSA-N 0 1 357.385 3.682 20 5 FHBDMN O=[N+]([O-])c1cccc(Cl)c1NCc1n[nH]c(COc2ccccc2)n1 ZINC000432176265 945260633 /nfs/dbraw/zinc/26/06/33/945260633.db2.gz LHIAUNNJXIYVHN-UHFFFAOYSA-N 0 1 359.773 3.557 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179527297 939881900 /nfs/dbraw/zinc/88/19/00/939881900.db2.gz LFBWMYGSYUTEJF-HNNXBMFYSA-N 0 1 371.437 3.980 20 5 FHBDMN CN(Cc1nnc[nH]1)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000179794990 939938213 /nfs/dbraw/zinc/93/82/13/939938213.db2.gz ZFKLAZNDAZBFBI-UHFFFAOYSA-N 0 1 373.800 3.791 20 5 FHBDMN CCCN(C[C@@H]1CCCCO1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411371161 940032951 /nfs/dbraw/zinc/03/29/51/940032951.db2.gz WUVHWDXLQGNFBQ-PBHICJAKSA-N 0 1 374.441 3.987 20 5 FHBDMN Cc1ccc2ncc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1 ZINC000411375495 940033377 /nfs/dbraw/zinc/03/33/77/940033377.db2.gz QESHCFIEIUHNHM-KRWDZBQOSA-N 0 1 363.421 3.533 20 5 FHBDMN CC[C@H](NCc1ccc(C(=O)OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181687905 945315703 /nfs/dbraw/zinc/31/57/03/945315703.db2.gz WEOKSGQKAHGHCP-KRWDZBQOSA-N 0 1 358.394 3.631 20 5 FHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(NC(=O)c2cccs2)CC1 ZINC000066471314 940498211 /nfs/dbraw/zinc/49/82/11/940498211.db2.gz BDRARYJUICXLNQ-ZDUSSCGKSA-N 0 1 359.451 3.612 20 5 FHBDMN O=C(CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000180157478 940719606 /nfs/dbraw/zinc/71/96/06/940719606.db2.gz NTWLZFIMQIFBDQ-NRFANRHFSA-N 0 1 367.449 3.676 20 5 FHBDMN Cn1ccnc1[C@H](NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414201502 940754609 /nfs/dbraw/zinc/75/46/09/940754609.db2.gz SOEFKQHGDBPMAK-QXAKKESOSA-N 0 1 354.454 3.834 20 5 FHBDMN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nccc(C(F)(F)F)n1)C1CC1 ZINC000414230281 940802493 /nfs/dbraw/zinc/80/24/93/940802493.db2.gz AYIDKFJKAZGXBR-CYBMUJFWSA-N 0 1 366.343 3.515 20 5 FHBDMN COc1c(O)ccc(CN[C@@H](C)c2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000892587881 940864067 /nfs/dbraw/zinc/86/40/67/940864067.db2.gz CIYMJVLSDYRJHT-ZDUSSCGKSA-N 0 1 360.410 3.947 20 5 FHBDMN C[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180399751 940998977 /nfs/dbraw/zinc/99/89/77/940998977.db2.gz HLLLTTGMNNFXIE-SNVBAGLBSA-N 0 1 351.765 3.677 20 5 FHBDMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180403714 941005509 /nfs/dbraw/zinc/00/55/09/941005509.db2.gz QUPGMCYNJOVHPQ-UONOGXRCSA-N 0 1 359.401 3.604 20 5 FHBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000180420825 941009802 /nfs/dbraw/zinc/00/98/02/941009802.db2.gz PHCXZGTWEKFBDH-ACJLOTCBSA-N 0 1 357.410 3.671 20 5 FHBDMN C[C@@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000180450832 941018163 /nfs/dbraw/zinc/01/81/63/941018163.db2.gz HJXCAQGZDUPEGA-QWHCGFSZSA-N 0 1 361.829 3.776 20 5 FHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000311251174 941151601 /nfs/dbraw/zinc/15/16/01/941151601.db2.gz JHNCHAYJEGTPDL-MRXNPFEDSA-N 0 1 373.840 3.643 20 5 FHBDMN CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172638 941584209 /nfs/dbraw/zinc/58/42/09/941584209.db2.gz NFTZJDWBOGROOH-FQEVSTJZSA-N 0 1 369.465 3.679 20 5 FHBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000237113616 941752707 /nfs/dbraw/zinc/75/27/07/941752707.db2.gz 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Cn1ccnc1[C@H](NC[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502337855 942368175 /nfs/dbraw/zinc/36/81/75/942368175.db2.gz YKQNKCBUJSBXMQ-CZUORRHYSA-N 0 1 364.396 3.833 20 5 FHBDMN COc1ccc(CN(C)CCOc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000501476253 942501724 /nfs/dbraw/zinc/50/17/24/942501724.db2.gz HSPKGUOITVXPTI-UHFFFAOYSA-N 0 1 350.802 3.768 20 5 FHBDMN Cc1ccc(CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C(C)C)s1 ZINC000434226072 942533779 /nfs/dbraw/zinc/53/37/79/942533779.db2.gz OODVTERDFNRVGB-UHFFFAOYSA-N 0 1 350.444 3.862 20 5 FHBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(Cl)cn1C ZINC000120239116 942606648 /nfs/dbraw/zinc/60/66/48/942606648.db2.gz NSZOZRRILSCXMZ-UHFFFAOYSA-N 0 1 374.828 3.916 20 5 FHBDMN CCCc1[nH]nc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434572187 942765321 /nfs/dbraw/zinc/76/53/21/942765321.db2.gz YXAJJKXMFQZOMU-FQEVSTJZSA-N 0 1 370.453 3.755 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CSc3nc(-c4ccccc4)n[nH]3)nc2c1 ZINC000434797035 942961172 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NPPJGCPUVAEZEM-SJKOYZFVSA-N 0 1 364.409 3.503 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826282982 609152476 /nfs/dbraw/zinc/15/24/76/609152476.db2.gz HORFSSYCHLWZJG-NEPJUHHUSA-N 0 1 370.388 3.634 20 5 FHBDMN CSc1ccccc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000187023771 927856666 /nfs/dbraw/zinc/85/66/66/927856666.db2.gz NFESVMLJYLWCBI-UHFFFAOYSA-N 0 1 352.437 3.734 20 5 FHBDMN CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430197941 927907856 /nfs/dbraw/zinc/90/78/56/927907856.db2.gz XCUWQTAWMXKKAU-FQEVSTJZSA-N 0 1 358.438 3.767 20 5 FHBDMN CC[C@](C)(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430197941 927907859 /nfs/dbraw/zinc/90/78/59/927907859.db2.gz XCUWQTAWMXKKAU-FQEVSTJZSA-N 0 1 358.438 3.767 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC2(CC1)OCCc1ccsc12 ZINC000430216188 928214182 /nfs/dbraw/zinc/21/41/82/928214182.db2.gz ICGSAJTUFDPPKJ-UHFFFAOYSA-N 0 1 374.462 3.729 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000430232319 928349838 /nfs/dbraw/zinc/34/98/38/928349838.db2.gz MBCKHMSVGQEDIY-WMZOPIPTSA-N 0 1 362.813 3.877 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169451 928445557 /nfs/dbraw/zinc/44/55/57/928445557.db2.gz OFWFZDIOLFBZCY-LJQANCHMSA-N 0 1 355.438 3.704 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000430247451 928520825 /nfs/dbraw/zinc/52/08/25/928520825.db2.gz ZDULDKXNVVBOOK-IBGZPJMESA-N 0 1 355.438 3.704 20 5 FHBDMN Cc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000060062794 929267842 /nfs/dbraw/zinc/26/78/42/929267842.db2.gz ILYWUERSSRHOIZ-KRWDZBQOSA-N 0 1 366.377 3.883 20 5 FHBDMN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610445999 930789565 /nfs/dbraw/zinc/78/95/65/930789565.db2.gz NJCPGUBJACJDCO-MRXNPFEDSA-N 0 1 367.449 3.640 20 5 FHBDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610446397 930816955 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3.996 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000610921664 934622508 /nfs/dbraw/zinc/62/25/08/934622508.db2.gz KFJRHILTVVGEBQ-HNNXBMFYSA-N 0 1 356.426 3.851 20 5 FHBDMN COc1ccc(OC)c([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065208959 934666960 /nfs/dbraw/zinc/66/69/60/934666960.db2.gz HAGDLQQYFBXQEL-LJQANCHMSA-N 0 1 372.421 3.828 20 5 FHBDMN COc1ccc(OC)c([C@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065208959 934666963 /nfs/dbraw/zinc/66/69/63/934666963.db2.gz HAGDLQQYFBXQEL-LJQANCHMSA-N 0 1 372.421 3.828 20 5 FHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000611273892 934923609 /nfs/dbraw/zinc/92/36/09/934923609.db2.gz IXXHUHHNDPUKKX-UHFFFAOYSA-N 0 1 352.394 3.515 20 5 FHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000611273892 934923612 /nfs/dbraw/zinc/92/36/12/934923612.db2.gz IXXHUHHNDPUKKX-UHFFFAOYSA-N 0 1 352.394 3.515 20 5 FHBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000119688202 935029715 /nfs/dbraw/zinc/02/97/15/935029715.db2.gz INNNGMDNXFDFMS-DGCLKSJQSA-N 0 1 368.368 3.628 20 5 FHBDMN Cc1ccc(Sc2ccc(C[N@@H+](C)CCC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000263416810 935205272 /nfs/dbraw/zinc/20/52/72/935205272.db2.gz NOMIQSVFLZBPEN-UHFFFAOYSA-N 0 1 360.435 3.961 20 5 FHBDMN Cc1cc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n(C)n1 ZINC000551587169 935313749 /nfs/dbraw/zinc/31/37/49/935313749.db2.gz YYHQVHPBUZSACV-UHFFFAOYSA-N 0 1 365.437 3.694 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000511084810 935345081 /nfs/dbraw/zinc/34/50/81/935345081.db2.gz GJTNOMLCRNJTSA-MRXNPFEDSA-N 0 1 359.451 3.532 20 5 FHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1 ZINC000158275719 935485158 /nfs/dbraw/zinc/48/51/58/935485158.db2.gz YDYWHKJAAMEIMW-UHFFFAOYSA-N 0 1 369.421 3.827 20 5 FHBDMN COc1cc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000540708136 935536882 /nfs/dbraw/zinc/53/68/82/935536882.db2.gz HSNUTQYRZOPURC-LBPRGKRZSA-N 0 1 374.393 3.587 20 5 FHBDMN CC(C)CN1Cc2cccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c2C1 ZINC000158262467 935665413 /nfs/dbraw/zinc/66/54/13/935665413.db2.gz RQYZPQWRWOUPKK-UHFFFAOYSA-N 0 1 368.437 3.617 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158284006 935683007 /nfs/dbraw/zinc/68/30/07/935683007.db2.gz GEKKPIAHXNFNCT-UHFFFAOYSA-N 0 1 369.421 3.827 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000507290359 945119530 /nfs/dbraw/zinc/11/95/30/945119530.db2.gz IZNGJUQXSRXALJ-KRWDZBQOSA-N 0 1 362.332 3.946 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049105 935792968 /nfs/dbraw/zinc/79/29/68/935792968.db2.gz KRDGEFOYJGQSLF-UONOGXRCSA-N 0 1 362.451 3.719 20 5 FHBDMN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507313756 945126218 /nfs/dbraw/zinc/12/62/18/945126218.db2.gz NFDZCMQJNASFBP-LJQANCHMSA-N 0 1 366.348 3.959 20 5 FHBDMN Cn1c(CNC/C=C/c2ccccc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000479411297 935837024 /nfs/dbraw/zinc/83/70/24/935837024.db2.gz ABKYZZZBVMOLAX-FNORWQNLSA-N 0 1 356.813 3.938 20 5 FHBDMN CC[C@H](N[C@H](C)C(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000479537792 935855446 /nfs/dbraw/zinc/85/54/46/935855446.db2.gz OUWCMYOSQQXNKQ-KUHUBIRLSA-N 0 1 353.422 3.566 20 5 FHBDMN Cc1ccc(Sc2ccc(C(=O)NCc3cnc[nH]3)cc2[N+](=O)[O-])cc1 ZINC000479607080 935868586 /nfs/dbraw/zinc/86/85/86/935868586.db2.gz RHRRNPAMSARPMC-UHFFFAOYSA-N 0 1 368.418 3.708 20 5 FHBDMN Cc1ccc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000479882386 935911058 /nfs/dbraw/zinc/91/10/58/935911058.db2.gz DYPLXWXHASFAEG-QGZVFWFLSA-N 0 1 350.378 3.757 20 5 FHBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000611774754 936043669 /nfs/dbraw/zinc/04/36/69/936043669.db2.gz UUBCEFBWWIULDE-HZPDHXFCSA-N 0 1 357.841 3.816 20 5 FHBDMN Cc1cc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611928073 936092541 /nfs/dbraw/zinc/09/25/41/936092541.db2.gz HNEQBJIAJVCZBN-ZUZCIYMTSA-N 0 1 355.316 3.607 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000178681440 936172836 /nfs/dbraw/zinc/17/28/36/936172836.db2.gz GEQBBSYOFFWYGU-GJZGRUSLSA-N 0 1 353.422 3.532 20 5 FHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000121948551 936180683 /nfs/dbraw/zinc/18/06/83/936180683.db2.gz IUCJKGIYUJHPGS-UHFFFAOYSA-N 0 1 365.169 3.842 20 5 FHBDMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000178686365 936202971 /nfs/dbraw/zinc/20/29/71/936202971.db2.gz YBSUIJIPAFOAKS-QWHCGFSZSA-N 0 1 357.410 3.974 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691451 936208189 /nfs/dbraw/zinc/20/81/89/936208189.db2.gz LDBIDPFYFIUSSX-VXGBXAGGSA-N 0 1 363.364 3.859 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000178691617 936208808 /nfs/dbraw/zinc/20/88/08/936208808.db2.gz CFHALJNWSZTMMQ-NWDGAFQWSA-N 0 1 363.364 3.859 20 5 FHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000583871560 938462010 /nfs/dbraw/zinc/46/20/10/938462010.db2.gz ORFPLWOYGPXWNF-GFCCVEGCSA-N 0 1 369.219 3.762 20 5 FHBDMN CC(C)N1CCC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278712982 938678615 /nfs/dbraw/zinc/67/86/15/938678615.db2.gz QXZPEBLBGGTLSS-HNNXBMFYSA-N 0 1 363.461 3.696 20 5 FHBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000543871229 945210923 /nfs/dbraw/zinc/21/09/23/945210923.db2.gz YATBUYBOQXBNHD-KRWDZBQOSA-N 0 1 373.409 3.614 20 5 FHBDMN Cc1cc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000093930668 938932098 /nfs/dbraw/zinc/93/20/98/938932098.db2.gz UYWZYLHVSHAITL-UHFFFAOYSA-N 0 1 362.407 3.543 20 5 FHBDMN Cc1ccc(C)c([C@H](C)N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000480597377 938999464 /nfs/dbraw/zinc/99/94/64/938999464.db2.gz ISZOWCODNZRMJF-ZDUSSCGKSA-N 0 1 352.394 3.921 20 5 FHBDMN COc1ccc(-c2ccc(CNCc3ccc(OC)nc3)o2)c([N+](=O)[O-])c1 ZINC000102420896 939018542 /nfs/dbraw/zinc/01/85/42/939018542.db2.gz HUTZCFUTFLGRBX-UHFFFAOYSA-N 0 1 369.377 3.557 20 5 FHBDMN CC(C)(C)OC(=O)NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255635933 939019461 /nfs/dbraw/zinc/01/94/61/939019461.db2.gz AKNAAIKLORLSEL-VURMDHGXSA-N 0 1 361.442 3.597 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000188446457 939877592 /nfs/dbraw/zinc/87/75/92/939877592.db2.gz YBLYPACBRYPSKA-MRXNPFEDSA-N 0 1 367.409 3.729 20 5 FHBDMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179736336 939927868 /nfs/dbraw/zinc/92/78/68/939927868.db2.gz VWQFDDDUHVUOTA-OAHLLOKOSA-N 0 1 357.410 3.673 20 5 FHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179745161 939930173 /nfs/dbraw/zinc/93/01/73/939930173.db2.gz ZOXPCQHAGJCWNJ-SFHVURJKSA-N 0 1 371.437 3.697 20 5 FHBDMN COc1ccc([C@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C2CC2)cc1 ZINC000892478883 939936588 /nfs/dbraw/zinc/93/65/88/939936588.db2.gz RPGQZTCRIJMJIK-QGZVFWFLSA-N 0 1 358.394 3.559 20 5 FHBDMN COc1ccc([C@@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C2CC2)cc1 ZINC000892478881 939936783 /nfs/dbraw/zinc/93/67/83/939936783.db2.gz RPGQZTCRIJMJIK-KRWDZBQOSA-N 0 1 358.394 3.559 20 5 FHBDMN Cc1[nH]ncc1C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375965642 940115050 /nfs/dbraw/zinc/11/50/50/940115050.db2.gz SCSAWNUGJPZDQC-ZDUSSCGKSA-N 0 1 374.466 3.513 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCSC4(CCC4)CC3)o2)cc1 ZINC000411869353 940148331 /nfs/dbraw/zinc/14/83/31/940148331.db2.gz MPARMZFYOWSWBH-UHFFFAOYSA-N 0 1 360.439 3.506 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCSC4(CCC4)CC3)n2)c1 ZINC000411870523 940148362 /nfs/dbraw/zinc/14/83/62/940148362.db2.gz PAIQDCDLFAWEBD-UHFFFAOYSA-N 0 1 360.439 3.506 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000612580228 940160367 /nfs/dbraw/zinc/16/03/67/940160367.db2.gz AEUDJVMUGDTGNL-KRWDZBQOSA-N 0 1 368.355 3.919 20 5 FHBDMN Cc1cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580650800 940481341 /nfs/dbraw/zinc/48/13/41/940481341.db2.gz ZKUDUZCUIKQDJX-HOCLYGCPSA-N 0 1 369.421 3.849 20 5 FHBDMN COc1ccc2c(c1)C1(CC1)CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000581040817 940493821 /nfs/dbraw/zinc/49/38/21/940493821.db2.gz SKLUOMAJHQZLDF-UHFFFAOYSA-N 0 1 354.406 3.530 20 5 FHBDMN CC(C)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000582394083 940668868 /nfs/dbraw/zinc/66/88/68/940668868.db2.gz SBEKNYCYTSANME-UHFFFAOYSA-N 0 1 355.243 3.615 20 5 FHBDMN Cn1ccnc1[C@H](NC[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582664605 940793939 /nfs/dbraw/zinc/79/39/39/940793939.db2.gz JRKCSHJARGGAAH-YXGQEBDGSA-N 0 1 354.454 3.834 20 5 FHBDMN NC(=O)c1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000180280970 940907125 /nfs/dbraw/zinc/90/71/25/940907125.db2.gz CNXOQRBTFOBIBB-IBGZPJMESA-N 0 1 371.412 3.854 20 5 FHBDMN CCCOCc1ccccc1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892613695 940971589 /nfs/dbraw/zinc/97/15/89/940971589.db2.gz XROVNGMCTHQLPT-UHFFFAOYSA-N 0 1 360.410 3.525 20 5 FHBDMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc12 ZINC000180334637 940978474 /nfs/dbraw/zinc/97/84/74/940978474.db2.gz OTMXFCQTEAWVFJ-UHFFFAOYSA-N 0 1 369.337 3.557 20 5 FHBDMN C[C@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420389 941009835 /nfs/dbraw/zinc/00/98/35/941009835.db2.gz CLKLMPCIVQKJIA-MGPUTAFESA-N 0 1 367.449 3.781 20 5 FHBDMN CCN(C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000180446814 941017825 /nfs/dbraw/zinc/01/78/25/941017825.db2.gz OWIGCYAXZYAWJL-HUUCEWRRSA-N 0 1 373.428 3.994 20 5 FHBDMN COC(=O)COc1ccc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000467185634 941023184 /nfs/dbraw/zinc/02/31/84/941023184.db2.gz GOKYQHFJUFIUPV-UONOGXRCSA-N 0 1 358.394 3.558 20 5 FHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000092195271 941148863 /nfs/dbraw/zinc/14/88/63/941148863.db2.gz VVCYYZAMFUVWTG-UHFFFAOYSA-N 0 1 356.422 3.524 20 5 FHBDMN CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000414652783 941425729 /nfs/dbraw/zinc/42/57/29/941425729.db2.gz HHNKTSIVHXSHAS-HXUWFJFHSA-N 0 1 369.421 3.659 20 5 FHBDMN C[C@H](c1ccccc1)[C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000181533960 941528517 /nfs/dbraw/zinc/52/85/17/941528517.db2.gz MDZZOFWRJBZBAH-KBPBESRZSA-N 0 1 352.394 3.927 20 5 FHBDMN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)c1ccccc1 ZINC000181533903 941528584 /nfs/dbraw/zinc/52/85/84/941528584.db2.gz MDZZOFWRJBZBAH-ZIAGYGMSSA-N 0 1 352.394 3.927 20 5 FHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000136157064 941567172 /nfs/dbraw/zinc/56/71/72/941567172.db2.gz HGXXHQMGKCZYDG-OAHLLOKOSA-N 0 1 359.184 3.864 20 5 FHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182344440 941805959 /nfs/dbraw/zinc/80/59/59/941805959.db2.gz GAEJZSLRCQIYKO-AWEZNQCLSA-N 0 1 357.410 3.591 20 5 FHBDMN COCc1ccccc1C=C(C)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000513273176 941824947 /nfs/dbraw/zinc/82/49/47/941824947.db2.gz VDKCSTVASRHLKW-NTEUORMPSA-N 0 1 366.421 3.811 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000433677710 941830081 /nfs/dbraw/zinc/83/00/81/941830081.db2.gz BPCURRAVOCWAES-VIFPVBQESA-N 0 1 352.341 3.553 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000433691866 941843036 /nfs/dbraw/zinc/84/30/36/941843036.db2.gz WTNUVEUIOQGGKC-UHFFFAOYSA-N 0 1 352.394 3.867 20 5 FHBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000433743058 941861082 /nfs/dbraw/zinc/86/10/82/941861082.db2.gz VAHCGAKHMADJGT-CYBMUJFWSA-N 0 1 374.441 3.543 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000377667420 941883338 /nfs/dbraw/zinc/88/33/38/941883338.db2.gz JUMWBTNEGZAEQO-FQEVSTJZSA-N 0 1 368.433 3.787 20 5 FHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640422 941957253 /nfs/dbraw/zinc/95/72/53/941957253.db2.gz QCMJITRHRYXIFL-SUMWQHHRSA-N 0 1 365.389 3.797 20 5 FHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182646374 941958141 /nfs/dbraw/zinc/95/81/41/941958141.db2.gz YGAVVRJCTDEORN-CYBMUJFWSA-N 0 1 353.378 3.655 20 5 FHBDMN Cc1cc(Br)c(O)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000182913254 941986012 /nfs/dbraw/zinc/98/60/12/941986012.db2.gz BHBATBVEPHECLI-UHFFFAOYSA-N 0 1 365.183 3.932 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000434033771 942047904 /nfs/dbraw/zinc/04/79/04/942047904.db2.gz YDMPVDGFKIELSM-DZGCQCFKSA-N 0 1 356.426 3.535 20 5 FHBDMN C[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181581635 942341979 /nfs/dbraw/zinc/34/19/79/942341979.db2.gz SHISUKSRBWOGEL-WDEREUQCSA-N 0 1 363.801 3.632 20 5 FHBDMN C[C@@H](N[C@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181581651 942342003 /nfs/dbraw/zinc/34/20/03/942342003.db2.gz SHISUKSRBWOGEL-GHMZBOCLSA-N 0 1 363.801 3.632 20 5 FHBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000502444363 942455749 /nfs/dbraw/zinc/45/57/49/942455749.db2.gz PJXWRNADMXGPML-UHFFFAOYSA-N 0 1 366.377 3.756 20 5 FHBDMN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)c2c1 ZINC000413217107 942490948 /nfs/dbraw/zinc/49/09/48/942490948.db2.gz XIQGIYDNFVCSFI-CQSZACIVSA-N 0 1 364.409 3.523 20 5 FHBDMN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c2c1 ZINC000413217107 942490952 /nfs/dbraw/zinc/49/09/52/942490952.db2.gz XIQGIYDNFVCSFI-CQSZACIVSA-N 0 1 364.409 3.523 20 5 FHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)o1 ZINC000434507567 942714836 /nfs/dbraw/zinc/71/48/36/942714836.db2.gz ZUFFJENCWRKARV-UHFFFAOYSA-N 0 1 372.406 3.926 20 5 FHBDMN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081510 942733550 /nfs/dbraw/zinc/73/35/50/942733550.db2.gz CCXVPQFSYSITSA-DNVCBOLYSA-N 0 1 350.422 3.811 20 5 FHBDMN C[C@H](N[C@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466758 942796666 /nfs/dbraw/zinc/79/66/66/942796666.db2.gz MMILVWBCOUHMFW-LIRRHRJNSA-N 0 1 368.437 3.838 20 5 FHBDMN C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000421921137 942891466 /nfs/dbraw/zinc/89/14/66/942891466.db2.gz OBKIJTAOHMHQBM-LJQANCHMSA-N 0 1 358.369 3.677 20 5 FHBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000503106125 942977685 /nfs/dbraw/zinc/97/76/85/942977685.db2.gz AZCJUABLCNIMSH-UHFFFAOYSA-N 0 1 356.256 3.580 20 5 FHBDMN Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000027603261 942979173 /nfs/dbraw/zinc/97/91/73/942979173.db2.gz GGUMYGOEYTWHBX-MRXNPFEDSA-N 0 1 359.451 3.532 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434891419 943022332 /nfs/dbraw/zinc/02/23/32/943022332.db2.gz HRZYOCSGFYNSJP-MAUKXSAKSA-N 0 1 353.422 3.720 20 5 FHBDMN CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000414672726 943200106 /nfs/dbraw/zinc/20/01/06/943200106.db2.gz CKHUYWAUYAWILO-INIZCTEOSA-N 0 1 369.421 3.659 20 5 FHBDMN COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C(=O)[O-])CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000422632701 943214405 /nfs/dbraw/zinc/21/44/05/943214405.db2.gz HNRKRHBJZBCSMU-OLZOCXBDSA-N 0 1 374.393 3.549 20 5 FHBDMN COc1ccc(-c2ccc(C[N@H+]3C[C@H](C(=O)[O-])CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000422632702 943214521 /nfs/dbraw/zinc/21/45/21/943214521.db2.gz HNRKRHBJZBCSMU-QWHCGFSZSA-N 0 1 374.393 3.549 20 5 FHBDMN COc1ccc(-c2ccc(CN3CC(CC(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000425363900 943370767 /nfs/dbraw/zinc/37/07/67/943370767.db2.gz DHCZWJZQKNWXAI-UHFFFAOYSA-N 0 1 352.337 3.950 20 5 FHBDMN COc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)c1 ZINC000053232653 943417422 /nfs/dbraw/zinc/41/74/22/943417422.db2.gz ZOGJZUDEWYEEHJ-HXUWFJFHSA-N 0 1 356.422 3.785 20 5 FHBDMN Cn1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(C(F)(F)F)n1 ZINC000417313513 943508514 /nfs/dbraw/zinc/50/85/14/943508514.db2.gz WIARAJXXARJYJV-OAHLLOKOSA-N 0 1 368.359 3.904 20 5 FHBDMN CC(=O)Nc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417331039 943520804 /nfs/dbraw/zinc/52/08/04/943520804.db2.gz LMWYOALIIHILFG-GOSISDBHSA-N 0 1 354.410 3.506 20 5 FHBDMN COCCOc1ncccc1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332742 943520809 /nfs/dbraw/zinc/52/08/09/943520809.db2.gz XRNFELRRLCJEEH-IBGZPJMESA-N 0 1 371.437 3.572 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000566518864 943931194 /nfs/dbraw/zinc/93/11/94/943931194.db2.gz CJPHKKWKQSKRIA-UHFFFAOYSA-N 0 1 373.453 3.707 20 5 FHBDMN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505751863 943999023 /nfs/dbraw/zinc/99/90/23/943999023.db2.gz AFIZXWCZERLRSD-LJQANCHMSA-N 0 1 366.348 3.959 20 5 FHBDMN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000500058848 944028885 /nfs/dbraw/zinc/02/88/85/944028885.db2.gz WTACEMISHBKJFQ-HZPDHXFCSA-N 0 1 374.441 3.527 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000506118030 944069271 /nfs/dbraw/zinc/06/92/71/944069271.db2.gz KUDAUSNCNAHYCP-AWEZNQCLSA-N 0 1 360.797 3.801 20 5 FHBDMN CC[C@@H](C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000505799446 944226017 /nfs/dbraw/zinc/22/60/17/944226017.db2.gz QOPBIVHUTIZPAP-DIFFPNOSSA-N 0 1 368.393 3.694 20 5 FHBDMN Cc1cccc2nc(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])[nH]c21 ZINC000436401117 944278861 /nfs/dbraw/zinc/27/88/61/944278861.db2.gz NPKLQMYTOXSJEB-UHFFFAOYSA-N 0 1 351.288 3.805 20 5 FHBDMN CSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000500235701 944316095 /nfs/dbraw/zinc/31/60/95/944316095.db2.gz DCYNIOLQTHCRMI-QWHCGFSZSA-N 0 1 359.451 3.995 20 5 FHBDMN COc1cc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000425554374 944326202 /nfs/dbraw/zinc/32/62/02/944326202.db2.gz ONTNGBZNYUROAD-SFHVURJKSA-N 0 1 364.417 3.524 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000123686817 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FHBDMN COc1ccc(COCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000610864862 934540139 /nfs/dbraw/zinc/54/01/39/934540139.db2.gz IKUINIVSDVEBQB-UHFFFAOYSA-N 0 1 356.422 3.785 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000610923949 934627713 /nfs/dbraw/zinc/62/77/13/934627713.db2.gz WIJTXDGQPUWNRP-CQSZACIVSA-N 0 1 360.389 3.948 20 5 FHBDMN Cc1c(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000561903867 934809741 /nfs/dbraw/zinc/80/97/41/934809741.db2.gz BQPOXENZHCWCCU-DOTOQJQBSA-N 0 1 358.463 3.904 20 5 FHBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000119688344 935029734 /nfs/dbraw/zinc/02/97/34/935029734.db2.gz INNNGMDNXFDFMS-WCQYABFASA-N 0 1 368.368 3.628 20 5 FHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(CC(F)(F)F)s1 ZINC000894391252 945071131 /nfs/dbraw/zinc/07/11/31/945071131.db2.gz OHSKYJLILIXGCM-UHFFFAOYSA-N 0 1 359.373 3.831 20 5 FHBDMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000539224193 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COc1cc(CN2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000511844852 945261484 /nfs/dbraw/zinc/26/14/84/945261484.db2.gz TVUGWBPCKSFLNP-DGCLKSJQSA-N 0 1 356.369 3.969 20 5 FHBDMN COc1cc(CN2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000511844853 945261719 /nfs/dbraw/zinc/26/17/19/945261719.db2.gz TVUGWBPCKSFLNP-WCQYABFASA-N 0 1 356.369 3.969 20 5 FHBDMN O=C1O[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1c1ccccc1 ZINC000179520535 939881141 /nfs/dbraw/zinc/88/11/41/939881141.db2.gz UXGDNDQMTSEDAV-LJQANCHMSA-N 0 1 367.405 3.585 20 5 FHBDMN Cc1ccc(Sc2ccc(CN(C)Cc3nnc[nH]3)cc2[N+](=O)[O-])cc1 ZINC000179792421 939935199 /nfs/dbraw/zinc/93/51/99/939935199.db2.gz WUMQPBIZCFTSBF-UHFFFAOYSA-N 0 1 369.450 3.805 20 5 FHBDMN C[C@H](NCC(=O)N1CCC[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000364730800 939990733 /nfs/dbraw/zinc/99/07/33/939990733.db2.gz RHKBWBOEJWTZDM-XJKSGUPXSA-N 0 1 359.451 3.671 20 5 FHBDMN Cc1[nH]ncc1C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375965641 940115124 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20 5 FHBDMN Cc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096473 941145435 /nfs/dbraw/zinc/14/54/35/941145435.db2.gz VUYCADGAXOBFBQ-APWZRJJASA-N 0 1 367.449 3.663 20 5 FHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1(c2ccccc2)CC1 ZINC000189287027 941155356 /nfs/dbraw/zinc/15/53/56/941155356.db2.gz JQDQCXLKCMJQKT-HNNXBMFYSA-N 0 1 353.422 3.585 20 5 FHBDMN CCS[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189498414 941159278 /nfs/dbraw/zinc/15/92/78/941159278.db2.gz JBPWMNNWNXGYRK-LSDHHAIUSA-N 0 1 362.455 3.799 20 5 FHBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(-n2cc(Cl)cn2)n1 ZINC000189898848 941296884 /nfs/dbraw/zinc/29/68/84/941296884.db2.gz NWWLONGJFOQLGJ-ZDUSSCGKSA-N 0 1 371.828 3.988 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3cccc(-c4cccnc4)c3)nc2c1 ZINC000377260988 941600677 /nfs/dbraw/zinc/60/06/77/941600677.db2.gz GMDFEFGPZWNHFC-UHFFFAOYSA-N 0 1 359.389 3.823 20 5 FHBDMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513227388 941798669 /nfs/dbraw/zinc/79/86/69/941798669.db2.gz BYBSRTRTCGJIOF-BEFAXECRSA-N 0 1 353.422 3.641 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000433695065 941844798 /nfs/dbraw/zinc/84/47/98/941844798.db2.gz SUWFIQFEXGXNHL-JTQLQIEISA-N 0 1 350.806 3.928 20 5 FHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2o1 ZINC000182627006 941940389 /nfs/dbraw/zinc/94/03/89/941940389.db2.gz GRUNRDQOLPZCQF-CYBMUJFWSA-N 0 1 365.389 3.581 20 5 FHBDMN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433937350 942010911 /nfs/dbraw/zinc/01/09/11/942010911.db2.gz SRNWJWMDUHWNQC-OAHLLOKOSA-N 0 1 358.442 3.925 20 5 FHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000728726221 942095639 /nfs/dbraw/zinc/09/56/39/942095639.db2.gz UYECRLKHNOEJQH-UHFFFAOYSA-N 0 1 367.361 3.529 20 5 FHBDMN COc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051181756 942209071 /nfs/dbraw/zinc/20/90/71/942209071.db2.gz IHFASTDOXMKTKB-UHFFFAOYSA-N 0 1 356.422 3.785 20 5 FHBDMN CC[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CC)O1 ZINC000420950075 942271677 /nfs/dbraw/zinc/27/16/77/942271677.db2.gz FZYPQPPBGZONMT-CALCHBBNSA-N 0 1 359.426 3.682 20 5 FHBDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000513737178 942308435 /nfs/dbraw/zinc/30/84/35/942308435.db2.gz WJTMKRIAEZXTFR-UHFFFAOYSA-N 0 1 367.203 3.630 20 5 FHBDMN CC(C)(C)C1=CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000501140481 942326400 /nfs/dbraw/zinc/32/64/00/942326400.db2.gz QHYDNHZEZBEKKO-UHFFFAOYSA-N 0 1 373.497 3.667 20 5 FHBDMN Cc1ccc(CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000431860648 942597055 /nfs/dbraw/zinc/59/70/55/942597055.db2.gz WIWLHYQORONVRE-UHFFFAOYSA-N 0 1 371.422 3.711 20 5 FHBDMN Cc1cc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)ccc1[N+](=O)[O-] ZINC000425082187 942675381 /nfs/dbraw/zinc/67/53/81/942675381.db2.gz OIRKTEVJMFYMJU-UHFFFAOYSA-N 0 1 374.466 3.769 20 5 FHBDMN COCc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507412 942836247 /nfs/dbraw/zinc/83/62/47/942836247.db2.gz UWVNTSLXVBOBFB-JKSUJKDBSA-N 0 1 370.453 3.780 20 5 FHBDMN Cn1ccnc1[C@@H](NCC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503054011 942952388 /nfs/dbraw/zinc/95/23/88/942952388.db2.gz WQBZTGOZVYGSKR-INIZCTEOSA-N 0 1 364.396 3.833 20 5 FHBDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000434792979 942970845 /nfs/dbraw/zinc/97/08/45/942970845.db2.gz GNJFRRJAVMMPRI-OALUTQOASA-N 0 1 354.406 3.516 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000422061543 942970927 /nfs/dbraw/zinc/97/09/27/942970927.db2.gz FNBREOZBWXIYJD-AWEZNQCLSA-N 0 1 356.426 3.850 20 5 FHBDMN CC(=O)c1cc(NC2CCN([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425230770 943025930 /nfs/dbraw/zinc/02/59/30/943025930.db2.gz DBCHURGZUMGSEM-CQSZACIVSA-N 0 1 368.437 3.830 20 5 FHBDMN C[C@H]1C[C@]1(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380226 943156301 /nfs/dbraw/zinc/15/63/01/943156301.db2.gz VUJKMJLYFHCPLX-KPZWWZAWSA-N 0 1 359.813 3.712 20 5 FHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503380814 943157510 /nfs/dbraw/zinc/15/75/10/943157510.db2.gz WJBFINNJOUQVBT-CQSZACIVSA-N 0 1 358.417 3.646 20 5 FHBDMN COc1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000053221430 943382331 /nfs/dbraw/zinc/38/23/31/943382331.db2.gz OBCXHWRKWYIPLZ-HXUWFJFHSA-N 0 1 356.422 3.785 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000514945303 943397120 /nfs/dbraw/zinc/39/71/20/943397120.db2.gz URJSRGCXDWXLGF-GOSISDBHSA-N 0 1 372.421 3.510 20 5 FHBDMN C[C@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947462 943430851 /nfs/dbraw/zinc/43/08/51/943430851.db2.gz LUIDOJWFUXOCFM-JXFKEZNVSA-N 0 1 363.417 3.849 20 5 FHBDMN COc1cc(CNc2ncccc2-c2ccccc2)cc([N+](=O)[O-])c1O ZINC000162389558 943515500 /nfs/dbraw/zinc/51/55/00/943515500.db2.gz AERBPDUKMYYEHK-UHFFFAOYSA-N 0 1 351.362 3.983 20 5 FHBDMN COc1ccc(-c2n[nH]c(SCc3c(F)cccc3[N+](=O)[O-])n2)cc1 ZINC000504535780 943651421 /nfs/dbraw/zinc/65/14/21/943651421.db2.gz GNXIVSIVUBTANR-UHFFFAOYSA-N 0 1 360.370 3.820 20 5 FHBDMN Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccn3)cc2)ccc1[N+](=O)[O-] ZINC000584872886 943838889 /nfs/dbraw/zinc/83/88/89/943838889.db2.gz ZWJUTDNOYSZKOT-UHFFFAOYSA-N 0 1 369.402 3.766 20 5 FHBDMN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505742689 943927495 /nfs/dbraw/zinc/92/74/95/943927495.db2.gz VQSAGKUTIWHSRD-GOSISDBHSA-N 0 1 356.378 3.676 20 5 FHBDMN Cc1ccc(C=Cc2n[nH]c(SCCOc3ccccc3[N+](=O)[O-])n2)o1 ZINC000515567721 944002024 /nfs/dbraw/zinc/00/20/24/944002024.db2.gz ZCDCITXWSWTAGH-HJWRWDBZSA-N 0 1 372.406 3.956 20 5 FHBDMN O=C([O-])[C@@H](CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000515660294 944104220 /nfs/dbraw/zinc/10/42/20/944104220.db2.gz VDDYHBPLRQSLRQ-SFHVURJKSA-N 0 1 354.406 3.818 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1Cc1ccccc1 ZINC000500109137 944114319 /nfs/dbraw/zinc/11/43/19/944114319.db2.gz IBIFGKDPMFUBEJ-HNNXBMFYSA-N 0 1 364.405 3.709 20 5 FHBDMN CN(C)Cc1cc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])ccc1F ZINC000436402973 944280843 /nfs/dbraw/zinc/28/08/43/944280843.db2.gz DMHMCZDXMAMXGF-UHFFFAOYSA-N 0 1 372.322 3.821 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCC2)c2c1cccc2F ZINC000506171686 944309079 /nfs/dbraw/zinc/30/90/79/944309079.db2.gz HMHGEZAXRDOKAX-UHFFFAOYSA-N 0 1 356.353 3.912 20 5 FHBDMN O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506175309 944329589 /nfs/dbraw/zinc/32/95/89/944329589.db2.gz HGHYETIVJJGHFO-UHFFFAOYSA-N 0 1 352.350 3.697 20 5 FHBDMN COc1cc(C[N@@H+](CCc2nccs2)C(C)C)c([N+](=O)[O-])cc1F ZINC000184270464 944373127 /nfs/dbraw/zinc/37/31/27/944373127.db2.gz FPJUFNWJJYALIH-UHFFFAOYSA-N 0 1 353.419 3.652 20 5 FHBDMN COc1cc(CN(CCc2nccs2)C(C)C)c([N+](=O)[O-])cc1F ZINC000184270464 944373131 /nfs/dbraw/zinc/37/31/31/944373131.db2.gz FPJUFNWJJYALIH-UHFFFAOYSA-N 0 1 353.419 3.652 20 5 FHBDMN CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1OC ZINC000506191727 944430883 /nfs/dbraw/zinc/43/08/83/944430883.db2.gz NRJFFARIDCBION-CYBMUJFWSA-N 0 1 358.394 3.922 20 5 FHBDMN CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000506201890 944470958 /nfs/dbraw/zinc/47/09/58/944470958.db2.gz FNJRFSIOQOWJGN-UHFFFAOYSA-N 0 1 356.300 3.831 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(F)cc1F ZINC000025071186 944545437 /nfs/dbraw/zinc/54/54/37/944545437.db2.gz HXNPFHLIRMPYAO-UHFFFAOYSA-N 0 1 363.364 3.642 20 5 FHBDMN CCN(CCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000505868210 944549827 /nfs/dbraw/zinc/54/98/27/944549827.db2.gz LFFIRRSCAIEUFX-UHFFFAOYSA-N 0 1 350.802 3.855 20 5 FHBDMN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)c(Cl)cc1Cl ZINC000181642302 944573980 /nfs/dbraw/zinc/57/39/80/944573980.db2.gz AENQKDASZKFHDS-VIFPVBQESA-N 0 1 374.199 3.553 20 5 FHBDMN Cc1c(NC(=O)c2ccc(Br)cc2O)cccc1[N+](=O)[O-] ZINC000436752717 944594168 /nfs/dbraw/zinc/59/41/68/944594168.db2.gz ARRDVEVSZFQTTQ-UHFFFAOYSA-N 0 1 351.156 3.624 20 5 FHBDMN COc1cc(CN(C)CCCOCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000439467409 944645264 /nfs/dbraw/zinc/64/52/64/944645264.db2.gz IWHOGPKMDGIIIS-UHFFFAOYSA-N 0 1 362.401 3.781 20 5 FHBDMN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485022 944667958 /nfs/dbraw/zinc/66/79/58/944667958.db2.gz CKSOVYSFEMKRKB-QWHCGFSZSA-N 0 1 374.466 3.777 20 5 FHBDMN CN(CCCOCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439483972 944686315 /nfs/dbraw/zinc/68/63/15/944686315.db2.gz BNISPBGNWGZJBH-UHFFFAOYSA-N 0 1 354.410 3.510 20 5 FHBDMN C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000506942382 944763476 /nfs/dbraw/zinc/76/34/76/944763476.db2.gz INPDQSBCMWGYBE-MOFZMDFASA-N 0 1 373.840 3.871 20 5 FHBDMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2C1 ZINC000436889017 944764009 /nfs/dbraw/zinc/76/40/09/944764009.db2.gz WZYRPGFWPFAFMB-UHFFFAOYSA-N 0 1 355.394 3.524 20 5 FHBDMN CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000511730097 944976252 /nfs/dbraw/zinc/97/62/52/944976252.db2.gz PDJQRIDTDMCFGX-LBPRGKRZSA-N 0 1 350.396 3.573 20 5 FHBDMN O=[N+]([O-])c1cc(F)c(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(F)c1 ZINC000511754838 945024111 /nfs/dbraw/zinc/02/41/11/945024111.db2.gz JMEAFVSQKQVWJK-OXFYSEKESA-N 0 1 374.387 3.878 20 5 FHBDMN O=C(Nc1cccc(Oc2ccccn2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506705192 945047306 /nfs/dbraw/zinc/04/73/06/945047306.db2.gz PVZDZPUCNJEZLD-UHFFFAOYSA-N 0 1 351.318 3.740 20 5 FHBDMN CC(=O)N1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC12CCCCC2 ZINC000408144127 945425926 /nfs/dbraw/zinc/42/59/26/945425926.db2.gz GVZMOUWJBDUDGW-INIZCTEOSA-N 0 1 359.470 3.831 20 5 FHBDMN COc1ccc(C2(NCc3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1F ZINC000444011157 945721400 /nfs/dbraw/zinc/72/14/00/945721400.db2.gz PFLHDYRDVZRKGY-UHFFFAOYSA-N 0 1 374.412 3.846 20 5 FHBDMN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045297207 946005924 /nfs/dbraw/zinc/00/59/24/946005924.db2.gz KSZSCEOAVCXFKB-UHFFFAOYSA-N 0 1 368.437 3.760 20 5 FHBDMN COc1cccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]n2)c1 ZINC000151769481 946121789 /nfs/dbraw/zinc/12/17/89/946121789.db2.gz PVOGBVKSERZGEC-UHFFFAOYSA-N 0 1 352.350 3.554 20 5 FHBDMN O=C(Nc1nc(-c2ccsc2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000109111981 946150498 /nfs/dbraw/zinc/15/04/98/946150498.db2.gz ZFVDVLWVUYGGAE-UHFFFAOYSA-N 0 1 350.356 3.566 20 5 FHBDMN COc1c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000475474016 946351869 /nfs/dbraw/zinc/35/18/69/946351869.db2.gz ZCOAAMRCXYGMNX-UHFFFAOYSA-N 0 1 366.377 4.000 20 5 FHBDMN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000475544917 946628661 /nfs/dbraw/zinc/62/86/61/946628661.db2.gz WVIKEPPRPMBOTR-INIZCTEOSA-N 0 1 373.840 3.595 20 5 FHBDMN C[C@@H]1OCC[C@@]12CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000475289421 946827604 /nfs/dbraw/zinc/82/76/04/946827604.db2.gz AHKCWLUQTIXERJ-IFXJQAMLSA-N 0 1 374.462 3.703 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000074808351 947022191 /nfs/dbraw/zinc/02/21/91/947022191.db2.gz WLCKZBSDDJILPN-GOSISDBHSA-N 0 1 367.449 3.640 20 5 FHBDMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649436 947070218 /nfs/dbraw/zinc/07/02/18/947070218.db2.gz JLRMIIOHTFVTFX-GDBMZVCRSA-N 0 1 350.422 3.924 20 5 FHBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1-n1cccn1 ZINC000444687943 947089200 /nfs/dbraw/zinc/08/92/00/947089200.db2.gz HWEFKFWHBYKSMS-CYBMUJFWSA-N 0 1 362.393 3.508 20 5 FHBDMN CCS[C@H]1CC[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072838450 947570670 /nfs/dbraw/zinc/57/06/70/947570670.db2.gz LSBYVGKCKREIAS-GJZGRUSLSA-N 0 1 362.455 3.751 20 5 FHBDMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000441497665 948085242 /nfs/dbraw/zinc/08/52/42/948085242.db2.gz CQBWXZMIMMASKE-AWEZNQCLSA-N 0 1 371.437 3.760 20 5 FHBDMN Cc1ccc(-c2n[nH]c(SC[C@@H](O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000136841324 948206815 /nfs/dbraw/zinc/20/68/15/948206815.db2.gz LOMXSPRZHAMQCH-OAHLLOKOSA-N 0 1 356.407 3.514 20 5 FHBDMN COc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000574854959 948634080 /nfs/dbraw/zinc/63/40/80/948634080.db2.gz FYDUTTBXXQFIJC-LESCRADOSA-N 0 1 366.433 3.648 20 5 FHBDMN COc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCCC2)cc1 ZINC000432504456 948639596 /nfs/dbraw/zinc/63/95/96/948639596.db2.gz ZHPCMZGXNMRSBR-UHFFFAOYSA-N 0 1 356.378 3.508 20 5 FHBDMN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2nc[nH]c2c1 ZINC000523955859 948732181 /nfs/dbraw/zinc/73/21/81/948732181.db2.gz OOTSHTUYGXIKEE-UHFFFAOYSA-N 0 1 360.757 3.532 20 5 FHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000072058216 208796063 /nfs/dbraw/zinc/79/60/63/208796063.db2.gz RNHBGEXLLXNESK-UHFFFAOYSA-N 0 1 371.462 3.704 20 5 FHBDMN COc1cc(CN2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341113 568032811 /nfs/dbraw/zinc/03/28/11/568032811.db2.gz PCKVXQAMYRZHMU-NWDGAFQWSA-N 0 1 358.385 3.868 20 5 FHBDMN Cc1c([C@@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000481570065 568057645 /nfs/dbraw/zinc/05/76/45/568057645.db2.gz DLFNDVWWELJSBS-QAPCUYQASA-N 0 1 355.438 3.773 20 5 FHBDMN COc1cc(CN2CCC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000481698410 568092113 /nfs/dbraw/zinc/09/21/13/568092113.db2.gz YASCKWFPYAUOQS-FQEVSTJZSA-N 0 1 354.406 3.625 20 5 FHBDMN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181883020 568099810 /nfs/dbraw/zinc/09/98/10/568099810.db2.gz USFASXXTHQHJBH-LBPRGKRZSA-N 0 1 357.801 3.680 20 5 FHBDMN CNC(=O)C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065268 568253440 /nfs/dbraw/zinc/25/34/40/568253440.db2.gz CUTMRRGTZHPOKO-MOPGFXCFSA-N 0 1 367.449 3.784 20 5 FHBDMN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482193699 568310691 /nfs/dbraw/zinc/31/06/91/568310691.db2.gz PNJDEVRNJVDFJD-JOYOIKCWSA-N 0 1 370.331 3.570 20 5 FHBDMN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1Cl ZINC000032315995 568386453 /nfs/dbraw/zinc/38/64/53/568386453.db2.gz FGSWYXKRMBRCKN-CQSZACIVSA-N 0 1 365.817 3.654 20 5 FHBDMN Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569852024 568439118 /nfs/dbraw/zinc/43/91/18/568439118.db2.gz OYBWWDGTQHRTAI-MRXNPFEDSA-N 0 1 361.442 3.810 20 5 FHBDMN O=C([O-])[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000833170390 600740136 /nfs/dbraw/zinc/74/01/36/600740136.db2.gz UBIHLOPFUGYEEN-CQSZACIVSA-N 0 1 355.177 3.817 20 5 FHBDMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833178940 601431938 /nfs/dbraw/zinc/43/19/38/601431938.db2.gz KOWJUYXJTKWERW-XJKSGUPXSA-N 0 1 373.409 3.591 20 5 FHBDMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833178940 601431940 /nfs/dbraw/zinc/43/19/40/601431940.db2.gz KOWJUYXJTKWERW-XJKSGUPXSA-N 0 1 373.409 3.591 20 5 FHBDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263421148 604524029 /nfs/dbraw/zinc/52/40/29/604524029.db2.gz OXLVVHPHYGVNRV-AWEZNQCLSA-N 0 1 350.758 3.557 20 5 FHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1snc(Cl)c1-c1nn[nH]n1 ZINC000826267533 608184554 /nfs/dbraw/zinc/18/45/54/608184554.db2.gz JUXUCDPCUGRTER-UHFFFAOYSA-N 0 1 373.181 3.639 20 5 FHBDMN C[C@H](N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1[N+](=O)[O-] ZINC000824547258 608526321 /nfs/dbraw/zinc/52/63/21/608526321.db2.gz NPPJGCPUVAEZEM-SJCJKPOMSA-N 0 1 364.409 3.503 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826282983 609152132 /nfs/dbraw/zinc/15/21/32/609152132.db2.gz HORFSSYCHLWZJG-NWDGAFQWSA-N 0 1 370.388 3.634 20 5 FHBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000178746628 936380169 /nfs/dbraw/zinc/38/01/69/936380169.db2.gz GXCHBLSZLXCREV-MRXNPFEDSA-N 0 1 368.355 3.649 20 5 FHBDMN CCO[C@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187054560 927876782 /nfs/dbraw/zinc/87/67/82/927876782.db2.gz MBHUQULTQLUUSC-HOTGVXAUSA-N 0 1 374.441 3.718 20 5 FHBDMN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000187164078 928217453 /nfs/dbraw/zinc/21/74/53/928217453.db2.gz DCPJJEZSAGNJRN-JTQLQIEISA-N 0 1 368.206 3.785 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000430218093 928243142 /nfs/dbraw/zinc/24/31/42/928243142.db2.gz LAAONTWTFDNCCW-HXUWFJFHSA-N 0 1 370.405 3.616 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000430247454 928521509 /nfs/dbraw/zinc/52/15/09/928521509.db2.gz ZDULDKXNVVBOOK-LJQANCHMSA-N 0 1 355.438 3.704 20 5 FHBDMN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3cccc([N+](=O)[O-])c3C)cn2)n1 ZINC000162802920 937299201 /nfs/dbraw/zinc/29/92/01/937299201.db2.gz JVYDLIPAHNBELB-MRXNPFEDSA-N 0 1 365.437 3.952 20 5 FHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175831863 929775814 /nfs/dbraw/zinc/77/58/14/929775814.db2.gz ORZPYRAUJGHGIM-LRDDRELGSA-N 0 1 350.415 3.884 20 5 FHBDMN C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420531 930494677 /nfs/dbraw/zinc/49/46/77/930494677.db2.gz KMPZCVOTJKVTAK-YLQAJVPDSA-N 0 1 368.355 3.780 20 5 FHBDMN COc1cc(COc2cc(C)nc(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000548142591 931263798 /nfs/dbraw/zinc/26/37/98/931263798.db2.gz XORUJSSOSJEYBU-UHFFFAOYSA-N 0 1 368.336 3.838 20 5 FHBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000477311407 932465172 /nfs/dbraw/zinc/46/51/72/932465172.db2.gz UHFPKKXWVIHXHG-VIFPVBQESA-N 0 1 359.411 3.542 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000178173849 932756210 /nfs/dbraw/zinc/75/62/10/932756210.db2.gz VOYIPHFMQVKEDU-HZPDHXFCSA-N 0 1 370.453 3.520 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](n2ncc3ccccc32)C1 ZINC000510471363 932800607 /nfs/dbraw/zinc/80/06/07/932800607.db2.gz LAKZRLUVFJZXLK-SFHVURJKSA-N 0 1 366.421 3.790 20 5 FHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000588444857 933105908 /nfs/dbraw/zinc/10/59/08/933105908.db2.gz NVROKZIDOUYWHU-KWRJMZDGSA-N 0 1 371.412 3.556 20 5 FHBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3cccc(-c4cccnc4)c3)CC2)c1 ZINC000510509941 933165818 /nfs/dbraw/zinc/16/58/18/933165818.db2.gz YSQGJARFFNBJHF-UHFFFAOYSA-N 0 1 374.444 3.979 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]4COCC[C@H]43)cs2)c1 ZINC000535800472 934395213 /nfs/dbraw/zinc/39/52/13/934395213.db2.gz BNIDSJCXZLGQNH-RHSMWYFYSA-N 0 1 359.451 3.719 20 5 FHBDMN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000535819042 934478083 /nfs/dbraw/zinc/47/80/83/934478083.db2.gz TWYBRMBOAPOJAV-QWRGUYRKSA-N 0 1 368.368 3.758 20 5 FHBDMN C[C@@H](NCc1ccnn1CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610831448 934502603 /nfs/dbraw/zinc/50/26/03/934502603.db2.gz UAVBUWRPNDFXNU-MRXNPFEDSA-N 0 1 350.422 3.885 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000610916762 934623261 /nfs/dbraw/zinc/62/32/61/934623261.db2.gz PMBBCATYRWRCSN-UHFFFAOYSA-N 0 1 370.331 3.732 20 5 FHBDMN COc1cccc(CN(CC(C)C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000610920762 934625398 /nfs/dbraw/zinc/62/53/98/934625398.db2.gz QGFAYRTXQXMTBQ-UHFFFAOYSA-N 0 1 374.441 3.748 20 5 FHBDMN Cc1ccc([C@@H]2CSCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000610922976 934627767 /nfs/dbraw/zinc/62/77/67/934627767.db2.gz TVNJIIHQEIYIBG-AWEZNQCLSA-N 0 1 374.466 3.680 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1SC ZINC000471988986 934670094 /nfs/dbraw/zinc/67/00/94/934670094.db2.gz PUOFPVGBDHERIF-UHFFFAOYSA-N 0 1 366.464 3.988 20 5 FHBDMN COc1cc(CN2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OC(F)F ZINC000135466382 934878571 /nfs/dbraw/zinc/87/85/71/934878571.db2.gz HYQNFPHCGZTAKX-LLVKDONJSA-N 0 1 362.398 3.532 20 5 FHBDMN Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000119586916 934900610 /nfs/dbraw/zinc/90/06/10/934900610.db2.gz DUNNFWFRKSGJCN-UHFFFAOYSA-N 0 1 360.313 3.723 20 5 FHBDMN Cc1c(NS(=O)(=O)c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000119678734 935020318 /nfs/dbraw/zinc/02/03/18/935020318.db2.gz IHNQIFARAYSKQP-UHFFFAOYSA-N 0 1 360.313 3.723 20 5 FHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119727789 935126261 /nfs/dbraw/zinc/12/62/61/935126261.db2.gz NHKATYVQHSZMRC-UHFFFAOYSA-N 0 1 351.366 3.694 20 5 FHBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157910034 935221333 /nfs/dbraw/zinc/22/13/33/935221333.db2.gz BQBIERKZQCFXMT-TZMCWYRMSA-N 0 1 373.457 3.533 20 5 FHBDMN CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511074538 935266877 /nfs/dbraw/zinc/26/68/77/935266877.db2.gz VHAHWHOQIQMTPZ-HXUWFJFHSA-N 0 1 369.465 3.679 20 5 FHBDMN O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000511780922 945100126 /nfs/dbraw/zinc/10/01/26/945100126.db2.gz ZBPJQHKBKMDYDI-AWEZNQCLSA-N 0 1 364.283 3.505 20 5 FHBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000507275744 945101376 /nfs/dbraw/zinc/10/13/76/945101376.db2.gz BWXBFFWISCYDHY-UHFFFAOYSA-N 0 1 366.377 3.664 20 5 FHBDMN Nc1c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000176314476 935584335 /nfs/dbraw/zinc/58/43/35/935584335.db2.gz JDGVUVINVPMWAW-UHFFFAOYSA-N 0 1 351.366 3.573 20 5 FHBDMN CCOc1ccc(NC(=O)CN2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000511108527 935601019 /nfs/dbraw/zinc/60/10/19/935601019.db2.gz HUHXEBMVLFMBFZ-KRWDZBQOSA-N 0 1 361.442 3.587 20 5 FHBDMN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]2)c1 ZINC000158182273 935617141 /nfs/dbraw/zinc/61/71/41/935617141.db2.gz NUCIYSQZZJRRQL-UHFFFAOYSA-N 0 1 366.377 3.863 20 5 FHBDMN CCCc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000479081632 935784021 /nfs/dbraw/zinc/78/40/21/935784021.db2.gz ZEPJXHNRCLVJLD-MRXNPFEDSA-N 0 1 370.434 3.851 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049384 935793020 /nfs/dbraw/zinc/79/30/20/935793020.db2.gz KRDGEFOYJGQSLF-ZIAGYGMSSA-N 0 1 362.451 3.719 20 5 FHBDMN CCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000507301137 945128995 /nfs/dbraw/zinc/12/89/95/945128995.db2.gz GHJCOVLYQDTTHP-INIZCTEOSA-N 0 1 350.321 3.850 20 5 FHBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000507302078 945129820 /nfs/dbraw/zinc/12/98/20/945129820.db2.gz LLFWHURJZGSVQZ-MRXNPFEDSA-N 0 1 350.321 3.706 20 5 FHBDMN NC(=O)c1ccc(CN2CCC[C@H]2Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000140531095 945136261 /nfs/dbraw/zinc/13/62/61/945136261.db2.gz JCOFWJLSGPLGGT-INIZCTEOSA-N 0 1 373.840 3.554 20 5 FHBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000187792773 936001399 /nfs/dbraw/zinc/00/13/99/936001399.db2.gz ZDBKCUIEDPVSOV-CQSZACIVSA-N 0 1 361.467 3.572 20 5 FHBDMN COc1ccc(-c2n[nH]c(S/C=C\c3ccc([N+](=O)[O-])o3)n2)c(OC)c1 ZINC000255533133 936029870 /nfs/dbraw/zinc/02/98/70/936029870.db2.gz ZKZSQDPVJJURTR-FPLPWBNLSA-N 0 1 374.378 3.753 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000178684773 936206488 /nfs/dbraw/zinc/20/64/88/936206488.db2.gz FQJNGAPCJLTFNJ-NWDGAFQWSA-N 0 1 362.817 3.629 20 5 FHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000061229085 936222805 /nfs/dbraw/zinc/22/28/05/936222805.db2.gz ATQCRFRTUVYDBX-QGZVFWFLSA-N 0 1 368.368 3.896 20 5 FHBDMN CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000584126651 938607855 /nfs/dbraw/zinc/60/78/55/938607855.db2.gz QTAFQPNUXXPQAF-UHFFFAOYSA-N 0 1 370.327 3.874 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000584261960 938663741 /nfs/dbraw/zinc/66/37/41/938663741.db2.gz CUTAPPQUGMAOCY-SFHVURJKSA-N 0 1 374.416 3.721 20 5 FHBDMN CCn1c2ccc(Cl)cc2nc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507396301 945197598 /nfs/dbraw/zinc/19/75/98/945197598.db2.gz CLVGTZVOFHBICS-UHFFFAOYSA-N 0 1 360.757 3.576 20 5 FHBDMN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])n[nH]2)c(C)c1 ZINC000188182481 939028026 /nfs/dbraw/zinc/02/80/26/939028026.db2.gz OHQRFMPRANNQJD-UHFFFAOYSA-N 0 1 364.405 3.874 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472357833 939064190 /nfs/dbraw/zinc/06/41/90/939064190.db2.gz DJNOIBZMZPGOKF-FUHWJXTLSA-N 0 1 367.449 3.795 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472357833 939064195 /nfs/dbraw/zinc/06/41/95/939064195.db2.gz DJNOIBZMZPGOKF-FUHWJXTLSA-N 0 1 367.449 3.795 20 5 FHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179742351 939927828 /nfs/dbraw/zinc/92/78/28/939927828.db2.gz GEKHLNNAXMMUCF-KRWDZBQOSA-N 0 1 371.437 3.981 20 5 FHBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000179757911 939931458 /nfs/dbraw/zinc/93/14/58/939931458.db2.gz FQAHSNBAEQOIJH-UHFFFAOYSA-N 0 1 355.438 3.710 20 5 FHBDMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000179948489 940160305 /nfs/dbraw/zinc/16/03/05/940160305.db2.gz TYAAMJOFAVICPC-CQSZACIVSA-N 0 1 362.451 3.548 20 5 FHBDMN O=C(Nc1nnc(C2CC2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000580800448 940487761 /nfs/dbraw/zinc/48/77/61/940487761.db2.gz JFDJJCCMJWWTJE-UHFFFAOYSA-N 0 1 358.301 3.595 20 5 FHBDMN CCN(CC)[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102575 945340743 /nfs/dbraw/zinc/34/07/43/945340743.db2.gz GVCDMMUYYPISCY-BEFAXECRSA-N 0 1 355.438 3.855 20 5 FHBDMN CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414266175 940863940 /nfs/dbraw/zinc/86/39/40/940863940.db2.gz RIVTUPCXNMLZPP-IUODEOHRSA-N 0 1 370.375 3.986 20 5 FHBDMN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414274703 940882916 /nfs/dbraw/zinc/88/29/16/940882916.db2.gz VJAQKHXYVYFFSN-BXUZGUMPSA-N 0 1 356.348 3.596 20 5 FHBDMN CC(C)c1ccc(CN2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000186482949 941008855 /nfs/dbraw/zinc/00/88/55/941008855.db2.gz CNERYNPGAXSJAA-UHFFFAOYSA-N 0 1 350.484 3.816 20 5 FHBDMN Cc1ccc([C@H](C)NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180435144 941014158 /nfs/dbraw/zinc/01/41/58/941014158.db2.gz WEMMMNREEXUKJM-CVEARBPZSA-N 0 1 355.438 3.740 20 5 FHBDMN C[C@@H](NCC(=O)Nc1cccc2c1N=S=N2)c1cccc([N+](=O)[O-])c1 ZINC000180439221 941014600 /nfs/dbraw/zinc/01/46/00/941014600.db2.gz JTGSCAAFZODEGE-SNVBAGLBSA-N 0 1 357.395 3.611 20 5 FHBDMN Cc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096488 941145495 /nfs/dbraw/zinc/14/54/95/941145495.db2.gz VUYCADGAXOBFBQ-VQIMIIECSA-N 0 1 367.449 3.663 20 5 FHBDMN Cc1ccc(-c2cc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])[nH]n2)c(C)c1 ZINC000189718081 941266958 /nfs/dbraw/zinc/26/69/58/941266958.db2.gz FGOOADPKLBSDGR-UHFFFAOYSA-N 0 1 362.389 3.805 20 5 FHBDMN CC(C)c1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000189967852 941317080 /nfs/dbraw/zinc/31/70/80/941317080.db2.gz GHLWSZAPXWOQGO-UHFFFAOYSA-N 0 1 370.384 3.706 20 5 FHBDMN CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000414652782 941425811 /nfs/dbraw/zinc/42/58/11/941425811.db2.gz HHNKTSIVHXSHAS-FQEVSTJZSA-N 0 1 369.421 3.659 20 5 FHBDMN O=[N+]([O-])c1cc(CNCCOc2cccc(Br)c2)cs1 ZINC000236636781 941522334 /nfs/dbraw/zinc/52/23/34/941522334.db2.gz IGILZBXPPVKXKB-UHFFFAOYSA-N 0 1 357.229 3.587 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513261190 941814199 /nfs/dbraw/zinc/81/41/99/941814199.db2.gz MCTCQNMHQWPKJF-KUHUBIRLSA-N 0 1 353.422 3.925 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000433695937 941837568 /nfs/dbraw/zinc/83/75/68/941837568.db2.gz ZRMOYNKDTUDJNT-UHFFFAOYSA-N 0 1 362.817 3.900 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1[N+](=O)[O-] ZINC000433741449 941860584 /nfs/dbraw/zinc/86/05/84/941860584.db2.gz HXMYZMKJIZCSRC-UHFFFAOYSA-N 0 1 360.389 3.633 20 5 FHBDMN CCCn1c(=O)[nH]nc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549307263 941908130 /nfs/dbraw/zinc/90/81/30/941908130.db2.gz OZFYMLMZHAJGNY-UHFFFAOYSA-N 0 1 362.333 3.613 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000433849888 941948476 /nfs/dbraw/zinc/94/84/76/941948476.db2.gz VBQGTGYDZPIHAM-VIFPVBQESA-N 0 1 352.341 3.553 20 5 FHBDMN Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101850767 942015721 /nfs/dbraw/zinc/01/57/21/942015721.db2.gz JUHIUMKUIJHFLD-UHFFFAOYSA-N 0 1 369.402 3.766 20 5 FHBDMN COc1cc(CN2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000280425240 942180984 /nfs/dbraw/zinc/18/09/84/942180984.db2.gz ZKFURCPEXBXQNO-QGZVFWFLSA-N 0 1 374.384 3.596 20 5 FHBDMN Cc1ccc(-c2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]n2)c(C)c1 ZINC000187825369 942228180 /nfs/dbraw/zinc/22/81/80/942228180.db2.gz VBPUQKOZEVJBPO-UHFFFAOYSA-N 0 1 362.389 3.805 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000421003106 942298347 /nfs/dbraw/zinc/29/83/47/942298347.db2.gz YUMADCPHIDDEHW-INIZCTEOSA-N 0 1 363.364 3.828 20 5 FHBDMN CC[C@H]1C[C@]1(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502525160 942498876 /nfs/dbraw/zinc/49/88/76/942498876.db2.gz UUYFJDUNFLDRQS-MGPUTAFESA-N 0 1 353.422 3.757 20 5 FHBDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421361027 942514336 /nfs/dbraw/zinc/51/43/36/942514336.db2.gz KCDPSHXHKFNLCI-GOEBONIOSA-N 0 1 374.412 3.977 20 5 FHBDMN Cn1ccnc1[C@@H](NC[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421392026 942543528 /nfs/dbraw/zinc/54/35/28/942543528.db2.gz WYTMWADEZJZQMD-RDJZCZTQSA-N 0 1 372.494 3.541 20 5 FHBDMN Cn1ccnc1[C@H](NC[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421392024 942543831 /nfs/dbraw/zinc/54/38/31/942543831.db2.gz WYTMWADEZJZQMD-NVXWUHKLSA-N 0 1 372.494 3.541 20 5 FHBDMN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434251052 942550068 /nfs/dbraw/zinc/55/00/68/942550068.db2.gz UHLHHKDXXQOKAC-HNNXBMFYSA-N 0 1 358.442 3.843 20 5 FHBDMN CCCn1nccc1C1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000501561735 942550848 /nfs/dbraw/zinc/55/08/48/942550848.db2.gz PQHLSMAGKFDOSI-UHFFFAOYSA-N 0 1 372.469 3.980 20 5 FHBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000421746231 942793966 /nfs/dbraw/zinc/79/39/66/942793966.db2.gz BDGBHULVLQQQIM-KRWDZBQOSA-N 0 1 359.426 3.618 20 5 FHBDMN COCc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507411 942836165 /nfs/dbraw/zinc/83/61/65/942836165.db2.gz UWVNTSLXVBOBFB-HZPDHXFCSA-N 0 1 370.453 3.780 20 5 FHBDMN CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC(C)C ZINC000434678821 942849425 /nfs/dbraw/zinc/84/94/25/942849425.db2.gz KVVBKYPUWDGOSL-UHFFFAOYSA-N 0 1 362.455 3.635 20 5 FHBDMN CCOc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OCC ZINC000505471710 942869093 /nfs/dbraw/zinc/86/90/93/942869093.db2.gz MITWOQMRTPAZPM-GFCCVEGCSA-N 0 1 374.393 3.589 20 5 FHBDMN CC(C)CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434696450 942869380 /nfs/dbraw/zinc/86/93/80/942869380.db2.gz ZCVCLARQEYGJEG-UHFFFAOYSA-N 0 1 374.466 3.777 20 5 FHBDMN Cc1c(CN[C@@H](Cn2ccccc2=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503270651 943094191 /nfs/dbraw/zinc/09/41/91/943094191.db2.gz PSQJFKYMSCULNH-IBGZPJMESA-N 0 1 363.417 3.596 20 5 FHBDMN COc1cc(CN2CCC(N3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000503369973 943143655 /nfs/dbraw/zinc/14/36/55/943143655.db2.gz CTGMVAVRVUBIQD-UHFFFAOYSA-N 0 1 367.449 3.631 20 5 FHBDMN CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000467208878 943480625 /nfs/dbraw/zinc/48/06/25/943480625.db2.gz VGAUTCRMPMPBDD-GXTWGEPZSA-N 0 1 374.466 3.777 20 5 FHBDMN CN(C)C(=O)c1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417326088 943518205 /nfs/dbraw/zinc/51/82/05/943518205.db2.gz QXJWHVNURFHJFZ-FQEVSTJZSA-N 0 1 367.449 3.854 20 5 FHBDMN CCNC(=O)c1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417343009 943531778 /nfs/dbraw/zinc/53/17/78/943531778.db2.gz PVAZCLQTWRDCFG-FQEVSTJZSA-N 0 1 367.449 3.902 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000504336636 943599963 /nfs/dbraw/zinc/59/99/63/943599963.db2.gz OLWIECGOHGMYPB-WHLNPGIBSA-N 0 1 362.389 3.789 20 5 FHBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000425416283 943857969 /nfs/dbraw/zinc/85/79/69/943857969.db2.gz GBWAEGAYXHIQSH-JSGCOSHPSA-N 0 1 369.259 3.606 20 5 FHBDMN COC(=O)c1cnc([C@H](C)N[C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000424337197 943868790 /nfs/dbraw/zinc/86/87/90/943868790.db2.gz ZDNZPYWOJGIZRS-NEPJUHHUSA-N 0 1 363.439 3.510 20 5 FHBDMN Cn1ccnc1[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000424346338 943875033 /nfs/dbraw/zinc/87/50/33/943875033.db2.gz JMKPHMFNKHRYSX-KVSKMBFKSA-N 0 1 354.454 3.976 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000505743031 943953409 /nfs/dbraw/zinc/95/34/09/943953409.db2.gz ZZTPNHIDETWSHK-OAHLLOKOSA-N 0 1 369.402 3.887 20 5 FHBDMN CN(C(=O)CN1CCC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000436122963 944037074 /nfs/dbraw/zinc/03/70/74/944037074.db2.gz GPLGWVXFXJWWEV-GOSISDBHSA-N 0 1 367.449 3.512 20 5 FHBDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000515655494 944080553 /nfs/dbraw/zinc/08/05/53/944080553.db2.gz JVXLVCOVDGTSGW-BBRMVZONSA-N 0 1 355.394 3.540 20 5 FHBDMN Cc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000500108389 944113559 /nfs/dbraw/zinc/11/35/59/944113559.db2.gz UXCYYMYLUNFVJY-SNVBAGLBSA-N 0 1 358.785 3.924 20 5 FHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1n[nH]c2ccc(Cl)cc21 ZINC000505189553 944119091 /nfs/dbraw/zinc/11/90/91/944119091.db2.gz IDWVAKIRUAYTPA-UHFFFAOYSA-N 0 1 365.176 3.708 20 5 FHBDMN C[S@](=O)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287287 944165734 /nfs/dbraw/zinc/16/57/34/944165734.db2.gz UHGRXIAXBLRHKN-BVZFJXPGSA-N 0 1 358.463 3.575 20 5 FHBDMN Cc1nn(C)c(NC[C@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000518298336 944244476 /nfs/dbraw/zinc/24/44/76/944244476.db2.gz FOBAQMMWIDHKIG-OAHLLOKOSA-N 0 1 363.849 3.539 20 5 FHBDMN Cc1ccc(C[C@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000500219343 944287119 /nfs/dbraw/zinc/28/71/19/944287119.db2.gz WXCQUPIBLLCWOH-HXUWFJFHSA-N 0 1 367.449 3.573 20 5 FHBDMN CC(C)n1c(=O)c2ccccc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436473010 944354286 /nfs/dbraw/zinc/35/42/86/944354286.db2.gz DIFNKKABYWZSMG-UHFFFAOYSA-N 0 1 371.418 3.884 20 5 FHBDMN COc1ccc([C@@H]2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1 ZINC000184259156 944355650 /nfs/dbraw/zinc/35/56/50/944355650.db2.gz UKGMASHPZDJGSU-CQSZACIVSA-N 0 1 360.385 3.741 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000473774568 944417550 /nfs/dbraw/zinc/41/75/50/944417550.db2.gz TZJBKFYHMJMBDN-UHFFFAOYSA-N 0 1 358.778 3.805 20 5 FHBDMN C[C@H](CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000066854645 944642492 /nfs/dbraw/zinc/64/24/92/944642492.db2.gz GAQUJFGEJXJYOC-CYBMUJFWSA-N 0 1 361.829 3.922 20 5 FHBDMN Cc1cc(C)cc(OCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000518760686 944725308 /nfs/dbraw/zinc/72/53/08/944725308.db2.gz MWICNZXRFGBDSX-UHFFFAOYSA-N 0 1 366.364 3.982 20 5 FHBDMN CCCSC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426817196 944838228 /nfs/dbraw/zinc/83/82/28/944838228.db2.gz NWFWJSXEMIIJKJ-OAHLLOKOSA-N 0 1 364.423 3.541 20 5 FHBDMN CC1(C)CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN1 ZINC000426892828 944895180 /nfs/dbraw/zinc/89/51/80/944895180.db2.gz BCPXMAUNGXMHKA-UHFFFAOYSA-N 0 1 371.462 3.570 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000507092027 944929515 /nfs/dbraw/zinc/92/95/15/944929515.db2.gz YAJBVKLCIFOMHN-QGZVFWFLSA-N 0 1 354.406 3.928 20 5 FHBDMN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000519488684 945461035 /nfs/dbraw/zinc/46/10/35/945461035.db2.gz RXCNQWVYMHQSPN-YJBOKZPZSA-N 0 1 355.438 3.683 20 5 FHBDMN CC(=O)N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000519833055 945796220 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FHBDMN COc1ccc(OCCN2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441205005 946316488 /nfs/dbraw/zinc/31/64/88/946316488.db2.gz IAVOUVYDVODDFI-QGZVFWFLSA-N 0 1 360.385 3.958 20 5 FHBDMN Cc1sc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000109504134 946318653 /nfs/dbraw/zinc/31/86/53/946318653.db2.gz UNEDCWHJYKEGPB-QGZVFWFLSA-N 0 1 373.478 3.840 20 5 FHBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000549562259 946447349 /nfs/dbraw/zinc/44/73/49/946447349.db2.gz BEAMQKONDOOSFI-JTQLQIEISA-N 0 1 362.336 3.896 20 5 FHBDMN CCSc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000473148832 946712845 /nfs/dbraw/zinc/71/28/45/946712845.db2.gz RIYAYZXSYCXBDH-OAHLLOKOSA-N 0 1 358.467 3.788 20 5 FHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2s1 ZINC000112532165 946908660 /nfs/dbraw/zinc/90/86/60/946908660.db2.gz YUPCCXNPUYTUHI-NWDGAFQWSA-N 0 1 370.434 3.882 20 5 FHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000843771476 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CCCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000549613841 948026714 /nfs/dbraw/zinc/02/67/14/948026714.db2.gz RVYATINNZDZNDA-OAHLLOKOSA-N 0 1 371.437 3.848 20 5 FHBDMN COc1cc2c(cc1OC)CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000512036003 948248168 /nfs/dbraw/zinc/24/81/68/948248168.db2.gz BRUPFXNTLGLGCF-FNORWQNLSA-N 0 1 368.433 3.726 20 5 FHBDMN COc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000574854961 948634092 /nfs/dbraw/zinc/63/40/92/948634092.db2.gz FYDUTTBXXQFIJC-YXJHDRRASA-N 0 1 366.433 3.648 20 5 FHBDMN CC(C)(C)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000097205669 222169470 /nfs/dbraw/zinc/16/94/70/222169470.db2.gz OVKFMPRZQKJZEO-UHFFFAOYSA-N 0 1 359.470 3.593 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000103190960 222324899 /nfs/dbraw/zinc/32/48/99/222324899.db2.gz YXULZPWXSDIWRK-UHFFFAOYSA-N 0 1 360.313 3.723 20 5 FHBDMN CC[C@@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481545888 568051116 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374.368 3.949 20 5 FHBDMN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)N2CCCCC2)cc1 ZINC000190302110 568256929 /nfs/dbraw/zinc/25/69/29/568256929.db2.gz IBUSNWYRRPUXHY-HNNXBMFYSA-N 0 1 362.455 3.699 20 5 FHBDMN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000584699383 568349164 /nfs/dbraw/zinc/34/91/64/568349164.db2.gz VNXOVSUUCOYMNG-SECBINFHSA-N 0 1 358.295 3.860 20 5 FHBDMN O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739796671 600216298 /nfs/dbraw/zinc/21/62/98/600216298.db2.gz HOWMAAMJDSELMC-UHFFFAOYSA-N 0 1 369.204 3.988 20 5 FHBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000828495056 600821803 /nfs/dbraw/zinc/82/18/03/600821803.db2.gz UWQQRBMTCRVCSJ-LSDHHAIUSA-N 0 1 369.421 3.565 20 5 FHBDMN C[C@H](Oc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)C(=O)[O-] ZINC000833537059 604535253 /nfs/dbraw/zinc/53/52/53/604535253.db2.gz HAIWRJMDZDNMFB-AWEZNQCLSA-N 0 1 370.405 3.611 20 5 FHBDMN C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833526994 605863593 /nfs/dbraw/zinc/86/35/93/605863593.db2.gz XJVJCTCVPRVGQX-YBZQBRCDSA-N 0 1 373.453 3.758 20 5 FHBDMN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995347 722195697 /nfs/dbraw/zinc/19/56/97/722195697.db2.gz UWIKRXLHSPEMNL-LJQANCHMSA-N 0 1 374.391 3.513 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2cccc(F)c2)c2c(c1)COCO2 ZINC000052034756 936343830 /nfs/dbraw/zinc/34/38/30/936343830.db2.gz KHPLAWAZHKPCDG-GOSISDBHSA-N 0 1 372.396 3.808 20 5 FHBDMN Cc1cc(NCc2nccn2-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000582986209 936345537 /nfs/dbraw/zinc/34/55/37/936345537.db2.gz KWVMCUOLOLBYMO-UHFFFAOYSA-N 0 1 359.389 3.671 20 5 FHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cs1 ZINC000120072327 927074040 /nfs/dbraw/zinc/07/40/40/927074040.db2.gz XCEHNRHELMEBQP-UHFFFAOYSA-N 0 1 366.392 3.772 20 5 FHBDMN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000187164097 928217035 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FHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000579628759 930654943 /nfs/dbraw/zinc/65/49/43/930654943.db2.gz ANKYWJCTVQYYOT-INIZCTEOSA-N 0 1 370.453 3.674 20 5 FHBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1cc(Br)cn1C ZINC000537724461 931218525 /nfs/dbraw/zinc/21/85/25/931218525.db2.gz DPGFFLSNYWKTID-ALCCZGGFSA-N 0 1 364.243 3.841 20 5 FHBDMN COc1ccc(NC(=O)CCN2CC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000610505259 932014518 /nfs/dbraw/zinc/01/45/18/932014518.db2.gz DPJTZCGYGZTYMQ-KRWDZBQOSA-N 0 1 373.384 3.518 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000610505244 932016505 /nfs/dbraw/zinc/01/65/05/932016505.db2.gz DFVKIPBUGDFNBC-SFHVURJKSA-N 0 1 357.385 3.818 20 5 FHBDMN Cc1c(NC(=O)CCN2CC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000610505303 932016798 /nfs/dbraw/zinc/01/67/98/932016798.db2.gz GGSVIAMMQYCXEP-GOSISDBHSA-N 0 1 357.385 3.818 20 5 FHBDMN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]2)c1 ZINC000157369414 932389922 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O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414678906 943221981 /nfs/dbraw/zinc/22/19/81/943221981.db2.gz JXWAGXAQKROHKR-AWEZNQCLSA-N 0 1 374.368 3.823 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932525 943318473 /nfs/dbraw/zinc/31/84/73/943318473.db2.gz VVDGIQJKCCIIKG-BLLLJJGKSA-N 0 1 360.376 3.990 20 5 FHBDMN C[C@H](c1nc(-c2cccs2)no1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000517042803 943944853 /nfs/dbraw/zinc/94/48/53/943944853.db2.gz BNQZTTAYYCPOMJ-GFCCVEGCSA-N 0 1 358.423 3.942 20 5 FHBDMN COc1ccc(OC)c([C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000515539977 943974364 /nfs/dbraw/zinc/97/43/64/943974364.db2.gz IGVLXZYMJAKZTH-QGZVFWFLSA-N 0 1 372.421 3.828 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1Cc1ccccc1 ZINC000500109139 944114244 /nfs/dbraw/zinc/11/42/44/944114244.db2.gz IBIFGKDPMFUBEJ-OAHLLOKOSA-N 0 1 364.405 3.709 20 5 FHBDMN CCCOc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000505784296 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FHBDMN COc1cc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000425554371 944326057 /nfs/dbraw/zinc/32/60/57/944326057.db2.gz ONTNGBZNYUROAD-GOSISDBHSA-N 0 1 364.417 3.524 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CN3CC4(CCC4)[C@@H]3C3CCOCC3)nc2c1 ZINC000425558227 944338089 /nfs/dbraw/zinc/33/80/89/944338089.db2.gz XJQFGISEOSIIIL-SFHVURJKSA-N 0 1 357.410 3.517 20 5 FHBDMN O=c1c2ccccc2nc(SCc2cc(O)ccc2[N+](=O)[O-])n1C1CC1 ZINC000436473248 944354268 /nfs/dbraw/zinc/35/42/68/944354268.db2.gz FXERMQYXLVFMPZ-UHFFFAOYSA-N 0 1 369.402 3.638 20 5 FHBDMN Cc1cc2c[nH]nc2c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000438130706 944358084 /nfs/dbraw/zinc/35/80/84/944358084.db2.gz MSOXHQGDFLMTST-UHFFFAOYSA-N 0 1 350.378 3.584 20 5 FHBDMN O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518454906 944407780 /nfs/dbraw/zinc/40/77/80/944407780.db2.gz ARZBVSIKCASTOC-ZBFHGGJFSA-N 0 1 350.378 3.537 20 5 FHBDMN COc1cc(CN(C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000438270959 944455629 /nfs/dbraw/zinc/45/56/29/944455629.db2.gz BRQRMLGTUJQKMZ-UHFFFAOYSA-N 0 1 356.422 3.776 20 5 FHBDMN CC(C)c1ccc(C(=O)NCc2ccc(F)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000473588807 944531048 /nfs/dbraw/zinc/53/10/48/944531048.db2.gz IYLXSVQCAVTNEJ-UHFFFAOYSA-N 0 1 373.428 3.849 20 5 FHBDMN Cc1nc2ccc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2s1 ZINC000426401936 944679024 /nfs/dbraw/zinc/67/90/24/944679024.db2.gz PWWHKHFNKMZXFJ-CQSZACIVSA-N 0 1 369.450 3.594 20 5 FHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000507028405 944877247 /nfs/dbraw/zinc/87/72/47/944877247.db2.gz VWNHLIRELITSCZ-UHFFFAOYSA-N 0 1 368.193 3.608 20 5 FHBDMN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000516505962 944941153 /nfs/dbraw/zinc/94/11/53/944941153.db2.gz PILZBNWLLZGJBE-ZDUSSCGKSA-N 0 1 360.414 3.673 20 5 FHBDMN COc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc2c1OCO2 ZINC000507152708 945002404 /nfs/dbraw/zinc/00/24/04/945002404.db2.gz YLEWVDFAEOKXAV-UHFFFAOYSA-N 0 1 358.394 3.743 20 5 FHBDMN Cc1ccccc1[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000507179745 945011152 /nfs/dbraw/zinc/01/11/52/945011152.db2.gz HTKCHEOATPUHGB-CVEARBPZSA-N 0 1 353.422 3.720 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CC[C@@](O)(C3CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000426509180 945025704 /nfs/dbraw/zinc/02/57/04/945025704.db2.gz RXHPUJLCHPURDI-FQEVSTJZSA-N 0 1 372.396 3.873 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438784013 945026736 /nfs/dbraw/zinc/02/67/36/945026736.db2.gz GBYTVWHQXIUTHC-UHFFFAOYSA-N 0 1 362.407 3.543 20 5 FHBDMN CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000519026231 945039906 /nfs/dbraw/zinc/03/99/06/945039906.db2.gz HSUPFQFLBDPUHZ-IBGZPJMESA-N 0 1 371.437 3.649 20 5 FHBDMN COc1ccc([C@H]2CCCN2Cc2cc(O)ccc2[N+](=O)[O-])c(OC)c1 ZINC000506704099 945043219 /nfs/dbraw/zinc/04/32/19/945043219.db2.gz AWCOULYGRVQVPD-GOSISDBHSA-N 0 1 358.394 3.655 20 5 FHBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383417034 945433003 /nfs/dbraw/zinc/43/30/03/945433003.db2.gz OIULWRDJXHEMQR-HOCLYGCPSA-N 0 1 369.421 3.616 20 5 FHBDMN Cc1nc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1C(=O)[O-] ZINC000426657846 945710837 /nfs/dbraw/zinc/71/08/37/945710837.db2.gz SFYXPNLAYQRHCG-UHFFFAOYSA-N 0 1 367.361 3.546 20 5 FHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757902 945742462 /nfs/dbraw/zinc/74/24/62/945742462.db2.gz XMCVPPQAJBGQHM-LBPRGKRZSA-N 0 1 369.377 3.639 20 5 FHBDMN Cc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)s2)cc1 ZINC000108248460 945897140 /nfs/dbraw/zinc/89/71/40/945897140.db2.gz SJYOHIZNIDCZIU-UHFFFAOYSA-N 0 1 360.420 3.659 20 5 FHBDMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444243410 946117990 /nfs/dbraw/zinc/11/79/90/946117990.db2.gz PVRAIWVYEYNBFU-KRWDZBQOSA-N 0 1 355.438 3.795 20 5 FHBDMN CCOC(=O)CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104667219 946442329 /nfs/dbraw/zinc/44/23/29/946442329.db2.gz SLAFACZHBONSAS-UHFFFAOYSA-N 0 1 364.442 3.547 20 5 FHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CO)(C(F)(F)F)CC1 ZINC000897038002 946512449 /nfs/dbraw/zinc/51/24/49/946512449.db2.gz YRGVXWHUQOHTJY-LCYFTJDESA-N 0 1 358.360 3.635 20 5 FHBDMN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000545753140 946528620 /nfs/dbraw/zinc/52/86/20/946528620.db2.gz SXRZKDNYHADBPE-UHFFFAOYSA-N 0 1 360.333 3.524 20 5 FHBDMN COc1cc(CN[C@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000475515657 946558836 /nfs/dbraw/zinc/55/88/36/946558836.db2.gz FDMHMILYAWNXAW-INIZCTEOSA-N 0 1 360.385 3.918 20 5 FHBDMN CC(C)c1ccc(CN[C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475516125 946570004 /nfs/dbraw/zinc/57/00/04/946570004.db2.gz JEWWQICPJVUHNW-HNNXBMFYSA-N 0 1 367.449 3.739 20 5 FHBDMN Cc1cccc2nc(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)[nH]c21 ZINC000475568794 946698979 /nfs/dbraw/zinc/69/89/79/946698979.db2.gz BJAFNNJNJKWFBC-UHFFFAOYSA-N 0 1 353.382 3.718 20 5 FHBDMN Cc1cccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000475279842 946816172 /nfs/dbraw/zinc/81/61/72/946816172.db2.gz OOTMBHHROXTOQG-UHFFFAOYSA-N 0 1 354.435 3.754 20 5 FHBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](COC)Cc1ccccc1 ZINC000444649660 947070006 /nfs/dbraw/zinc/07/00/06/947070006.db2.gz QUVODPJPCBPFDS-QGZVFWFLSA-N 0 1 368.437 3.551 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000432287877 947107858 /nfs/dbraw/zinc/10/78/58/947107858.db2.gz XRQMYMODZQJWHG-UHFFFAOYSA-N 0 1 354.769 3.506 20 5 FHBDMN CC1(C)CCc2ccccc2[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000440613654 947358616 /nfs/dbraw/zinc/35/86/16/947358616.db2.gz NBTBMIDKMIVZNS-GOSISDBHSA-N 0 1 367.449 3.887 20 5 FHBDMN CSc1ccccc1[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000440621567 947374792 /nfs/dbraw/zinc/37/47/92/947374792.db2.gz HWBWDTNTHHNZID-ZDUSSCGKSA-N 0 1 371.462 3.557 20 5 FHBDMN CSc1ccccc1[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000440632010 947394014 /nfs/dbraw/zinc/39/40/14/947394014.db2.gz BGRKQXGTJKOVAM-ZDUSSCGKSA-N 0 1 359.451 3.914 20 5 FHBDMN CSc1ccccc1[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000440630391 947430660 /nfs/dbraw/zinc/43/06/60/947430660.db2.gz XJBZAIVKUCESTJ-ZDUSSCGKSA-N 0 1 371.462 3.557 20 5 FHBDMN CSc1ccccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780365725 947620811 /nfs/dbraw/zinc/62/08/11/947620811.db2.gz OXYNNTVPGUBPTD-UHFFFAOYSA-N 0 1 358.828 3.771 20 5 FHBDMN COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613938249 948250637 /nfs/dbraw/zinc/25/06/37/948250637.db2.gz UHEREHBLTNNBSQ-QGZVFWFLSA-N 0 1 356.378 3.676 20 5 FHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c1 ZINC000184763978 948384462 /nfs/dbraw/zinc/38/44/62/948384462.db2.gz QYPATXFSYCKBME-UHFFFAOYSA-N 0 1 357.391 3.561 20 5 FHBDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000574735027 948420297 /nfs/dbraw/zinc/42/02/97/948420297.db2.gz LCQDRPPFQANUEC-MWLKLMTCSA-N 0 1 372.469 3.623 20 5 FHBDMN CN(C)Cc1cc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000574802420 948521156 /nfs/dbraw/zinc/52/11/56/948521156.db2.gz DKBZJIAKHCYJLG-UHFFFAOYSA-N 0 1 370.384 3.631 20 5 FHBDMN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432495800 948590604 /nfs/dbraw/zinc/59/06/04/948590604.db2.gz SAJCSTQQOLQLHI-UHFFFAOYSA-N 0 1 364.361 3.616 20 5 FHBDMN C[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000512165034 948602782 /nfs/dbraw/zinc/60/27/82/948602782.db2.gz KQDDACKIDOVSHM-RDTXWAMCSA-N 0 1 353.422 3.667 20 5 FHBDMN COc1ccccc1[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N(C)C ZINC000097472539 210098892 /nfs/dbraw/zinc/09/88/92/210098892.db2.gz IVVIOSNCXFHHMC-SFHVURJKSA-N 0 1 366.421 3.866 20 5 FHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481607648 568065334 /nfs/dbraw/zinc/06/53/34/568065334.db2.gz CWGAGAFMWZCMSY-HNNXBMFYSA-N 0 1 358.413 3.865 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(F)(F)[C@H](CO)C3)s2)cc1 ZINC000291189898 568074193 /nfs/dbraw/zinc/07/41/93/568074193.db2.gz GMRYQEVZVJROOQ-ZDUSSCGKSA-N 0 1 368.405 3.773 20 5 FHBDMN CCC(=O)c1ccc(O)c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000436647737 568231573 /nfs/dbraw/zinc/23/15/73/568231573.db2.gz KNMFAYIMBOGEMO-UHFFFAOYSA-N 0 1 371.393 3.724 20 5 FHBDMN CCC[C@H](N[C@H](CC(=O)NC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482079208 568254911 /nfs/dbraw/zinc/25/49/11/568254911.db2.gz UEEXVJFAIPPAFW-RBUKOAKNSA-N 0 1 355.438 3.903 20 5 FHBDMN COCCOCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000568970995 568258659 /nfs/dbraw/zinc/25/86/59/568258659.db2.gz QVSNHYGBPSKKPW-UHFFFAOYSA-N 0 1 368.817 3.603 20 5 FHBDMN COCCOCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000568970995 568258660 /nfs/dbraw/zinc/25/86/60/568258660.db2.gz QVSNHYGBPSKKPW-UHFFFAOYSA-N 0 1 368.817 3.603 20 5 FHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000453031515 568264987 /nfs/dbraw/zinc/26/49/87/568264987.db2.gz YWAUTTYYEWLCQW-XLIONFOSSA-N 0 1 368.433 3.562 20 5 FHBDMN COc1ccc2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)[nH]c2c1 ZINC000003534809 568370515 /nfs/dbraw/zinc/37/05/15/568370515.db2.gz KOFQTBGRWHNTQH-UHFFFAOYSA-N 0 1 373.390 3.639 20 5 FHBDMN Cc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541999891 568378188 /nfs/dbraw/zinc/37/81/88/568378188.db2.gz FJYJPAVHBYRTEB-UHFFFAOYSA-N 0 1 360.313 3.723 20 5 FHBDMN COC(=O)CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000570106462 568451322 /nfs/dbraw/zinc/45/13/22/568451322.db2.gz JGSLCAPHXVCIPI-MSOLQXFVSA-N 0 1 354.406 3.866 20 5 FHBDMN C[C@@H](Oc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)C(=O)[O-] ZINC000833539456 604535138 /nfs/dbraw/zinc/53/51/38/604535138.db2.gz ZAUBRLNROYSNSN-CQSZACIVSA-N 0 1 370.405 3.611 20 5 FHBDMN C[C@@H](Oc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)C(=O)[O-] ZINC000833539456 604535141 /nfs/dbraw/zinc/53/51/41/604535141.db2.gz ZAUBRLNROYSNSN-CQSZACIVSA-N 0 1 370.405 3.611 20 5 FHBDMN C[N@H+]1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000833697933 604679321 /nfs/dbraw/zinc/67/93/21/604679321.db2.gz JXEHSQQOBLQAHA-TWWASOPWSA-N 0 1 367.405 3.550 20 5 FHBDMN C[C@H](CN1CCCCC1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277989561 936320741 /nfs/dbraw/zinc/32/07/41/936320741.db2.gz WPWDLSZLZMOYNZ-OAHLLOKOSA-N 0 1 363.461 3.698 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000120088030 927136666 /nfs/dbraw/zinc/13/66/66/927136666.db2.gz HSZPPBWYOSYNKI-UHFFFAOYSA-N 0 1 374.416 3.734 20 5 FHBDMN Cc1nc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH]c1-c1ccccc1 ZINC000187125160 927932888 /nfs/dbraw/zinc/93/28/88/927932888.db2.gz VIIBWXXLUFFACY-UHFFFAOYSA-N 0 1 368.418 3.685 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000430200120 927939406 /nfs/dbraw/zinc/93/94/06/927939406.db2.gz FQUXJAOUOWZFTJ-HXUWFJFHSA-N 0 1 354.406 3.625 20 5 FHBDMN Cc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1C(F)(F)F ZINC000120288851 928003903 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ZINC000178212082 932877341 /nfs/dbraw/zinc/87/73/41/932877341.db2.gz NMELUSVXBJUSOS-UHFFFAOYSA-N 0 1 351.341 3.813 20 5 FHBDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206037 932879067 /nfs/dbraw/zinc/87/90/67/932879067.db2.gz ZUIRXZOFYRYCPO-ZDUSSCGKSA-N 0 1 353.378 3.939 20 5 FHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000175973505 932929201 /nfs/dbraw/zinc/92/92/01/932929201.db2.gz UZHUNQIVXXOMMQ-UHFFFAOYSA-N 0 1 373.390 3.723 20 5 FHBDMN CCCc1[nH]nc(C(=O)N(CC)Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000135386708 933444955 /nfs/dbraw/zinc/44/49/55/933444955.db2.gz LYXYLYSCLVTUGS-UHFFFAOYSA-N 0 1 350.806 3.586 20 5 FHBDMN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000548452303 933912610 /nfs/dbraw/zinc/91/26/10/933912610.db2.gz QEDVXIHDTWYZEV-LEHRNKBSSA-N 0 1 362.426 3.500 20 5 FHBDMN Cc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000092480385 934068696 /nfs/dbraw/zinc/06/86/96/934068696.db2.gz YOYKWGWGZDQNAN-UHFFFAOYSA-N 0 1 368.437 3.689 20 5 FHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000276966630 934155680 /nfs/dbraw/zinc/15/56/80/934155680.db2.gz PVIIIAZJLBGZIK-CABZTGNLSA-N 0 1 360.418 3.726 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000535800471 934395032 /nfs/dbraw/zinc/39/50/32/934395032.db2.gz BNIDSJCXZLGQNH-PBHICJAKSA-N 0 1 359.451 3.719 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000610925760 934628674 /nfs/dbraw/zinc/62/86/74/934628674.db2.gz SKQUAORXEZTONG-KRWDZBQOSA-N 0 1 356.426 3.837 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccccc1-c1nnc[nH]1 ZINC000158088929 935035877 /nfs/dbraw/zinc/03/58/77/935035877.db2.gz AFTOWQYGZVPSGQ-UHFFFAOYSA-N 0 1 354.366 3.746 20 5 FHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000582388739 935612517 /nfs/dbraw/zinc/61/25/17/935612517.db2.gz AEXBZUYUZHECIE-KRWDZBQOSA-N 0 1 357.841 3.885 20 5 FHBDMN COc1ccc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc1[N+](=O)[O-] ZINC000158287897 935683922 /nfs/dbraw/zinc/68/39/22/935683922.db2.gz KHCSAOVCLAIMCA-UHFFFAOYSA-N 0 1 369.421 3.827 20 5 FHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)c2C1 ZINC000158337683 935736895 /nfs/dbraw/zinc/73/68/95/935736895.db2.gz ISXBHPGLOWPFLO-UHFFFAOYSA-N 0 1 372.400 3.540 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683907 936205159 /nfs/dbraw/zinc/20/51/59/936205159.db2.gz TUWNSXGSCHWOPO-KKUMJFAQSA-N 0 1 373.428 3.959 20 5 FHBDMN Cc1nc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000178690406 936207026 /nfs/dbraw/zinc/20/70/26/936207026.db2.gz DOVKXRMZSQLCJL-VXGBXAGGSA-N 0 1 362.455 3.654 20 5 FHBDMN Cc1cnc(NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078631443 936223854 /nfs/dbraw/zinc/22/38/54/936223854.db2.gz WRZNTDFDOKOIFY-HZPDHXFCSA-N 0 1 370.453 3.520 20 5 FHBDMN CC1CCN(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277984410 936308180 /nfs/dbraw/zinc/30/81/80/936308180.db2.gz WCLJKFHXCHFPIA-UHFFFAOYSA-N 0 1 363.461 3.555 20 5 FHBDMN CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000507351373 945165208 /nfs/dbraw/zinc/16/52/08/945165208.db2.gz WTSFSBRRDFTNCA-MRXNPFEDSA-N 0 1 371.437 3.713 20 5 FHBDMN CCCN(CCOc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000507351373 945165214 /nfs/dbraw/zinc/16/52/14/945165214.db2.gz WTSFSBRRDFTNCA-MRXNPFEDSA-N 0 1 371.437 3.713 20 5 FHBDMN CCCN1Cc2cccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000255577528 938365371 /nfs/dbraw/zinc/36/53/71/938365371.db2.gz PLBCLMBKMNQKDE-FLIBITNWSA-N 0 1 351.406 3.972 20 5 FHBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000179001113 938480788 /nfs/dbraw/zinc/48/07/88/938480788.db2.gz RSIXAJYQQUXGAF-INIZCTEOSA-N 0 1 365.227 3.523 20 5 FHBDMN Cc1cc(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000080598127 938514506 /nfs/dbraw/zinc/51/45/06/938514506.db2.gz LZTKMJCLQASQNA-HOTGVXAUSA-N 0 1 370.453 3.520 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CC=C(c3cccc4ccccc43)C2)c1[N+](=O)[O-] ZINC000507366898 945185727 /nfs/dbraw/zinc/18/57/27/945185727.db2.gz DLPGRYPXSVBUAD-UHFFFAOYSA-N 0 1 362.389 3.573 20 5 FHBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccc2ccccc21 ZINC000053017243 938786632 /nfs/dbraw/zinc/78/66/32/938786632.db2.gz WBGDDOXIDJOFQN-UHFFFAOYSA-N 0 1 363.417 3.843 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(F)cccc1NC(C)C ZINC000158870864 938917896 /nfs/dbraw/zinc/91/78/96/938917896.db2.gz PHIKEIIEPOZGIA-UHFFFAOYSA-N 0 1 367.402 3.663 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472341978 939001159 /nfs/dbraw/zinc/00/11/59/939001159.db2.gz IBFIPHMORVLIFN-SJLPKXTDSA-N 0 1 367.449 3.795 20 5 FHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000611983711 939011827 /nfs/dbraw/zinc/01/18/27/939011827.db2.gz BGOIESNZFXNPPX-CQSZACIVSA-N 0 1 363.364 3.656 20 5 FHBDMN COc1ccc(-c2ccc(CNCc3ccccc3CO)o2)c([N+](=O)[O-])c1 ZINC000102424322 939018612 /nfs/dbraw/zinc/01/86/12/939018612.db2.gz XTCHGKQWQZDIMZ-UHFFFAOYSA-N 0 1 368.389 3.646 20 5 FHBDMN CCOc1ccc([C@H](C)NCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000179392273 939139739 /nfs/dbraw/zinc/13/97/39/939139739.db2.gz DZLIPQUDFODCJW-ZDUSSCGKSA-N 0 1 358.394 3.616 20 5 FHBDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000472389110 939202850 /nfs/dbraw/zinc/20/28/50/939202850.db2.gz QLGMYZGUTYETMY-HIFRSBDPSA-N 0 1 364.405 3.564 20 5 FHBDMN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2cccnc2c1C ZINC000437328270 945251101 /nfs/dbraw/zinc/25/11/01/945251101.db2.gz XPDNGKPLINAXRZ-UHFFFAOYSA-N 0 1 371.418 3.869 20 5 FHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@]2(CO)CCc3ccccc32)o1 ZINC000135899905 939912634 /nfs/dbraw/zinc/91/26/34/939912634.db2.gz ZTOCRDREGARRMG-OAQYLSRUSA-N 0 1 364.401 3.778 20 5 FHBDMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179742331 939927906 /nfs/dbraw/zinc/92/79/06/939927906.db2.gz PSOLLDQYOYOTKY-QGZVFWFLSA-N 0 1 371.437 3.981 20 5 FHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179742318 939927943 /nfs/dbraw/zinc/92/79/43/939927943.db2.gz PSOLLDQYOYOTKY-KRWDZBQOSA-N 0 1 371.437 3.981 20 5 FHBDMN COc1cc(C[N@@H+](C)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179797794 939938404 /nfs/dbraw/zinc/93/84/04/939938404.db2.gz LIDZWFCHYIBEAJ-UHFFFAOYSA-N 0 1 362.348 3.919 20 5 FHBDMN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507504976 945285902 /nfs/dbraw/zinc/28/59/02/945285902.db2.gz DCYNIOLQTHCRMI-OLZOCXBDSA-N 0 1 359.451 3.995 20 5 FHBDMN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780354385 940093248 /nfs/dbraw/zinc/09/32/48/940093248.db2.gz RQNQINCTCQKEFR-UHFFFAOYSA-N 0 1 368.311 3.982 20 5 FHBDMN O=[N+]([O-])c1ccccc1OCCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411994885 940179852 /nfs/dbraw/zinc/17/98/52/940179852.db2.gz BKIGTWFVSJNUOB-HXUWFJFHSA-N 0 1 368.433 3.827 20 5 FHBDMN CN(Cc1ccc(Br)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000506788420 945316525 /nfs/dbraw/zinc/31/65/25/945316525.db2.gz OTOAYWFDYKXIEO-UHFFFAOYSA-N 0 1 351.200 3.695 20 5 FHBDMN Cn1ccnc1[C@H](NC1CCC(C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414183969 940725188 /nfs/dbraw/zinc/72/51/88/940725188.db2.gz NOOQGCTVFJDPFC-LDZOIKDWSA-N 0 1 364.396 3.831 20 5 FHBDMN CC[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414266174 940863804 /nfs/dbraw/zinc/86/38/04/940863804.db2.gz RIVTUPCXNMLZPP-DOMZBBRYSA-N 0 1 370.375 3.986 20 5 FHBDMN C[C@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420423 941009839 /nfs/dbraw/zinc/00/98/39/941009839.db2.gz CLKLMPCIVQKJIA-YWZLYKJASA-N 0 1 367.449 3.781 20 5 FHBDMN CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414381994 941075831 /nfs/dbraw/zinc/07/58/31/941075831.db2.gz NRUVECJKVAEIPT-ZDUSSCGKSA-N 0 1 364.423 3.720 20 5 FHBDMN CC[C@H](N[C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189077518 941146536 /nfs/dbraw/zinc/14/65/36/941146536.db2.gz YQQUMCPWIPYJFT-PMACEKPBSA-N 0 1 367.449 3.745 20 5 FHBDMN C[C@H](C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000414658025 941429138 /nfs/dbraw/zinc/42/91/38/941429138.db2.gz PPTWLGDXOQOWMB-CQSZACIVSA-N 0 1 357.410 3.515 20 5 FHBDMN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(F)cncc1F ZINC000513247069 941813219 /nfs/dbraw/zinc/81/32/19/941813219.db2.gz IXJRQDJRJMHDFH-NSHDSACASA-N 0 1 374.347 3.816 20 5 FHBDMN CC(C)c1nnc([C@@H]2CC23CCN(Cc2ccccc2[N+](=O)[O-])CC3)o1 ZINC000377617024 941846834 /nfs/dbraw/zinc/84/68/34/941846834.db2.gz VQADHBVBYIYBRV-HNNXBMFYSA-N 0 1 356.426 3.871 20 5 FHBDMN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000513371486 941880869 /nfs/dbraw/zinc/88/08/69/941880869.db2.gz OOQOOBYZIHHEOW-QGZVFWFLSA-N 0 1 356.422 3.955 20 5 FHBDMN COc1ccccc1O[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000513371486 941880874 /nfs/dbraw/zinc/88/08/74/941880874.db2.gz OOQOOBYZIHHEOW-QGZVFWFLSA-N 0 1 356.422 3.955 20 5 FHBDMN COc1ccccc1O[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000513386811 941884934 /nfs/dbraw/zinc/88/49/34/941884934.db2.gz QQFOGZUFFQRNEA-MRXNPFEDSA-N 0 1 372.421 3.526 20 5 FHBDMN O=C(Nc1ccc(F)cc1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000101917031 942019795 /nfs/dbraw/zinc/01/97/95/942019795.db2.gz FDUKOBYIAITMGM-UHFFFAOYSA-N 0 1 357.385 3.585 20 5 FHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000473531162 942024786 /nfs/dbraw/zinc/02/47/86/942024786.db2.gz PEZUDCRGZZTXEJ-CQSZACIVSA-N 0 1 356.426 3.517 20 5 FHBDMN Cc1nc2c(cccc2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]1 ZINC000549346344 942028745 /nfs/dbraw/zinc/02/87/45/942028745.db2.gz CJDSAGVORADDCF-UHFFFAOYSA-N 0 1 350.378 3.584 20 5 FHBDMN CC(C)[C@H](O)C(C)(C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158999686 942039265 /nfs/dbraw/zinc/03/92/65/942039265.db2.gz HGPNDOCQYLDPDH-INIZCTEOSA-N 0 1 363.483 3.851 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000434033776 942048003 /nfs/dbraw/zinc/04/80/03/942048003.db2.gz 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Cc1[nH]nc(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)c1[N+](=O)[O-] ZINC000434373141 942627359 /nfs/dbraw/zinc/62/73/59/942627359.db2.gz YPIFCVJEGJCCEA-QMMMGPOBSA-N 0 1 369.208 3.693 20 5 FHBDMN Cc1cnc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)o1 ZINC000066814498 942701591 /nfs/dbraw/zinc/70/15/91/942701591.db2.gz VVLWIWUYEDKRQL-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081513 942733475 /nfs/dbraw/zinc/73/34/75/942733475.db2.gz CCXVPQFSYSITSA-KXBFYZLASA-N 0 1 350.422 3.811 20 5 FHBDMN COCc1nccc([C@H]2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507409 942835889 /nfs/dbraw/zinc/83/58/89/942835889.db2.gz UWVNTSLXVBOBFB-CVEARBPZSA-N 0 1 370.453 3.780 20 5 FHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1OCCO)CCCC2 ZINC000417301705 943495281 /nfs/dbraw/zinc/49/52/81/943495281.db2.gz BVYCJLDCFINCJD-IBGZPJMESA-N 0 1 356.422 3.523 20 5 FHBDMN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000516897920 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374.462 3.556 20 5 FHBDMN O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506205094 944505622 /nfs/dbraw/zinc/50/56/22/944505622.db2.gz AHJZGKBZXKQCMN-UHFFFAOYSA-N 0 1 374.403 3.555 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 ZINC000007055868 944517919 /nfs/dbraw/zinc/51/79/19/944517919.db2.gz PFJMVXRYJMPFKP-UHFFFAOYSA-N 0 1 360.363 3.710 20 5 FHBDMN C[C@H](c1ccccc1F)N1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1=O ZINC000550251862 944566365 /nfs/dbraw/zinc/56/63/65/944566365.db2.gz QHXDYYUHOOZMQD-AUUYWEPGSA-N 0 1 371.412 3.576 20 5 FHBDMN CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(C(=O)[O-])CC1 ZINC000517758916 944580085 /nfs/dbraw/zinc/58/00/85/944580085.db2.gz GHXRHYIBRFNZLT-UHFFFAOYSA-N 0 1 373.409 3.715 20 5 FHBDMN C[C@@H]1CN(C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000408101257 944709005 /nfs/dbraw/zinc/70/90/05/944709005.db2.gz JGPSDBLFEKMIKB-LLVKDONJSA-N 0 1 374.268 3.591 20 5 FHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000506917508 944745220 /nfs/dbraw/zinc/74/52/20/944745220.db2.gz NYQFBJKNYMVQOZ-UHFFFAOYSA-N 0 1 356.285 3.804 20 5 FHBDMN C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000506942383 944763657 /nfs/dbraw/zinc/76/36/57/944763657.db2.gz INPDQSBCMWGYBE-UVIMBBFXSA-N 0 1 373.840 3.871 20 5 FHBDMN CCCSC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000426773261 944792420 /nfs/dbraw/zinc/79/24/20/944792420.db2.gz IZUNYZGJJVOXER-AWEZNQCLSA-N 0 1 364.423 3.541 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000438594674 944819412 /nfs/dbraw/zinc/81/94/12/944819412.db2.gz ZTTBXRCCGPCUMV-UHFFFAOYSA-N 0 1 371.437 3.843 20 5 FHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507026135 944874835 /nfs/dbraw/zinc/87/48/35/944874835.db2.gz CKXGKIMSJWXGPV-JTQLQIEISA-N 0 1 356.304 3.544 20 5 FHBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000500425787 944875255 /nfs/dbraw/zinc/87/52/55/944875255.db2.gz FHPVLRZAOMNBHR-HNNXBMFYSA-N 0 1 363.211 3.971 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)c3c(F)cccc3F)o2)c1 ZINC000123994445 944913208 /nfs/dbraw/zinc/91/32/08/944913208.db2.gz VNNHXUNUTSPBAV-KRWDZBQOSA-N 0 1 374.343 3.956 20 5 FHBDMN CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000519488682 945460648 /nfs/dbraw/zinc/46/06/48/945460648.db2.gz RXCNQWVYMHQSPN-MAUKXSAKSA-N 0 1 355.438 3.683 20 5 FHBDMN C[C@H](O)[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000507697631 945461254 /nfs/dbraw/zinc/46/12/54/945461254.db2.gz KMDIKMHVPJBVEZ-ZFWWWQNUSA-N 0 1 360.385 3.729 20 5 FHBDMN COc1cc(CN2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507712635 945485906 /nfs/dbraw/zinc/48/59/06/945485906.db2.gz DKKHMLMSLCVYIZ-HNNXBMFYSA-N 0 1 372.421 3.513 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cc2ccccc2n(C)c1=O ZINC000519621128 945592904 /nfs/dbraw/zinc/59/29/04/945592904.db2.gz CUOGMLWQRRDVHK-CQSZACIVSA-N 0 1 351.406 3.606 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000181759768 945746901 /nfs/dbraw/zinc/74/69/01/945746901.db2.gz JHQUQKNPPMAOCW-ZDUSSCGKSA-N 0 1 353.378 3.939 20 5 FHBDMN CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482890 946023719 /nfs/dbraw/zinc/02/37/19/946023719.db2.gz DZGOZWUMADACDW-INIZCTEOSA-N 0 1 363.458 3.816 20 5 FHBDMN CC(C)c1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000439742336 946138406 /nfs/dbraw/zinc/13/84/06/946138406.db2.gz UBXNBYOCJRHXHP-OALUTQOASA-N 0 1 367.449 3.546 20 5 FHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000549553520 946326481 /nfs/dbraw/zinc/32/64/81/946326481.db2.gz CGLKXOOZDORJQP-QGZVFWFLSA-N 0 1 366.776 3.666 20 5 FHBDMN C/C(=C\c1ccccc1)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000427560885 946616714 /nfs/dbraw/zinc/61/67/14/946616714.db2.gz WZHUSZXJQSOVGF-JLHYYAGUSA-N 0 1 350.378 3.647 20 5 FHBDMN CCS[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112088871 946659613 /nfs/dbraw/zinc/65/96/13/946659613.db2.gz DJTBHCXALFWVGM-UONOGXRCSA-N 0 1 351.472 3.529 20 5 FHBDMN CCN1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000475194479 946678362 /nfs/dbraw/zinc/67/83/62/946678362.db2.gz QPACKDCEPGXPRS-MNOVXSKESA-N 0 1 374.363 3.560 20 5 FHBDMN COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475580875 946746376 /nfs/dbraw/zinc/74/63/76/946746376.db2.gz GSBAALDLMLQGBG-OAHLLOKOSA-N 0 1 372.421 3.648 20 5 FHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1(c2ccccc2)CC1 ZINC000444676493 947101039 /nfs/dbraw/zinc/10/10/39/947101039.db2.gz QOICJEOAQJIHBX-OAHLLOKOSA-N 0 1 353.422 3.585 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074448508 947170629 /nfs/dbraw/zinc/17/06/29/947170629.db2.gz JPFDSBDPKVGODD-LJQANCHMSA-N 0 1 367.449 3.640 20 5 FHBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3ccc4ccccc4c3)CC2)cn1 ZINC000523701610 947527021 /nfs/dbraw/zinc/52/70/21/947527021.db2.gz GHHKTODOARBGGF-UHFFFAOYSA-N 0 1 362.433 3.508 20 5 FHBDMN CCS[C@H]1CC[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072838453 947570508 /nfs/dbraw/zinc/57/05/08/947570508.db2.gz LSBYVGKCKREIAS-CABCVRRESA-N 0 1 362.455 3.751 20 5 FHBDMN CN(Cc1ccc(F)cc1Br)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549611107 948007608 /nfs/dbraw/zinc/00/76/08/948007608.db2.gz UVYNPKZAXIOXMI-UHFFFAOYSA-N 0 1 369.190 3.834 20 5 FHBDMN CC(C)(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507788697 948412623 /nfs/dbraw/zinc/41/26/23/948412623.db2.gz OXHCWJOQPVLECW-UHFFFAOYSA-N 0 1 355.438 3.742 20 5 FHBDMN CC(C)(C)CN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507788697 948412627 /nfs/dbraw/zinc/41/26/27/948412627.db2.gz OXHCWJOQPVLECW-UHFFFAOYSA-N 0 1 355.438 3.742 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000432488873 948564724 /nfs/dbraw/zinc/56/47/24/948564724.db2.gz IKFJZUGGOMCWJB-IBGZPJMESA-N 0 1 352.390 3.983 20 5 FHBDMN CCOc1cc(NC(=O)c2nc(Cl)cs2)c([N+](=O)[O-])cc1OCC ZINC000279274578 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FHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(F)(F)[C@H](CO)C2)s1 ZINC000291351744 568118563 /nfs/dbraw/zinc/11/85/63/568118563.db2.gz XGZRAYWNUCQVAM-LBPRGKRZSA-N 0 1 368.405 3.773 20 5 FHBDMN CCC[C@@H](N[C@@H](CC(=O)NC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482079204 568254908 /nfs/dbraw/zinc/25/49/08/568254908.db2.gz UEEXVJFAIPPAFW-MOPGFXCFSA-N 0 1 355.438 3.903 20 5 FHBDMN CCC[C@@H](N[C@H](CC(=O)NC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482079210 568254915 /nfs/dbraw/zinc/25/49/15/568254915.db2.gz UEEXVJFAIPPAFW-RTBURBONSA-N 0 1 355.438 3.903 20 5 FHBDMN CCOc1ccc([C@H](C)N[C@H](CC(=O)NC)c2ccccc2)cc1[N+](=O)[O-] ZINC000482084070 568257786 /nfs/dbraw/zinc/25/77/86/568257786.db2.gz WOZJVFCMMFOEOY-WMLDXEAASA-N 0 1 371.437 3.522 20 5 FHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453031519 568264993 /nfs/dbraw/zinc/26/49/93/568264993.db2.gz YWAUTTYYEWLCQW-YLJYHZDGSA-N 0 1 368.433 3.562 20 5 FHBDMN COc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000291718234 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COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000430217872 928258278 /nfs/dbraw/zinc/25/82/78/928258278.db2.gz LUFMIBWDZGVGEW-CYBMUJFWSA-N 0 1 369.421 3.803 20 5 FHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000157706794 928499980 /nfs/dbraw/zinc/49/99/80/928499980.db2.gz GHHNZIARBWMAHT-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN CCC[C@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609036781 928955538 /nfs/dbraw/zinc/95/55/38/928955538.db2.gz XMTPVLBOXLAWNF-CQSZACIVSA-N 0 1 352.394 3.612 20 5 FHBDMN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3C)cn2)n1 ZINC000162802821 937298574 /nfs/dbraw/zinc/29/85/74/937298574.db2.gz JVYDLIPAHNBELB-INIZCTEOSA-N 0 1 365.437 3.952 20 5 FHBDMN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000162829971 937318467 /nfs/dbraw/zinc/31/84/67/937318467.db2.gz PWGHFWYBFHARQY-OAHLLOKOSA-N 0 1 351.410 3.643 20 5 FHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109851569 929731783 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368.355 3.780 20 5 FHBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000109894353 930626758 /nfs/dbraw/zinc/62/67/58/930626758.db2.gz CTHUNVZGQJORBJ-UHFFFAOYSA-N 0 1 365.393 3.789 20 5 FHBDMN Cc1c(NC(=O)CCN2CC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000610505304 932015982 /nfs/dbraw/zinc/01/59/82/932015982.db2.gz GGSVIAMMQYCXEP-SFHVURJKSA-N 0 1 357.385 3.818 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000610505423 932016067 /nfs/dbraw/zinc/01/60/67/932016067.db2.gz KXKFEGSBFHRRCN-SFHVURJKSA-N 0 1 357.385 3.818 20 5 FHBDMN O=[N+]([O-])c1ccccc1CN(CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000135235552 932085971 /nfs/dbraw/zinc/08/59/71/932085971.db2.gz BFPUGHFKTXTHIP-UHFFFAOYSA-N 0 1 364.405 3.852 20 5 FHBDMN CN(C(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135236537 932086309 /nfs/dbraw/zinc/08/63/09/932086309.db2.gz KRHDMNRXYWYSBK-UHFFFAOYSA-N 0 1 353.422 3.612 20 5 FHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000581456160 932090169 /nfs/dbraw/zinc/09/01/69/932090169.db2.gz SHWNALZQUFYSCG-BZPDREMPSA-N 0 1 371.437 3.894 20 5 FHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000477516199 932665636 /nfs/dbraw/zinc/66/56/36/932665636.db2.gz YJLTXELAUISNLX-HNNXBMFYSA-N 0 1 356.378 3.539 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000178173837 932756433 /nfs/dbraw/zinc/75/64/33/932756433.db2.gz VOYIPHFMQVKEDU-IYBDPMFKSA-N 0 1 370.453 3.520 20 5 FHBDMN C[C@@H]1CC[C@@H](C)N(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001167487425 932849937 /nfs/dbraw/zinc/84/99/37/932849937.db2.gz LXSWMKFFXKYXNH-GHMZBOCLSA-N 0 1 350.806 3.919 20 5 FHBDMN C[C@H]1C[C@@H](O)CN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471803358 932974293 /nfs/dbraw/zinc/97/42/93/932974293.db2.gz GUHWYHCHUYCQOV-GXTWGEPZSA-N 0 1 362.813 3.996 20 5 FHBDMN CCN(CC)Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000610624188 933544850 /nfs/dbraw/zinc/54/48/50/933544850.db2.gz GWAZWPIQGTZBNW-UHFFFAOYSA-N 0 1 359.426 3.695 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CN(CCc3ccccc3)[C@H]3CCOC3)nc2c1 ZINC000610619443 933547785 /nfs/dbraw/zinc/54/77/85/933547785.db2.gz QILOKRRVYFAVFE-KRWDZBQOSA-N 0 1 367.405 3.570 20 5 FHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458092083 934291452 /nfs/dbraw/zinc/29/14/52/934291452.db2.gz PPIDLQPVLHYCBQ-CRAIPNDOSA-N 0 1 364.405 3.879 20 5 FHBDMN CCOc1ccc([C@H](C)NCc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000535778317 934367816 /nfs/dbraw/zinc/36/78/16/934367816.db2.gz ZHBLMDUSGSULOP-NSHDSACASA-N 0 1 372.347 3.603 20 5 FHBDMN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610890975 934561008 /nfs/dbraw/zinc/56/10/08/934561008.db2.gz AJCVBKOZKJKFDI-UHFFFAOYSA-N 0 1 354.284 3.591 20 5 FHBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000119461044 934817137 /nfs/dbraw/zinc/81/71/37/934817137.db2.gz PGYYHNGMHGWJPP-AWEZNQCLSA-N 0 1 371.466 3.916 20 5 FHBDMN Cc1ccc(C(=O)C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065535812 934961512 /nfs/dbraw/zinc/96/15/12/934961512.db2.gz NVSMJWMPCPPABS-UHFFFAOYSA-N 0 1 368.433 3.877 20 5 FHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000014227688 935017520 /nfs/dbraw/zinc/01/75/20/935017520.db2.gz SAQOUHMABMNFQA-UHFFFAOYSA-N 0 1 368.414 3.986 20 5 FHBDMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478510595 935639040 /nfs/dbraw/zinc/63/90/40/935639040.db2.gz YRNCGPGDFHVHCB-CYBMUJFWSA-N 0 1 357.410 3.721 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562045916 935705531 /nfs/dbraw/zinc/70/55/31/935705531.db2.gz KDSVBPBTQDGQFV-LJQANCHMSA-N 0 1 367.449 3.631 20 5 FHBDMN COc1cccc(C=C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000507304829 945132209 /nfs/dbraw/zinc/13/22/09/945132209.db2.gz SRZCBOSNZVQBOU-UHFFFAOYSA-N 0 1 368.389 3.629 20 5 FHBDMN COc1cc(CN2CC=CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611521149 935976687 /nfs/dbraw/zinc/97/66/87/935976687.db2.gz HIVOCSVNZSAYOF-UHFFFAOYSA-N 0 1 354.406 3.944 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000178683246 936198952 /nfs/dbraw/zinc/19/89/52/936198952.db2.gz MAPJTGXFHSWEQB-JKSUJKDBSA-N 0 1 355.438 3.601 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683936 936205002 /nfs/dbraw/zinc/20/50/02/936205002.db2.gz TUWNSXGSCHWOPO-SOUVJXGZSA-N 0 1 373.428 3.959 20 5 FHBDMN Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684270 936205679 /nfs/dbraw/zinc/20/56/79/936205679.db2.gz IJAZYVDFZGFLLV-JKSUJKDBSA-N 0 1 355.438 3.567 20 5 FHBDMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000124117202 945153359 /nfs/dbraw/zinc/15/33/59/945153359.db2.gz PFOPRCDGFQZTBG-NEPJUHHUSA-N 0 1 366.414 3.549 20 5 FHBDMN Cc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000080598120 938514493 /nfs/dbraw/zinc/51/44/93/938514493.db2.gz LZTKMJCLQASQNA-IYBDPMFKSA-N 0 1 370.453 3.520 20 5 FHBDMN Cc1cc(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000080598120 938514496 /nfs/dbraw/zinc/51/44/96/938514496.db2.gz LZTKMJCLQASQNA-IYBDPMFKSA-N 0 1 370.453 3.520 20 5 FHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000052725906 938524783 /nfs/dbraw/zinc/52/47/83/938524783.db2.gz IQUUHHNQEUUYJA-CQSZACIVSA-N 0 1 371.412 3.689 20 5 FHBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000437276288 945185414 /nfs/dbraw/zinc/18/54/14/945185414.db2.gz MEYKUSAJGQUHNM-SWLSCSKDSA-N 0 1 367.188 3.893 20 5 FHBDMN CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000506750741 945214046 /nfs/dbraw/zinc/21/40/46/945214046.db2.gz VRSWJSNKAQRFIC-IFXJQAMLSA-N 0 1 354.406 3.956 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCCC[C@H]3n3cccn3)co2)cc1 ZINC000128260667 938968346 /nfs/dbraw/zinc/96/83/46/938968346.db2.gz WKBXCHCUQQJAJD-QZTJIDSGSA-N 0 1 367.409 3.720 20 5 FHBDMN Cc1cc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611928071 938991222 /nfs/dbraw/zinc/99/12/22/938991222.db2.gz HNEQBJIAJVCZBN-BONVTDFDSA-N 0 1 355.316 3.607 20 5 FHBDMN O=C(Nc1ccc2nc[nH]c2c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000511292625 938991657 /nfs/dbraw/zinc/99/16/57/938991657.db2.gz XNNBTFVSRITLCF-UHFFFAOYSA-N 0 1 365.374 3.847 20 5 FHBDMN Cc1cc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)s1 ZINC000179373036 939098368 /nfs/dbraw/zinc/09/83/68/939098368.db2.gz FGLXEEQRVKZBGU-SJKOYZFVSA-N 0 1 359.451 3.729 20 5 FHBDMN COc1ccc([C@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C(C)C)cc1 ZINC000892469790 939220016 /nfs/dbraw/zinc/22/00/16/939220016.db2.gz XAOFYTHEACLKKT-QGZVFWFLSA-N 0 1 360.410 3.805 20 5 FHBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c2cccnc2c1C ZINC000437329428 945251956 /nfs/dbraw/zinc/25/19/56/945251956.db2.gz PBSQVSKLMDPHKY-UHFFFAOYSA-N 0 1 371.418 3.869 20 5 FHBDMN Cc1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)ccc1[N+](=O)[O-] ZINC000427318368 945268501 /nfs/dbraw/zinc/26/85/01/945268501.db2.gz BYCSGDHJHGZLKF-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000179588392 939892511 /nfs/dbraw/zinc/89/25/11/939892511.db2.gz MHMVPBLZVHAGPU-HNNXBMFYSA-N 0 1 370.796 3.685 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179671985 939913551 /nfs/dbraw/zinc/91/35/51/939913551.db2.gz DVFNZPIBNTWWRO-OAHLLOKOSA-N 0 1 371.437 3.980 20 5 FHBDMN CSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507504974 945285309 /nfs/dbraw/zinc/28/53/09/945285309.db2.gz DCYNIOLQTHCRMI-CHWSQXEVSA-N 0 1 359.451 3.995 20 5 FHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179841713 939976769 /nfs/dbraw/zinc/97/67/69/939976769.db2.gz HJJCARDIRFZBCC-UHFFFAOYSA-N 0 1 372.291 3.537 20 5 FHBDMN CC[C@@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000411389443 940041259 /nfs/dbraw/zinc/04/12/59/940041259.db2.gz PQGOXCLPTDVQIT-QGZVFWFLSA-N 0 1 362.455 3.603 20 5 FHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000612530861 940127074 /nfs/dbraw/zinc/12/70/74/940127074.db2.gz WSDWQROWVYLUPY-ZKTNFTSUSA-N 0 1 353.378 3.779 20 5 FHBDMN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H](c3ncc[nH]3)c3ccccc3)c2c1 ZINC000584493487 940207342 /nfs/dbraw/zinc/20/73/42/940207342.db2.gz XIGMDKHAOMRSBV-IBGZPJMESA-N 0 1 361.405 3.721 20 5 FHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000124824786 945322298 /nfs/dbraw/zinc/32/22/98/945322298.db2.gz CNCSSLHSWDPZDX-CQSZACIVSA-N 0 1 357.410 3.591 20 5 FHBDMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580726592 940482918 /nfs/dbraw/zinc/48/29/18/940482918.db2.gz XCWMZCWWCJYDRQ-LPHOPBHVSA-N 0 1 354.406 3.909 20 5 FHBDMN Cn1ccnc1[C@H](NC[C@H]1CCC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414201499 940754527 /nfs/dbraw/zinc/75/45/27/940754527.db2.gz SOEFKQHGDBPMAK-NZSAHSFTSA-N 0 1 354.454 3.834 20 5 FHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(Nc2ccc(F)cc2)CC1 ZINC000170650825 940764187 /nfs/dbraw/zinc/76/41/87/940764187.db2.gz IPDBPRBQCOAPHP-UHFFFAOYSA-N 0 1 359.401 3.689 20 5 FHBDMN C[C@@]1(O)CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180183940 940782288 /nfs/dbraw/zinc/78/22/88/940782288.db2.gz IGYLRKZPEZOIPI-GOSISDBHSA-N 0 1 362.813 3.997 20 5 FHBDMN CC[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257066 940845040 /nfs/dbraw/zinc/84/50/40/940845040.db2.gz LLQRASMGDWJDAY-IUODEOHRSA-N 0 1 370.375 3.986 20 5 FHBDMN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414274706 940883105 /nfs/dbraw/zinc/88/31/05/940883105.db2.gz VJAQKHXYVYFFSN-SMDDNHRTSA-N 0 1 356.348 3.596 20 5 FHBDMN CC(C)N(Cc1ccccc1)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180401168 940999607 /nfs/dbraw/zinc/99/96/07/940999607.db2.gz RULTWSQYIDIBOP-MRXNPFEDSA-N 0 1 355.438 3.683 20 5 FHBDMN C[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417908 941004684 /nfs/dbraw/zinc/00/46/84/941004684.db2.gz SZCOZUCOGWNZPW-VLIAUNLRSA-N 0 1 353.422 3.513 20 5 FHBDMN Cc1ccc(CN(C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180422786 941010315 /nfs/dbraw/zinc/01/03/15/941010315.db2.gz IATXFWWGFDCHRT-MRXNPFEDSA-N 0 1 367.449 3.745 20 5 FHBDMN C[C@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180453428 941021822 /nfs/dbraw/zinc/02/18/22/941021822.db2.gz NPHATSJWQZVTFV-NSHDSACASA-N 0 1 367.327 3.903 20 5 FHBDMN CC[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189031930 941142403 /nfs/dbraw/zinc/14/24/03/941142403.db2.gz DBDUOBSIDLXNLF-OALUTQOASA-N 0 1 371.412 3.576 20 5 FHBDMN CCS[C@H]1CCCC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189492473 941159111 /nfs/dbraw/zinc/15/91/11/941159111.db2.gz POJQVPKJNLTDHU-CABCVRRESA-N 0 1 362.455 3.799 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1c(F)cccc1F)C1CC1 ZINC000190012950 941342365 /nfs/dbraw/zinc/34/23/65/941342365.db2.gz RJHSTSYKFAOFAG-UHFFFAOYSA-N 0 1 372.331 3.554 20 5 FHBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414638306 941422009 /nfs/dbraw/zinc/42/20/09/941422009.db2.gz NVEHXWKUKYDPGD-UHFFFAOYSA-N 0 1 352.774 3.805 20 5 FHBDMN CCC[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181524056 941425839 /nfs/dbraw/zinc/42/58/39/941425839.db2.gz VDTNVFOIFMKMNX-CABCVRRESA-N 0 1 373.375 3.579 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549132002 941496329 /nfs/dbraw/zinc/49/63/29/941496329.db2.gz OXINHNSNDITTGC-KRWDZBQOSA-N 0 1 364.760 3.665 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2ccccc2)CC1 ZINC000066763924 941515958 /nfs/dbraw/zinc/51/59/58/941515958.db2.gz RMLYHQRYVNCBSW-HNNXBMFYSA-N 0 1 364.405 3.881 20 5 FHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000412081764 941704599 /nfs/dbraw/zinc/70/45/99/941704599.db2.gz RSGZCHKWCAFOGJ-LSDHHAIUSA-N 0 1 374.441 3.717 20 5 FHBDMN Cc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc([N+](=O)[O-])c1 ZINC000128338192 941795908 /nfs/dbraw/zinc/79/59/08/941795908.db2.gz VJBXPNJNGJMKJI-UHFFFAOYSA-N 0 1 371.462 3.704 20 5 FHBDMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000513272575 941825081 /nfs/dbraw/zinc/82/50/81/941825081.db2.gz RKIDHVOLXQOYOJ-BEFAXECRSA-N 0 1 365.433 3.567 20 5 FHBDMN CCN(Cc1cccc(Cl)c1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433677441 941830183 /nfs/dbraw/zinc/83/01/83/941830183.db2.gz AEFWXKMNXQJFRG-UHFFFAOYSA-N 0 1 350.806 3.757 20 5 FHBDMN Cc1cc(N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000433788365 941898078 /nfs/dbraw/zinc/89/80/78/941898078.db2.gz FESROQLKMSHUMU-MEDUHNTESA-N 0 1 369.343 3.591 20 5 FHBDMN Cc1cc(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000433788366 941898126 /nfs/dbraw/zinc/89/81/26/941898126.db2.gz FESROQLKMSHUMU-ZBEGNZNMSA-N 0 1 369.343 3.591 20 5 FHBDMN Cc1cn(CN(C2CC2)C2CCCCC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708244 941910845 /nfs/dbraw/zinc/91/08/45/941910845.db2.gz YYHPEMZGCNBLRB-UHFFFAOYSA-N 0 1 370.453 3.610 20 5 FHBDMN Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000182911022 941986221 /nfs/dbraw/zinc/98/62/21/941986221.db2.gz OGMVBGJVIAJCTK-UHFFFAOYSA-N 0 1 365.183 3.932 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000433985179 942024485 /nfs/dbraw/zinc/02/44/85/942024485.db2.gz UHPUGBRLNSJSJO-OAHLLOKOSA-N 0 1 356.426 3.679 20 5 FHBDMN COCCC1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000513671587 942066349 /nfs/dbraw/zinc/06/63/49/942066349.db2.gz DABMEAVMUYPEFD-GOSISDBHSA-N 0 1 372.469 3.604 20 5 FHBDMN COc1ccc(COC(=O)c2[nH]c(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000728726594 942101101 /nfs/dbraw/zinc/10/11/01/942101101.db2.gz YPZLORUKJGWAOE-UHFFFAOYSA-N 0 1 367.361 3.659 20 5 FHBDMN Cn1ccnc1[C@@H](NC[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502337850 942367959 /nfs/dbraw/zinc/36/79/59/942367959.db2.gz YKQNKCBUJSBXMQ-BBRMVZONSA-N 0 1 364.396 3.833 20 5 FHBDMN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)c2c1 ZINC000413217106 942490758 /nfs/dbraw/zinc/49/07/58/942490758.db2.gz XIQGIYDNFVCSFI-AWEZNQCLSA-N 0 1 364.409 3.523 20 5 FHBDMN O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c2c1 ZINC000413217106 942490762 /nfs/dbraw/zinc/49/07/62/942490762.db2.gz XIQGIYDNFVCSFI-AWEZNQCLSA-N 0 1 364.409 3.523 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000434242289 942542523 /nfs/dbraw/zinc/54/25/23/942542523.db2.gz LHCIKUMHKBCWQC-FZMZJTMJSA-N 0 1 360.389 3.804 20 5 FHBDMN CC[C@@H]1C[C@]1(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502566830 942548009 /nfs/dbraw/zinc/54/80/09/942548009.db2.gz SJVXDCKNQDAHAG-IIBYNOLFSA-N 0 1 367.449 3.781 20 5 FHBDMN Cc1c(NC(=O)CCN[C@@H](C)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000181587044 942775638 /nfs/dbraw/zinc/77/56/38/942775638.db2.gz CYCAUBRLPUWWSH-LBPRGKRZSA-N 0 1 363.364 3.861 20 5 FHBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000434184040 942900116 /nfs/dbraw/zinc/90/01/16/942900116.db2.gz QHSGCGBATYSNRC-INIZCTEOSA-N 0 1 370.453 3.851 20 5 FHBDMN CCOc1cc(CN2CCC(c3ccnn3CC)CC2)ccc1[N+](=O)[O-] ZINC000434797293 942961348 /nfs/dbraw/zinc/96/13/48/942961348.db2.gz XYJPCBGEGCQMKL-UHFFFAOYSA-N 0 1 358.442 3.590 20 5 FHBDMN Cn1ccnc1[C@H](NCC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000503086569 942969728 /nfs/dbraw/zinc/96/97/28/942969728.db2.gz IVNJNTJALYPYIW-MRXNPFEDSA-N 0 1 364.396 3.833 20 5 FHBDMN Cc1cnc(OCc2nc3ccc(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000185560710 943185863 /nfs/dbraw/zinc/18/58/63/943185863.db2.gz NKOKZPSHVCFARJ-UHFFFAOYSA-N 0 1 363.171 3.516 20 5 FHBDMN C[C@@H](O)CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549464171 943336606 /nfs/dbraw/zinc/33/66/06/943336606.db2.gz LGRPHRFIWDRTMZ-CYBMUJFWSA-N 0 1 368.355 3.997 20 5 FHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000514910374 943381707 /nfs/dbraw/zinc/38/17/07/943381707.db2.gz SHMSUYZMGSEKLC-SJKNXKOVSA-N 0 1 358.360 3.633 20 5 FHBDMN C[C@@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503937168 943425878 /nfs/dbraw/zinc/42/58/78/943425878.db2.gz LGMWJJCNVLFVRP-UZLBHIALSA-N 0 1 363.417 3.849 20 5 FHBDMN COCCOc1ncccc1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332747 943520604 /nfs/dbraw/zinc/52/06/04/943520604.db2.gz XRNFELRRLCJEEH-LJQANCHMSA-N 0 1 371.437 3.572 20 5 FHBDMN Cn1nc2c(c1CN[C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000417350360 943529192 /nfs/dbraw/zinc/52/91/92/943529192.db2.gz PORIWOYNSKPJGY-GOSISDBHSA-N 0 1 354.454 3.764 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1 ZINC000505730176 943874837 /nfs/dbraw/zinc/87/48/37/943874837.db2.gz VAGMUFPMYIRRQW-UHFFFAOYSA-N 0 1 352.346 3.736 20 5 FHBDMN Cc1c(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000504913349 943909607 /nfs/dbraw/zinc/90/96/07/943909607.db2.gz DRKQOXMEZUOVAP-QGZVFWFLSA-N 0 1 368.437 3.689 20 5 FHBDMN COc1ccc(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC000505737560 943913523 /nfs/dbraw/zinc/91/35/23/943913523.db2.gz YPYVIUCBHZBAFW-UHFFFAOYSA-N 0 1 371.374 3.685 20 5 FHBDMN CSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500235864 944315960 /nfs/dbraw/zinc/31/59/60/944315960.db2.gz ZPEOBTOZUYDKOP-QWHCGFSZSA-N 0 1 359.451 3.995 20 5 FHBDMN Cc1cc(F)cc(C(=O)Nc2ccc(Br)cc2O)c1[N+](=O)[O-] ZINC000123269357 944322294 /nfs/dbraw/zinc/32/22/94/944322294.db2.gz AXNXRYCDXVUDCP-UHFFFAOYSA-N 0 1 369.146 3.763 20 5 FHBDMN COCCn1c2ccccc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436475172 944356217 /nfs/dbraw/zinc/35/62/17/944356217.db2.gz SIGBNLAIHUJNFX-UHFFFAOYSA-N 0 1 359.407 3.589 20 5 FHBDMN COc1cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c([N+](=O)[O-])cc1F ZINC000184270716 944374057 /nfs/dbraw/zinc/37/40/57/944374057.db2.gz OQLSZBFEKLPESR-LJQANCHMSA-N 0 1 374.412 3.516 20 5 FHBDMN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506198792 944459432 /nfs/dbraw/zinc/45/94/32/944459432.db2.gz KWTOEIXCNFNOOH-HIFRSBDPSA-N 0 1 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QQGAHWDWJKNJKC-OAHLLOKOSA-N 0 1 356.426 3.901 20 5 FHBDMN C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372539 946446090 /nfs/dbraw/zinc/44/60/90/946446090.db2.gz FSMAKSBWASNJDO-WBMJQRKESA-N 0 1 359.813 3.704 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CNC[C@@]3(c4ccccc4)CCCO3)nc2c1 ZINC000897233646 946978802 /nfs/dbraw/zinc/97/88/02/946978802.db2.gz YCQGFABTJOWKRD-LJQANCHMSA-N 0 1 353.378 3.532 20 5 FHBDMN CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(O)cc([N+](=O)[O-])c3)oc21 ZINC000475386655 947003550 /nfs/dbraw/zinc/00/35/50/947003550.db2.gz JOEBHYGSZACISR-LLVKDONJSA-N 0 1 370.361 3.936 20 5 FHBDMN CCc1nn(C)c(CC)c1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278854846 947088518 /nfs/dbraw/zinc/08/85/18/947088518.db2.gz XGYXVHGHXPMVPC-UHFFFAOYSA-N 0 1 370.375 3.762 20 5 FHBDMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072837917 947569748 /nfs/dbraw/zinc/56/97/48/947569748.db2.gz SIKSWPLBCHTDJV-STQMWFEESA-N 0 1 371.890 3.793 20 5 FHBDMN CC(C)Oc1c(Cl)cccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432334231 948141436 /nfs/dbraw/zinc/14/14/36/948141436.db2.gz FQPMTXWQYBFNGJ-UHFFFAOYSA-N 0 1 350.758 3.993 20 5 FHBDMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000574735028 948420087 /nfs/dbraw/zinc/42/00/87/948420087.db2.gz LCQDRPPFQANUEC-UVDFWXMISA-N 0 1 372.469 3.623 20 5 FHBDMN C[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000512165029 948602526 /nfs/dbraw/zinc/60/25/26/948602526.db2.gz KQDDACKIDOVSHM-KBXCAEBGSA-N 0 1 353.422 3.667 20 5 FHBDMN COc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000574854958 948634208 /nfs/dbraw/zinc/63/42/08/948634208.db2.gz FYDUTTBXXQFIJC-KYJSFNMBSA-N 0 1 366.433 3.648 20 5 FHBDMN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000016468635 210153754 /nfs/dbraw/zinc/15/37/54/210153754.db2.gz LAEPHCAWAXGZQS-KRWDZBQOSA-N 0 1 373.478 3.859 20 5 FHBDMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 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DTMQRXNJLUZAFG-ZDUSSCGKSA-N 0 1 374.420 3.679 20 5 FHBDMN O=[N+]([O-])c1cnc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(F)c1 ZINC000570057390 568440560 /nfs/dbraw/zinc/44/05/60/568440560.db2.gz DTMQRXNJLUZAFG-ZDUSSCGKSA-N 0 1 374.420 3.679 20 5 FHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000570173716 568455074 /nfs/dbraw/zinc/45/50/74/568455074.db2.gz LTKWWVSSJJQCBU-CYBMUJFWSA-N 0 1 351.328 3.998 20 5 FHBDMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000570419555 568475379 /nfs/dbraw/zinc/47/53/79/568475379.db2.gz JBEZQKAHGOYVEB-UHFFFAOYSA-N 0 1 367.203 3.765 20 5 FHBDMN Cc1c(NC(=O)CCN2Cc3ccccc3OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000542012729 568503219 /nfs/dbraw/zinc/50/32/19/568503219.db2.gz KVEMOZBOVUTRBS-AWEZNQCLSA-N 0 1 369.421 3.515 20 5 FHBDMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000736584095 600402069 /nfs/dbraw/zinc/40/20/69/600402069.db2.gz PBDYVEUAYBDPOU-ZDUSSCGKSA-N 0 1 362.813 3.971 20 5 FHBDMN Cc1cc(N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515851194 602315303 /nfs/dbraw/zinc/31/53/03/602315303.db2.gz NFSBLRKLBVOVLI-LBPRGKRZSA-N 0 1 372.425 3.522 20 5 FHBDMN C[C@@H](Oc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)C(=O)[O-] ZINC000833537060 604534935 /nfs/dbraw/zinc/53/49/35/604534935.db2.gz HAIWRJMDZDNMFB-CQSZACIVSA-N 0 1 370.405 3.611 20 5 FHBDMN Cc1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164992847 722192227 /nfs/dbraw/zinc/19/22/27/722192227.db2.gz BFLSODHNXDDRAT-FQEVSTJZSA-N 0 1 370.428 3.682 20 5 FHBDMN Cc1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164993895 722195761 /nfs/dbraw/zinc/19/57/61/722195761.db2.gz IWCUIQWYSQVWQH-HXUWFJFHSA-N 0 1 370.428 3.682 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000430200119 927938821 /nfs/dbraw/zinc/93/88/21/927938821.db2.gz FQUXJAOUOWZFTJ-FQEVSTJZSA-N 0 1 354.406 3.625 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000430211293 928131164 /nfs/dbraw/zinc/13/11/64/928131164.db2.gz XMVAKLVRXJYKLP-HXUWFJFHSA-N 0 1 370.449 3.865 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000430235165 928374115 /nfs/dbraw/zinc/37/41/15/928374115.db2.gz XUZSLEPXGVCRRQ-AEFFLSMTSA-N 0 1 364.348 3.501 20 5 FHBDMN COCCOc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000127059210 928456729 /nfs/dbraw/zinc/45/67/29/928456729.db2.gz FYDHNTMZRNFGAK-UHFFFAOYSA-N 0 1 356.422 3.785 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000157737427 928797618 /nfs/dbraw/zinc/79/76/18/928797618.db2.gz XHYUHENYVPYARJ-UHFFFAOYSA-N 0 1 373.390 3.613 20 5 FHBDMN COc1cc(Br)c(F)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397526 929748035 /nfs/dbraw/zinc/74/80/35/929748035.db2.gz DWTLCBZIDRUQHR-UHFFFAOYSA-N 0 1 357.135 3.954 20 5 FHBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1 ZINC000610390266 930297339 /nfs/dbraw/zinc/29/73/39/930297339.db2.gz OXFFLJXPBLCUKL-UHFFFAOYSA-N 0 1 371.437 3.763 20 5 FHBDMN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001125434312 930434844 /nfs/dbraw/zinc/43/48/44/930434844.db2.gz UNGMBQPXKCTPRL-HZPDHXFCSA-N 0 1 362.426 3.956 20 5 FHBDMN CCC[C@@H](NCC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119104939 930675016 /nfs/dbraw/zinc/67/50/16/930675016.db2.gz ABKBIPHSUYUWHQ-LJQANCHMSA-N 0 1 355.438 3.684 20 5 FHBDMN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046358277 930775370 /nfs/dbraw/zinc/77/53/70/930775370.db2.gz RCRYJHLRIMJDIA-VIFPVBQESA-N 0 1 360.320 3.583 20 5 FHBDMN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000610445638 930809118 /nfs/dbraw/zinc/80/91/18/930809118.db2.gz AHGPHUXVPDKYGX-QGZVFWFLSA-N 0 1 367.449 3.640 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c1 ZINC000610446420 930818706 /nfs/dbraw/zinc/81/87/06/930818706.db2.gz YKNMJNRITMVULC-QGZVFWFLSA-N 0 1 367.449 3.640 20 5 FHBDMN COc1cc(CN2CCC[C@@H]2Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC 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O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548452834 933926329 /nfs/dbraw/zinc/92/63/29/933926329.db2.gz LALXXGRVRAUFKM-UHFFFAOYSA-N 0 1 365.345 3.527 20 5 FHBDMN CN(Cc1csc(Br)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092220095 933980685 /nfs/dbraw/zinc/98/06/85/933980685.db2.gz UZDFQPHXXVVEJY-UHFFFAOYSA-N 0 1 357.229 3.756 20 5 FHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458092086 934291616 /nfs/dbraw/zinc/29/16/16/934291616.db2.gz PPIDLQPVLHYCBQ-YJBOKZPZSA-N 0 1 364.405 3.879 20 5 FHBDMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000535819040 934478111 /nfs/dbraw/zinc/47/81/11/934478111.db2.gz TWYBRMBOAPOJAV-GHMZBOCLSA-N 0 1 368.368 3.758 20 5 FHBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263389735 935201944 /nfs/dbraw/zinc/20/19/44/935201944.db2.gz DWCLPEZORDZHIZ-OAHLLOKOSA-N 0 1 364.785 3.947 20 5 FHBDMN O=[N+]([O-])c1ccc(CCN(Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1 ZINC000611575010 935246220 /nfs/dbraw/zinc/24/62/20/935246220.db2.gz BEEQBCICHYNTKY-QGZVFWFLSA-N 0 1 368.355 3.563 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000511084809 935345048 /nfs/dbraw/zinc/34/50/48/935345048.db2.gz GJTNOMLCRNJTSA-INIZCTEOSA-N 0 1 359.451 3.532 20 5 FHBDMN CC(C)CN1Cc2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2C1 ZINC000158322801 935731695 /nfs/dbraw/zinc/73/16/95/935731695.db2.gz UWESBRJHWNHXJJ-UHFFFAOYSA-N 0 1 353.422 3.748 20 5 FHBDMN Cn1c(CNC/C=C\c2ccccc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000479411295 935837031 /nfs/dbraw/zinc/83/70/31/935837031.db2.gz ABKYZZZBVMOLAX-ALCCZGGFSA-N 0 1 356.813 3.938 20 5 FHBDMN CCC[C@H](N[C@@H](C)C(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000479534980 935855258 /nfs/dbraw/zinc/85/52/58/935855258.db2.gz YKWUDEOZHANTKQ-YWZLYKJASA-N 0 1 367.449 3.957 20 5 FHBDMN C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654800 936087166 /nfs/dbraw/zinc/08/71/66/936087166.db2.gz MPSVTKPARMDJNP-BLLLJJGKSA-N 0 1 359.813 3.704 20 5 FHBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)c1[N+](=O)[O-] ZINC000519123810 945146099 /nfs/dbraw/zinc/14/60/99/945146099.db2.gz YNEUONDHKJWXDZ-UHFFFAOYSA-N 0 1 362.817 3.865 20 5 FHBDMN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679331 936169482 /nfs/dbraw/zinc/16/94/82/936169482.db2.gz HYJCQCYHSHJUEG-GJZGRUSLSA-N 0 1 371.437 3.898 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000178680235 936172357 /nfs/dbraw/zinc/17/23/57/936172357.db2.gz CYRLDHYZMQZRBC-VXGBXAGGSA-N 0 1 363.364 3.859 20 5 FHBDMN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178684160 936204959 /nfs/dbraw/zinc/20/49/59/936204959.db2.gz BOKRIIOFXFGYAJ-HOTGVXAUSA-N 0 1 355.438 3.995 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178690576 936206998 /nfs/dbraw/zinc/20/69/98/936206998.db2.gz RIVMUVJABRSDDA-HUUCEWRRSA-N 0 1 373.428 3.740 20 5 FHBDMN CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)ccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509591456 945163295 /nfs/dbraw/zinc/16/32/95/945163295.db2.gz IXKVJDGHGFZMCH-OXJNMPFZSA-N 0 1 371.485 3.546 20 5 FHBDMN C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000583567438 938305476 /nfs/dbraw/zinc/30/54/76/938305476.db2.gz XZNYBJSGQBQUTE-IBGZPJMESA-N 0 1 369.421 3.616 20 5 FHBDMN Cc1cc([N+](=O)[O-])cnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000110932050 945176719 /nfs/dbraw/zinc/17/67/19/945176719.db2.gz PXFVHNJXNYEPGL-UHFFFAOYSA-N 0 1 360.845 3.664 20 5 FHBDMN COc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC ZINC000278635381 938604844 /nfs/dbraw/zinc/60/48/44/938604844.db2.gz FURVYTXXUYIGEP-UHFFFAOYSA-N 0 1 370.327 3.921 20 5 FHBDMN CCN(Cc1ccccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106268964 945200821 /nfs/dbraw/zinc/20/08/21/945200821.db2.gz HFDGCEABSNQFKO-MRXNPFEDSA-N 0 1 364.829 3.510 20 5 FHBDMN Cc1cc(N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611919004 938984865 /nfs/dbraw/zinc/98/48/65/938984865.db2.gz HABWUYNLVYEYMN-LLVKDONJSA-N 0 1 363.377 3.628 20 5 FHBDMN C[C@H]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001211734421 939001046 /nfs/dbraw/zinc/00/10/46/939001046.db2.gz KZRFCXIMSBGLQQ-DTWKUNHWSA-N 0 1 367.254 3.616 20 5 FHBDMN Cc1cc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)s1 ZINC000179373062 939098051 /nfs/dbraw/zinc/09/80/51/939098051.db2.gz FGLXEEQRVKZBGU-PXAZEXFGSA-N 0 1 359.451 3.729 20 5 FHBDMN Cc1cc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)s1 ZINC000179373074 939098278 /nfs/dbraw/zinc/09/82/78/939098278.db2.gz FGLXEEQRVKZBGU-SJCJKPOMSA-N 0 1 359.451 3.729 20 5 FHBDMN Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516773361 945228835 /nfs/dbraw/zinc/22/88/35/945228835.db2.gz QEPBYWKOJPUWLP-CQSZACIVSA-N 0 1 357.410 3.534 20 5 FHBDMN COc1ccc(C)cc1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000102692015 939184677 /nfs/dbraw/zinc/18/46/77/939184677.db2.gz AGAACPKZAATLMZ-AWEZNQCLSA-N 0 1 357.410 3.510 20 5 FHBDMN COc1ccc([C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)C)cc1 ZINC000516796594 945252788 /nfs/dbraw/zinc/25/27/88/945252788.db2.gz MIFUPSBDWFIHBM-IBGZPJMESA-N 0 1 354.410 3.967 20 5 FHBDMN Cc1cc(C(=O)NC2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000093009329 939970071 /nfs/dbraw/zinc/97/00/71/939970071.db2.gz ARZZCCZLOMMJNG-UHFFFAOYSA-N 0 1 371.437 3.507 20 5 FHBDMN CSc1ccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000431647730 940002303 /nfs/dbraw/zinc/00/23/03/940002303.db2.gz FPBQUKUIRNFFNW-UHFFFAOYSA-N 0 1 371.422 3.511 20 5 FHBDMN COc1ccc(-c2n[nH]c(S/C=C/c3ccc([N+](=O)[O-])o3)n2)c(OC)c1 ZINC000066006008 940182397 /nfs/dbraw/zinc/18/23/97/940182397.db2.gz ZKZSQDPVJJURTR-BQYQJAHWSA-N 0 1 374.378 3.753 20 5 FHBDMN Cn1ccnc1[C@@H](NC1CCC(C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414183970 940725208 /nfs/dbraw/zinc/72/52/08/940725208.db2.gz NOOQGCTVFJDPFC-PXCJXSSVSA-N 0 1 364.396 3.831 20 5 FHBDMN CCCN(CC(=O)N(C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000511508483 940975582 /nfs/dbraw/zinc/97/55/82/940975582.db2.gz YIJFLUMLBSZXFN-UHFFFAOYSA-N 0 1 361.467 3.624 20 5 FHBDMN C[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417941 941004866 /nfs/dbraw/zinc/00/48/66/941004866.db2.gz SZCOZUCOGWNZPW-JLTOFOAXSA-N 0 1 353.422 3.513 20 5 FHBDMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180403745 941005559 /nfs/dbraw/zinc/00/55/59/941005559.db2.gz QUPGMCYNJOVHPQ-ZIAGYGMSSA-N 0 1 359.401 3.604 20 5 FHBDMN CC(C)[C@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180435499 941014281 /nfs/dbraw/zinc/01/42/81/941014281.db2.gz LYAOFONAUSXDHH-YWZLYKJASA-N 0 1 355.438 3.759 20 5 FHBDMN C[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180438934 941014742 /nfs/dbraw/zinc/01/47/42/941014742.db2.gz GTCUWBWLRMQTMS-LLVKDONJSA-N 0 1 367.327 3.903 20 5 FHBDMN CCN(C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000180446797 941017995 /nfs/dbraw/zinc/01/79/95/941017995.db2.gz OWIGCYAXZYAWJL-CABCVRRESA-N 0 1 373.428 3.994 20 5 FHBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000180955752 941096991 /nfs/dbraw/zinc/09/69/91/941096991.db2.gz KQRXWNUEURLQLM-UHFFFAOYSA-N 0 1 363.333 3.566 20 5 FHBDMN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCN(c3ccccn3)C2)c2ccccc2)c1 ZINC000181012421 941102948 /nfs/dbraw/zinc/10/29/48/941102948.db2.gz CPMOOALNSODZQJ-SIKLNZKXSA-N 0 1 374.444 3.948 20 5 FHBDMN CC(=O)c1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000311684175 941360152 /nfs/dbraw/zinc/36/01/52/941360152.db2.gz JGEREOGQGVLVKL-SFHVURJKSA-N 0 1 353.422 3.508 20 5 FHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ccc3c(c2)CCCN3)c1 ZINC000414968369 941527663 /nfs/dbraw/zinc/52/76/63/941527663.db2.gz CIWRQJGHUFBZSY-UHFFFAOYSA-N 0 1 363.364 3.844 20 5 FHBDMN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000513227764 941798110 /nfs/dbraw/zinc/79/81/10/941798110.db2.gz GCJYSBJXAKLWDX-MGPUTAFESA-N 0 1 365.433 3.567 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513275779 941826162 /nfs/dbraw/zinc/82/61/62/941826162.db2.gz KCCOKIHWRSJJKU-IFXJQAMLSA-N 0 1 353.422 3.925 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000433774003 941892092 /nfs/dbraw/zinc/89/20/92/941892092.db2.gz JQATXORCOVHWCU-MLGOLLRUSA-N 0 1 374.466 3.760 20 5 FHBDMN COc1ccccc1-n1nccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000430019629 941988997 /nfs/dbraw/zinc/98/89/97/941988997.db2.gz HUFPBOJVIIWPIA-HNNXBMFYSA-N 0 1 366.421 3.948 20 5 FHBDMN Cc1ccc(OC2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1C ZINC000549367464 942063921 /nfs/dbraw/zinc/06/39/21/942063921.db2.gz XJUWELINEZQBJF-UHFFFAOYSA-N 0 1 356.422 3.961 20 5 FHBDMN CC(C)Oc1cc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000412295188 942074136 /nfs/dbraw/zinc/07/41/36/942074136.db2.gz UBXOUXJTJQUVJF-UHFFFAOYSA-N 0 1 374.441 3.675 20 5 FHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000728724683 942088539 /nfs/dbraw/zinc/08/85/39/942088539.db2.gz DMRYHFFFVIIRFO-UHFFFAOYSA-N 0 1 367.361 3.529 20 5 FHBDMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2C1 ZINC000183392965 942172723 /nfs/dbraw/zinc/17/27/23/942172723.db2.gz OLSKPTXALGVDGF-UHFFFAOYSA-N 0 1 355.394 3.524 20 5 FHBDMN O=[N+]([O-])c1ccc2ccnc(NCCN3CCc4sccc4C3)c2c1 ZINC000413072767 942259782 /nfs/dbraw/zinc/25/97/82/942259782.db2.gz NTDFKMOEVQDGOL-UHFFFAOYSA-N 0 1 354.435 3.675 20 5 FHBDMN O=[N+]([O-])c1cc2c(cc1CNCc1ccc(C3CCC3)cc1)OCCO2 ZINC000617267997 942313280 /nfs/dbraw/zinc/31/32/80/942313280.db2.gz LHWGMRKVOLSDSO-UHFFFAOYSA-N 0 1 354.406 3.923 20 5 FHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000181581622 942341939 /nfs/dbraw/zinc/34/19/39/942341939.db2.gz SHISUKSRBWOGEL-MNOVXSKESA-N 0 1 363.801 3.632 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425035240 942511857 /nfs/dbraw/zinc/51/18/57/942511857.db2.gz HLJDKGVMZUIPLG-UHFFFAOYSA-N 0 1 374.466 3.769 20 5 FHBDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421361030 942514202 /nfs/dbraw/zinc/51/42/02/942514202.db2.gz KCDPSHXHKFNLCI-ZBFHGGJFSA-N 0 1 374.412 3.977 20 5 FHBDMN Cc1ccc(C(C)(C)CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434251258 942550049 /nfs/dbraw/zinc/55/00/49/942550049.db2.gz VCBVTPKKLPEXPX-UHFFFAOYSA-N 0 1 358.442 3.800 20 5 FHBDMN CSc1ccccc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000501560444 942550063 /nfs/dbraw/zinc/55/00/63/942550063.db2.gz IMJUQDJXIYHCCD-CYBMUJFWSA-N 0 1 359.451 3.914 20 5 FHBDMN COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000413246423 942560903 /nfs/dbraw/zinc/56/09/03/942560903.db2.gz ZNDRTHQCHVRMNN-MSOLQXFVSA-N 0 1 372.400 3.527 20 5 FHBDMN CCN(CCNc1nccc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000413257387 942568314 /nfs/dbraw/zinc/56/83/14/942568314.db2.gz FHOJYNDLXVOWPC-UHFFFAOYSA-N 0 1 356.348 3.829 20 5 FHBDMN O=[N+]([O-])c1ccc2ccnc(NC3CCN(Cc4cccnc4)CC3)c2c1 ZINC000413258107 942569595 /nfs/dbraw/zinc/56/95/95/942569595.db2.gz DQRHFFZFFSJUDN-UHFFFAOYSA-N 0 1 363.421 3.615 20 5 FHBDMN COc1c(O)ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000893223172 942708201 /nfs/dbraw/zinc/70/82/01/942708201.db2.gz XRWIVPQEMKLYBK-YOEHRIQHSA-N 0 1 372.421 3.567 20 5 FHBDMN C[C@H](N[C@@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466756 942796408 /nfs/dbraw/zinc/79/64/08/942796408.db2.gz MMILVWBCOUHMFW-IFXJQAMLSA-N 0 1 368.437 3.838 20 5 FHBDMN Cc1ccccc1[C@]1(F)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000502874617 942806347 /nfs/dbraw/zinc/80/63/47/942806347.db2.gz HZVQJTKRIFVAKV-FQEVSTJZSA-N 0 1 371.412 3.803 20 5 FHBDMN Cc1ccccc1[C@]1(F)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000502874617 942806351 /nfs/dbraw/zinc/80/63/51/942806351.db2.gz HZVQJTKRIFVAKV-FQEVSTJZSA-N 0 1 371.412 3.803 20 5 FHBDMN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505457454 942836222 /nfs/dbraw/zinc/83/62/22/942836222.db2.gz LETFFULIPLBSNB-UHFFFAOYSA-N 0 1 355.177 3.879 20 5 FHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000505592107 943110624 /nfs/dbraw/zinc/11/06/24/943110624.db2.gz WRNSOGBCXWYIHR-HNNXBMFYSA-N 0 1 372.425 3.600 20 5 FHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503380813 943157477 /nfs/dbraw/zinc/15/74/77/943157477.db2.gz WJBFINNJOUQVBT-AWEZNQCLSA-N 0 1 358.417 3.646 20 5 FHBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414680847 943230528 /nfs/dbraw/zinc/23/05/28/943230528.db2.gz LSXPYFDCWGZWLL-GFCCVEGCSA-N 0 1 362.382 3.549 20 5 FHBDMN Cc1ccc(C=Cc2n[nH]c(SCCOc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000514746285 943275627 /nfs/dbraw/zinc/27/56/27/943275627.db2.gz FGUNTUUBWNEULK-CMDGGOBGSA-N 0 1 372.406 3.956 20 5 FHBDMN CC[C@@H](CSc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000504787475 943795073 /nfs/dbraw/zinc/79/50/73/943795073.db2.gz TXXIBCWBKPXUKM-LBPRGKRZSA-N 0 1 370.434 3.772 20 5 FHBDMN CC[C@H](CSc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000504787474 943795321 /nfs/dbraw/zinc/79/53/21/943795321.db2.gz TXXIBCWBKPXUKM-GFCCVEGCSA-N 0 1 370.434 3.772 20 5 FHBDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000516900057 943816947 /nfs/dbraw/zinc/81/69/47/943816947.db2.gz VRBBZIWYWWYXLF-UHFFFAOYSA-N 0 1 370.814 3.504 20 5 FHBDMN Cc1ccc(-c2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]n2)cc1C ZINC000435942630 943859963 /nfs/dbraw/zinc/85/99/63/943859963.db2.gz CEEXFKWNANHNJA-UHFFFAOYSA-N 0 1 362.389 3.805 20 5 FHBDMN CCCCc1nc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000506092911 944007747 /nfs/dbraw/zinc/00/77/47/944007747.db2.gz AKTQAHBBQIMXCP-UHFFFAOYSA-N 0 1 354.366 3.772 20 5 FHBDMN CCCCc1nc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000506092911 944007754 /nfs/dbraw/zinc/00/77/54/944007754.db2.gz AKTQAHBBQIMXCP-UHFFFAOYSA-N 0 1 354.366 3.772 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000515629757 944063131 /nfs/dbraw/zinc/06/31/31/944063131.db2.gz KJNCRYCJSYNYAS-UHFFFAOYSA-N 0 1 361.404 3.519 20 5 FHBDMN CCCOc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000505787323 944187254 /nfs/dbraw/zinc/18/72/54/944187254.db2.gz NRAAJZGRMSTUBS-UHFFFAOYSA-N 0 1 350.758 3.995 20 5 FHBDMN CC(C)Oc1ccccc1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517356848 944240096 /nfs/dbraw/zinc/24/00/96/944240096.db2.gz NPUCSIDZCSPGNE-LBPRGKRZSA-N 0 1 368.393 3.749 20 5 FHBDMN O=C(NC(c1cccs1)c1cccs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506473266 944295195 /nfs/dbraw/zinc/29/51/95/944295195.db2.gz XCOJBXDTXJQHII-UHFFFAOYSA-N 0 1 360.416 3.943 20 5 FHBDMN CC(C)(C)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000506176291 944341146 /nfs/dbraw/zinc/34/11/46/944341146.db2.gz WTDMRLZRGXFUEW-UHFFFAOYSA-N 0 1 360.414 3.802 20 5 FHBDMN Cn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1ccccc1F ZINC000436474499 944354691 /nfs/dbraw/zinc/35/46/91/944354691.db2.gz LNQAHNCFLIPKQN-UHFFFAOYSA-N 0 1 360.370 3.527 20 5 FHBDMN Cc1ccccc1-c1nnc(SCc2cc(O)ccc2[N+](=O)[O-])n1C ZINC000436475778 944356970 /nfs/dbraw/zinc/35/69/70/944356970.db2.gz PZJBGXIUTYELIJ-UHFFFAOYSA-N 0 1 356.407 3.697 20 5 FHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Cl)c1 ZINC000439189338 944412748 /nfs/dbraw/zinc/41/27/48/944412748.db2.gz SSAZPJAAYOYMRY-JTQLQIEISA-N 0 1 371.784 3.776 20 5 FHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Cl)c1 ZINC000439189340 944412941 /nfs/dbraw/zinc/41/29/41/944412941.db2.gz SSAZPJAAYOYMRY-SNVBAGLBSA-N 0 1 371.784 3.776 20 5 FHBDMN COc1cc(CN2CCC(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505859013 944507633 /nfs/dbraw/zinc/50/76/33/944507633.db2.gz OCVKXUDRMNZDAS-UHFFFAOYSA-N 0 1 362.348 3.776 20 5 FHBDMN Cc1nc([C@@H](C)NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000894771757 944569468 /nfs/dbraw/zinc/56/94/68/944569468.db2.gz UVOCTRZUPOARPN-CYBMUJFWSA-N 0 1 366.425 3.640 20 5 FHBDMN C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000516184498 944574656 /nfs/dbraw/zinc/57/46/56/944574656.db2.gz SRPMHMJSKPLSIG-LJQANCHMSA-N 0 1 358.369 3.677 20 5 FHBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(O)c(Cl)c1 ZINC000436814569 944672080 /nfs/dbraw/zinc/67/20/80/944672080.db2.gz IADUXPJQJVWCRV-UHFFFAOYSA-N 0 1 374.702 3.903 20 5 FHBDMN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506611572 944741661 /nfs/dbraw/zinc/74/16/61/944741661.db2.gz DGDWXSWEDWXOCK-CYBMUJFWSA-N 0 1 374.702 3.987 20 5 FHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506917193 944746497 /nfs/dbraw/zinc/74/64/97/944746497.db2.gz MMEORGCNLUCJCN-UHFFFAOYSA-N 0 1 360.317 3.701 20 5 FHBDMN COC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000506278819 944775031 /nfs/dbraw/zinc/77/50/31/944775031.db2.gz BDOKVQGWEWNYKF-UHFFFAOYSA-N 0 1 355.438 3.974 20 5 FHBDMN COC(=O)C1(c2ccccc2)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000506652406 944884892 /nfs/dbraw/zinc/88/48/92/944884892.db2.gz FIAOURYQBAMNBI-UHFFFAOYSA-N 0 1 368.433 3.610 20 5 FHBDMN CCCC(=O)Nc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000505969087 945027449 /nfs/dbraw/zinc/02/74/49/945027449.db2.gz AZJRBIMILZYTKS-UHFFFAOYSA-N 0 1 357.366 3.600 20 5 FHBDMN CCCN(Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000507225788 945057419 /nfs/dbraw/zinc/05/74/19/945057419.db2.gz FGGROPYYWWRBRY-UHFFFAOYSA-N 0 1 362.348 3.919 20 5 FHBDMN CC[C@H](CC(F)(F)F)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000546179767 945628235 /nfs/dbraw/zinc/62/82/35/945628235.db2.gz LWVQVWWDLJLZPI-DTWKUNHWSA-N 0 1 367.755 3.896 20 5 FHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2cncn2c1 ZINC000550313138 945844506 /nfs/dbraw/zinc/84/45/06/945844506.db2.gz JMAFWHQJMIHPQJ-UHFFFAOYSA-N 0 1 365.374 3.618 20 5 FHBDMN CCCCc1nc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000109000157 946110664 /nfs/dbraw/zinc/11/06/64/946110664.db2.gz WIUMGXUZUKJREI-UHFFFAOYSA-N 0 1 368.393 3.831 20 5 FHBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000148119864 946415932 /nfs/dbraw/zinc/41/59/32/946415932.db2.gz BIKKCKQPEVYTBM-UHFFFAOYSA-N 0 1 362.433 3.508 20 5 FHBDMN Cc1cccc(CC2(O)CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000475489769 946423112 /nfs/dbraw/zinc/42/31/12/946423112.db2.gz VQMZKQCFLZIEFK-UITAMQMPSA-N 0 1 366.461 3.986 20 5 FHBDMN C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186218288 946629612 /nfs/dbraw/zinc/62/96/12/946629612.db2.gz DTCLBECRDBEXEZ-FQEVSTJZSA-N 0 1 364.405 3.709 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475585479 946758421 /nfs/dbraw/zinc/75/84/21/946758421.db2.gz VOPWHOFMDQLMDF-QGZVFWFLSA-N 0 1 368.437 3.608 20 5 FHBDMN CCc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026191005 946914175 /nfs/dbraw/zinc/91/41/75/946914175.db2.gz SLRXAIBNKXCHEB-HNNXBMFYSA-N 0 1 355.438 3.925 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000444339255 946923236 /nfs/dbraw/zinc/92/32/36/946923236.db2.gz SACWATWVAVOOGF-AWEZNQCLSA-N 0 1 364.352 3.526 20 5 FHBDMN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000475356206 946937401 /nfs/dbraw/zinc/93/74/01/946937401.db2.gz SEDSLKGWPGXTKI-SJORKVTESA-N 0 1 364.490 3.668 20 5 FHBDMN COc1ccccc1C[C@@H](C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444646188 947068450 /nfs/dbraw/zinc/06/84/50/947068450.db2.gz AWVCVCRYKZQICB-CYBMUJFWSA-N 0 1 354.410 3.543 20 5 FHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512017875 948199591 /nfs/dbraw/zinc/19/95/91/948199591.db2.gz LNZBXHTXDMXZQS-UHFFFAOYSA-N 0 1 374.731 3.625 20 5 FHBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000574796815 948518037 /nfs/dbraw/zinc/51/80/37/948518037.db2.gz LVWLHNIMHIGAJJ-WIHIRCLASA-N 0 1 371.462 3.574 20 5 FHBDMN CN(CCc1ccc(F)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899291 948712250 /nfs/dbraw/zinc/71/22/50/948712250.db2.gz QTOPIZUCNARCHU-UHFFFAOYSA-N 0 1 354.385 3.729 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000103181230 222322882 /nfs/dbraw/zinc/32/28/82/222322882.db2.gz HNRBZOZJKVPAPE-UHFFFAOYSA-N 0 1 364.276 3.554 20 5 FHBDMN Cc1cc(N2CCOc3cc(O)ccc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000568121749 567888668 /nfs/dbraw/zinc/88/86/68/567888668.db2.gz MAFPSGCTYWGYIN-UHFFFAOYSA-N 0 1 351.362 3.556 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000481571042 568053860 /nfs/dbraw/zinc/05/38/60/568053860.db2.gz LHAYSZUCFSWYMA-MAUKXSAKSA-N 0 1 355.438 3.773 20 5 FHBDMN O=C(NCCCSc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481737104 568099640 /nfs/dbraw/zinc/09/96/40/568099640.db2.gz CJTIUWNSPDPXQY-UHFFFAOYSA-N 0 1 374.397 3.522 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000181916917 568196041 /nfs/dbraw/zinc/19/60/41/568196041.db2.gz QTCXVTBMRXIPKH-AWEZNQCLSA-N 0 1 352.394 3.640 20 5 FHBDMN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000604181668 568219944 /nfs/dbraw/zinc/21/99/44/568219944.db2.gz DCEUHYYSYZPRDC-INIZCTEOSA-N 0 1 371.368 3.513 20 5 FHBDMN COc1ccc(CNCc2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000190299239 568253115 /nfs/dbraw/zinc/25/31/15/568253115.db2.gz XSGDLBRCVZEHOH-UHFFFAOYSA-N 0 1 365.227 3.964 20 5 FHBDMN CNC(=O)C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065270 568253517 /nfs/dbraw/zinc/25/35/17/568253517.db2.gz CUTMRRGTZHPOKO-RBUKOAKNSA-N 0 1 367.449 3.784 20 5 FHBDMN Cc1ccccc1[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000482072533 568253944 /nfs/dbraw/zinc/25/39/44/568253944.db2.gz ILZMTGWPYXEPGP-MRXNPFEDSA-N 0 1 366.414 3.718 20 5 FHBDMN O=C([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000569502262 568403843 /nfs/dbraw/zinc/40/38/43/568403843.db2.gz JGIDSAFJXUIQOT-QGZVFWFLSA-N 0 1 370.405 3.551 20 5 FHBDMN C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000833629293 604669098 /nfs/dbraw/zinc/66/90/98/604669098.db2.gz HEIJXEDDJZKFBE-LRDDRELGSA-N 0 1 374.368 3.679 20 5 FHBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593747873 604946533 /nfs/dbraw/zinc/94/65/33/604946533.db2.gz DXGODKKYXYCRPC-AWEZNQCLSA-N 0 1 373.409 3.573 20 5 FHBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833419941 605548953 /nfs/dbraw/zinc/54/89/53/605548953.db2.gz KFSFJYAWNPZFLI-GFCCVEGCSA-N 0 1 372.368 3.519 20 5 FHBDMN C/C(=C/C(=O)OC[C@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000784900961 927239854 /nfs/dbraw/zinc/23/98/54/927239854.db2.gz DSUFEFWXCQQNPD-WTQUMQLASA-N 0 1 370.405 3.799 20 5 FHBDMN Cc1cc(N2CCC(C(=O)C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000274669672 927458484 /nfs/dbraw/zinc/45/84/84/927458484.db2.gz XSHXOGBHCLVHAP-UHFFFAOYSA-N 0 1 367.327 3.799 20 5 FHBDMN CC(C)Oc1cccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000535941155 937166994 /nfs/dbraw/zinc/16/69/94/937166994.db2.gz YFUINORKVQAGIX-UHFFFAOYSA-N 0 1 360.414 3.501 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000430200152 927938613 /nfs/dbraw/zinc/93/86/13/927938613.db2.gz FYNICRDEXOWHNV-CQSZACIVSA-N 0 1 366.421 3.948 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(OCCc2ccccc2)CC1 ZINC000430204297 928006538 /nfs/dbraw/zinc/00/65/38/928006538.db2.gz QSKWGHJIHFDYAN-UHFFFAOYSA-N 0 1 370.449 3.827 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)[C@@H](CO)C(C)C ZINC000430209500 928087640 /nfs/dbraw/zinc/08/76/40/928087640.db2.gz RHBFUFQBXLIBRM-IBGZPJMESA-N 0 1 358.438 3.623 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(OCc2ccccc2)CC1 ZINC000430225595 928291498 /nfs/dbraw/zinc/29/14/98/928291498.db2.gz YMZPZHNJFOYGPI-UHFFFAOYSA-N 0 1 356.422 3.785 20 5 FHBDMN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)s1 ZINC000179225352 928790201 /nfs/dbraw/zinc/79/02/01/928790201.db2.gz HZLPNPFGGYFRRF-SECBINFHSA-N 0 1 356.245 3.707 20 5 FHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000572845320 929798481 /nfs/dbraw/zinc/79/84/81/929798481.db2.gz NAXVIOVERNATAF-CZUORRHYSA-N 0 1 355.394 3.540 20 5 FHBDMN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000583390920 937398265 /nfs/dbraw/zinc/39/82/65/937398265.db2.gz FGOLROAQOLUINA-QWQRMKEZSA-N 0 1 365.433 3.538 20 5 FHBDMN O=C(CN1CCC[C@@H]1C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000610390813 930304534 /nfs/dbraw/zinc/30/45/34/930304534.db2.gz FRPAXEIHTCCEFE-MRXNPFEDSA-N 0 1 372.450 3.531 20 5 FHBDMN Cc1[nH]nc2cc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000091827129 930774605 /nfs/dbraw/zinc/77/46/05/930774605.db2.gz JMZGFFMRXRKUEK-NSHDSACASA-N 0 1 356.407 3.899 20 5 FHBDMN Cc1cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580650798 930971953 /nfs/dbraw/zinc/97/19/53/930971953.db2.gz ZKUDUZCUIKQDJX-GDBMZVCRSA-N 0 1 369.421 3.849 20 5 FHBDMN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000177998426 932001499 /nfs/dbraw/zinc/00/14/99/932001499.db2.gz GWWANVWMEXONFX-INIZCTEOSA-N 0 1 355.438 3.603 20 5 FHBDMN CCN1C[C@H](CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000610556991 932969561 /nfs/dbraw/zinc/96/95/61/932969561.db2.gz HXTQDEFXIJGSLB-QAPCUYQASA-N 0 1 355.438 3.875 20 5 FHBDMN C[S@@](=O)c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000610575176 933158007 /nfs/dbraw/zinc/15/80/07/933158007.db2.gz KATBNUFBQVOGST-AREMUKBSSA-N 0 1 370.430 3.882 20 5 FHBDMN COC(=O)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F ZINC000089117117 933411861 /nfs/dbraw/zinc/41/18/61/933411861.db2.gz USJAZWBHTKGDGX-UHFFFAOYSA-N 0 1 360.385 3.931 20 5 FHBDMN CCOc1cc(CN[C@@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000276896005 933893517 /nfs/dbraw/zinc/89/35/17/933893517.db2.gz KZWRDBIFORJBIQ-ZDUSSCGKSA-N 0 1 357.410 3.803 20 5 FHBDMN CCc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000471954559 934050703 /nfs/dbraw/zinc/05/07/03/934050703.db2.gz VCZMZSONWNRKSV-UHFFFAOYSA-N 0 1 351.366 3.503 20 5 FHBDMN CN(c1ccccc1)c1ccc(CN2CCC(CCO)CC2)cc1[N+](=O)[O-] ZINC000535782139 934372091 /nfs/dbraw/zinc/37/20/91/934372091.db2.gz GXQILSSIFPEJOZ-UHFFFAOYSA-N 0 1 369.465 3.957 20 5 FHBDMN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000535819043 934479397 /nfs/dbraw/zinc/47/93/97/934479397.db2.gz TWYBRMBOAPOJAV-WDEREUQCSA-N 0 1 368.368 3.758 20 5 FHBDMN C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)cc1 ZINC000065208686 934666768 /nfs/dbraw/zinc/66/67/68/934666768.db2.gz OSLFCCMAIDDGCI-UHFFFAOYSA-N 0 1 365.227 3.868 20 5 FHBDMN CCCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C ZINC000071950424 935069113 /nfs/dbraw/zinc/06/91/13/935069113.db2.gz BRQGTHAYFBPWRR-UHFFFAOYSA-N 0 1 371.437 3.633 20 5 FHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539234514 935098856 /nfs/dbraw/zinc/09/88/56/935098856.db2.gz SXXMFSWOMNKKSF-LLVKDONJSA-N 0 1 363.801 3.546 20 5 FHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157790000 935197761 /nfs/dbraw/zinc/19/77/61/935197761.db2.gz BSOLMTWYBBLMSD-GXTWGEPZSA-N 0 1 373.457 3.533 20 5 FHBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000479357838 935830442 /nfs/dbraw/zinc/83/04/42/935830442.db2.gz ZHIDOYBALBDYMS-AWEZNQCLSA-N 0 1 371.441 3.766 20 5 FHBDMN CCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000507301138 945129140 /nfs/dbraw/zinc/12/91/40/945129140.db2.gz GHJCOVLYQDTTHP-MRXNPFEDSA-N 0 1 350.321 3.850 20 5 FHBDMN CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)Cc1ccsc1 ZINC000187795223 936019522 /nfs/dbraw/zinc/01/95/22/936019522.db2.gz OTKYSMYQRZIDJP-AWEZNQCLSA-N 0 1 361.467 3.856 20 5 FHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)Cc1ccsc1 ZINC000187795223 936019525 /nfs/dbraw/zinc/01/95/25/936019525.db2.gz OTKYSMYQRZIDJP-AWEZNQCLSA-N 0 1 361.467 3.856 20 5 FHBDMN C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654846 936087258 /nfs/dbraw/zinc/08/72/58/936087258.db2.gz MPSVTKPARMDJNP-WBMJQRKESA-N 0 1 359.813 3.704 20 5 FHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000507325376 945146440 /nfs/dbraw/zinc/14/64/40/945146440.db2.gz LGCFROAXJJOTSX-UHFFFAOYSA-N 0 1 374.466 3.840 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000507328239 945146661 /nfs/dbraw/zinc/14/66/61/945146661.db2.gz SSQDQBFWWDZTAV-UHFFFAOYSA-N 0 1 367.188 3.806 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000178680252 936172400 /nfs/dbraw/zinc/17/24/00/936172400.db2.gz CYRLDHYZMQZRBC-NWDGAFQWSA-N 0 1 363.364 3.859 20 5 FHBDMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685323 936201162 /nfs/dbraw/zinc/20/11/62/936201162.db2.gz FGRIQOLGHVBVGC-JKSUJKDBSA-N 0 1 355.438 3.567 20 5 FHBDMN CCN(C(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178684174 936205022 /nfs/dbraw/zinc/20/50/22/936205022.db2.gz BOKRIIOFXFGYAJ-HZPDHXFCSA-N 0 1 355.438 3.995 20 5 FHBDMN Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684318 936205512 /nfs/dbraw/zinc/20/55/12/936205512.db2.gz IJAZYVDFZGFLLV-CVEARBPZSA-N 0 1 355.438 3.567 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000178684761 936206727 /nfs/dbraw/zinc/20/67/27/936206727.db2.gz FQJNGAPCJLTFNJ-VXGBXAGGSA-N 0 1 362.817 3.629 20 5 FHBDMN Cc1nc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000178690379 936207197 /nfs/dbraw/zinc/20/71/97/936207197.db2.gz DOVKXRMZSQLCJL-NEPJUHHUSA-N 0 1 362.455 3.654 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000178690054 936211984 /nfs/dbraw/zinc/21/19/84/936211984.db2.gz LHPVCBAANQMLBJ-VXGBXAGGSA-N 0 1 362.817 3.629 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000612580290 936277595 /nfs/dbraw/zinc/27/75/95/936277595.db2.gz NBHXJPUTLOMHON-IRXDYDNUSA-N 0 1 368.355 3.527 20 5 FHBDMN Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000140543768 945157943 /nfs/dbraw/zinc/15/79/43/945157943.db2.gz XCKJQHBSWIUEHY-UHFFFAOYSA-N 0 1 372.425 3.509 20 5 FHBDMN CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000507351372 945165412 /nfs/dbraw/zinc/16/54/12/945165412.db2.gz WTSFSBRRDFTNCA-INIZCTEOSA-N 0 1 371.437 3.713 20 5 FHBDMN CCCN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000507351372 945165416 /nfs/dbraw/zinc/16/54/16/945165416.db2.gz WTSFSBRRDFTNCA-INIZCTEOSA-N 0 1 371.437 3.713 20 5 FHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000278408805 938394949 /nfs/dbraw/zinc/39/49/49/938394949.db2.gz YJPCCWPQNCFQQN-WCBMZHEXSA-N 0 1 365.821 3.679 20 5 FHBDMN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507366304 945183785 /nfs/dbraw/zinc/18/37/85/945183785.db2.gz ASEKCAWPSRXGHL-HNNXBMFYSA-N 0 1 362.769 3.598 20 5 FHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1F ZINC000278780395 938991687 /nfs/dbraw/zinc/99/16/87/938991687.db2.gz ZKSXLBYQVAOGCQ-LJQANCHMSA-N 0 1 358.369 3.746 20 5 FHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000179344251 939084415 /nfs/dbraw/zinc/08/44/15/939084415.db2.gz JIGJTPXHVRAFHC-UHFFFAOYSA-N 0 1 370.434 3.822 20 5 FHBDMN Cc1ccc(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179449606 939164412 /nfs/dbraw/zinc/16/44/12/939164412.db2.gz WYGMFOVYSSDHFN-MRXNPFEDSA-N 0 1 363.458 3.592 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179671974 939913311 /nfs/dbraw/zinc/91/33/11/939913311.db2.gz DVFNZPIBNTWWRO-HNNXBMFYSA-N 0 1 371.437 3.980 20 5 FHBDMN CC(C)c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000364680396 939982091 /nfs/dbraw/zinc/98/20/91/939982091.db2.gz XTNICYPISUXIAE-GOSISDBHSA-N 0 1 351.410 3.716 20 5 FHBDMN Cc1c(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000179862865 940014459 /nfs/dbraw/zinc/01/44/59/940014459.db2.gz CVLZEIRWSLQHCJ-UHFFFAOYSA-N 0 1 360.320 3.898 20 5 FHBDMN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)Cc2ccc(F)cc2)c1 ZINC000472438547 940128772 /nfs/dbraw/zinc/12/87/72/940128772.db2.gz HXTWNVLMCDIVRN-UHFFFAOYSA-N 0 1 354.385 3.633 20 5 FHBDMN CSc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000507521480 945298804 /nfs/dbraw/zinc/29/88/04/945298804.db2.gz YLTRGROOQQYWAQ-ACJLOTCBSA-N 0 1 371.462 3.773 20 5 FHBDMN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506777179 945298872 /nfs/dbraw/zinc/29/88/72/945298872.db2.gz LDPBURXKYHGFAL-DNVCBOLYSA-N 0 1 370.405 3.507 20 5 FHBDMN O=[N+]([O-])c1ccn(CCN[C@H](c2c(Cl)cccc2Cl)C2CC2)n1 ZINC000581695717 940589041 /nfs/dbraw/zinc/58/90/41/940589041.db2.gz YVVRVPOZFRSGFR-HNNXBMFYSA-N 0 1 355.225 3.839 20 5 FHBDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389249 940657091 /nfs/dbraw/zinc/65/70/91/940657091.db2.gz FYKBXYIGNBBUBE-LIRRHRJNSA-N 0 1 367.405 3.504 20 5 FHBDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000180160156 940721084 /nfs/dbraw/zinc/72/10/84/940721084.db2.gz IIMVQYOWFLWSRW-UHFFFAOYSA-N 0 1 354.815 3.974 20 5 FHBDMN O=C(Nc1c(F)cc(Br)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000175248956 940830334 /nfs/dbraw/zinc/83/03/34/940830334.db2.gz RWYATRVIIXQOSH-UHFFFAOYSA-N 0 1 363.139 3.949 20 5 FHBDMN CC[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414266177 940863715 /nfs/dbraw/zinc/86/37/15/940863715.db2.gz RIVTUPCXNMLZPP-WFASDCNBSA-N 0 1 370.375 3.986 20 5 FHBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1nc(-c2ccccc2)no1 ZINC000583051259 941010085 /nfs/dbraw/zinc/01/00/85/941010085.db2.gz HHTDGCLZWUKYGP-XFFZJAGNSA-N 0 1 364.405 3.833 20 5 FHBDMN Cc1ccc(CN(C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180422768 941010320 /nfs/dbraw/zinc/01/03/20/941010320.db2.gz IATXFWWGFDCHRT-INIZCTEOSA-N 0 1 367.449 3.745 20 5 FHBDMN C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180438842 941014532 /nfs/dbraw/zinc/01/45/32/941014532.db2.gz AFWGVCKYJZGQCH-SNVBAGLBSA-N 0 1 351.765 3.677 20 5 FHBDMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443162 941015141 /nfs/dbraw/zinc/01/51/41/941015141.db2.gz CMPCSHVEDCATSQ-DYVFJYSZSA-N 0 1 373.478 3.843 20 5 FHBDMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000467185635 941022798 /nfs/dbraw/zinc/02/27/98/941022798.db2.gz GOKYQHFJUFIUPV-ZIAGYGMSSA-N 0 1 358.394 3.558 20 5 FHBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000180729451 941069684 /nfs/dbraw/zinc/06/96/84/941069684.db2.gz UZWBEZRLUMWJEV-UHFFFAOYSA-N 0 1 351.366 3.573 20 5 FHBDMN CC(C)(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000181056384 941106491 /nfs/dbraw/zinc/10/64/91/941106491.db2.gz XOQFABLHJNPYCI-QGZVFWFLSA-N 0 1 359.401 3.710 20 5 FHBDMN Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000729215711 941695767 /nfs/dbraw/zinc/69/57/67/941695767.db2.gz MKNPZGJCRLDBHW-UHFFFAOYSA-N 0 1 371.374 3.764 20 5 FHBDMN Cc1cc(-c2noc([C@@H](C)NCCc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000513202580 941779308 /nfs/dbraw/zinc/77/93/08/941779308.db2.gz XFHQMHQIFZFHRK-CYBMUJFWSA-N 0 1 370.384 3.986 20 5 FHBDMN CCN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433671991 941827965 /nfs/dbraw/zinc/82/79/65/941827965.db2.gz YKJQXQQGGXKQFK-UHFFFAOYSA-N 0 1 350.806 3.757 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3cccc(F)c3)C2)c2c(c1)COCO2 ZINC000513461202 941948795 /nfs/dbraw/zinc/94/87/95/941948795.db2.gz KSFSNQUAIDEDQF-CQSZACIVSA-N 0 1 358.369 3.590 20 5 FHBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(O)c(Cl)c1 ZINC000101950111 942027927 /nfs/dbraw/zinc/02/79/27/942027927.db2.gz FCKOXJJNVFNUPR-UHFFFAOYSA-N 0 1 358.741 3.596 20 5 FHBDMN CCC(=O)c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000280646485 942221241 /nfs/dbraw/zinc/22/12/41/942221241.db2.gz DXHLKNSOSASACT-CQSZACIVSA-N 0 1 369.425 3.567 20 5 FHBDMN CCC(=O)c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000280646485 942221246 /nfs/dbraw/zinc/22/12/46/942221246.db2.gz DXHLKNSOSASACT-CQSZACIVSA-N 0 1 369.425 3.567 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(F)cc1F ZINC000181580631 942341555 /nfs/dbraw/zinc/34/15/55/942341555.db2.gz MWAATUCCEFRTMI-LBPRGKRZSA-N 0 1 363.364 3.861 20 5 FHBDMN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000501283162 942372174 /nfs/dbraw/zinc/37/21/74/942372174.db2.gz LCBSFHWPBXWXOT-OAHLLOKOSA-N 0 1 366.421 3.955 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000502428178 942441179 /nfs/dbraw/zinc/44/11/79/942441179.db2.gz CNQXKGBZZQBJBI-MRXNPFEDSA-N 0 1 356.426 3.644 20 5 FHBDMN Cc1ccccc1[C@@]1(F)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000502874618 942806025 /nfs/dbraw/zinc/80/60/25/942806025.db2.gz HZVQJTKRIFVAKV-HXUWFJFHSA-N 0 1 371.412 3.803 20 5 FHBDMN Cc1ccccc1[C@@]1(F)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000502874618 942806027 /nfs/dbraw/zinc/80/60/27/942806027.db2.gz HZVQJTKRIFVAKV-HXUWFJFHSA-N 0 1 371.412 3.803 20 5 FHBDMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000434632901 942808101 /nfs/dbraw/zinc/80/81/01/942808101.db2.gz BUXHAOYQHYJYKF-UHFFFAOYSA-N 0 1 364.423 3.638 20 5 FHBDMN O=c1cc(C(F)(F)F)nc(SCc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC000505526396 942977467 /nfs/dbraw/zinc/97/74/67/942977467.db2.gz MTRVKBWASKLFIB-UHFFFAOYSA-N 0 1 367.255 3.680 20 5 FHBDMN CC[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000416597401 943002442 /nfs/dbraw/zinc/00/24/42/943002442.db2.gz NTTGOABPJOEGGO-QMMMGPOBSA-N 0 1 374.768 3.505 20 5 FHBDMN CCN(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000183751869 943125014 /nfs/dbraw/zinc/12/50/14/943125014.db2.gz MCECIYXRRGMGAG-KRWDZBQOSA-N 0 1 361.829 3.557 20 5 FHBDMN COc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1Br ZINC000048068872 943203838 /nfs/dbraw/zinc/20/38/38/943203838.db2.gz XUJPMVHXBIDGIH-UHFFFAOYSA-N 0 1 351.200 3.656 20 5 FHBDMN C[C@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503937165 943425914 /nfs/dbraw/zinc/42/59/14/943425914.db2.gz LGMWJJCNVLFVRP-JXFKEZNVSA-N 0 1 363.417 3.849 20 5 FHBDMN C[C@@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947464 943431020 /nfs/dbraw/zinc/43/10/20/943431020.db2.gz LUIDOJWFUXOCFM-OXQOHEQNSA-N 0 1 363.417 3.849 20 5 FHBDMN COc1ccc(CN(Cc2cc(O)ccc2[N+](=O)[O-])CC2CC2)c(OC)c1 ZINC000504557555 943659536 /nfs/dbraw/zinc/65/95/36/943659536.db2.gz ZQMIYHJTIPDPLM-UHFFFAOYSA-N 0 1 372.421 3.730 20 5 FHBDMN Cn1ccnc1[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000424346339 943875599 /nfs/dbraw/zinc/87/55/99/943875599.db2.gz JMKPHMFNKHRYSX-WDYCEAGBSA-N 0 1 354.454 3.976 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1ccccc1 ZINC000504913660 943909573 /nfs/dbraw/zinc/90/95/73/943909573.db2.gz GIADIPBOPRVSEN-KRWDZBQOSA-N 0 1 350.378 3.839 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000505751851 944000537 /nfs/dbraw/zinc/00/05/37/944000537.db2.gz ABMTYQOEIFAUMP-UHFFFAOYSA-N 0 1 363.373 3.711 20 5 FHBDMN Cc1ccc(Br)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505783519 944158664 /nfs/dbraw/zinc/15/86/64/944158664.db2.gz SGZZJIXPPXZGGA-UHFFFAOYSA-N 0 1 351.156 3.624 20 5 FHBDMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000515869612 944285412 /nfs/dbraw/zinc/28/54/12/944285412.db2.gz CXSMAEYWSWONMC-CQSZACIVSA-N 0 1 358.369 3.812 20 5 FHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000436472743 944352239 /nfs/dbraw/zinc/35/22/39/944352239.db2.gz AGLCMKLWZPZDJX-UHFFFAOYSA-N 0 1 364.333 3.656 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000566625667 944375444 /nfs/dbraw/zinc/37/54/44/944375444.db2.gz DRIFRMGXIOFNCW-MGPUTAFESA-N 0 1 354.406 3.693 20 5 FHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(-c3ccccc3)on2)n1 ZINC000425955365 944390923 /nfs/dbraw/zinc/39/09/23/944390923.db2.gz ZDOUIHXMCCBVAH-IRXDYDNUSA-N 0 1 367.409 3.720 20 5 FHBDMN CC(C)(C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000327687095 944451886 /nfs/dbraw/zinc/45/18/86/944451886.db2.gz HLBDRRLKEHQEHG-MRXNPFEDSA-N 0 1 366.414 3.800 20 5 FHBDMN Cc1cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000518540544 944476533 /nfs/dbraw/zinc/47/65/33/944476533.db2.gz RLOHZCHKROIZKR-OAHLLOKOSA-N 0 1 371.437 3.924 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](COc2ccccc2)C1 ZINC000505874719 944572861 /nfs/dbraw/zinc/57/28/61/944572861.db2.gz MWIGICGPZAMVIN-INIZCTEOSA-N 0 1 356.422 3.894 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN(CCO)Cc3cccc(F)c3)o2)c1 ZINC000426371308 944575917 /nfs/dbraw/zinc/57/59/17/944575917.db2.gz KCFPSMZQVFMSCA-UHFFFAOYSA-N 0 1 370.380 3.988 20 5 FHBDMN C[C@H](CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000066853574 944642378 /nfs/dbraw/zinc/64/23/78/944642378.db2.gz ZIEGTODKQIPSEJ-CQSZACIVSA-N 0 1 352.394 3.880 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000066854636 944642426 /nfs/dbraw/zinc/64/24/26/944642426.db2.gz OMZNJNLZNMEOBX-GJZGRUSLSA-N 0 1 371.437 3.666 20 5 FHBDMN O=C([O-])[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1Cl ZINC000426762578 944762395 /nfs/dbraw/zinc/76/23/95/944762395.db2.gz LKUISCUZLKEWKU-CQSZACIVSA-N 0 1 355.177 3.817 20 5 FHBDMN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000426807244 944808443 /nfs/dbraw/zinc/80/84/43/944808443.db2.gz GVZLMEMMTHESLB-KRWDZBQOSA-N 0 1 366.373 3.640 20 5 FHBDMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000436961853 944839606 /nfs/dbraw/zinc/83/96/06/944839606.db2.gz AOLNDWXGDMVJTL-UHFFFAOYSA-N 0 1 360.341 3.558 20 5 FHBDMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2C1 ZINC000436958562 944855138 /nfs/dbraw/zinc/85/51/38/944855138.db2.gz IPPLFGYGLREHOI-UHFFFAOYSA-N 0 1 355.394 3.524 20 5 FHBDMN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCN1C1CC1 ZINC000426880394 944901546 /nfs/dbraw/zinc/90/15/46/944901546.db2.gz BSOYDYXRXOKLEQ-LJQANCHMSA-N 0 1 367.405 3.952 20 5 FHBDMN CC[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000519488681 945460924 /nfs/dbraw/zinc/46/09/24/945460924.db2.gz RXCNQWVYMHQSPN-CRAIPNDOSA-N 0 1 355.438 3.683 20 5 FHBDMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000507697630 945461458 /nfs/dbraw/zinc/46/14/58/945461458.db2.gz KMDIKMHVPJBVEZ-UKRRQHHQSA-N 0 1 360.385 3.729 20 5 FHBDMN COc1cccc([C@H](C)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507687709 945469429 /nfs/dbraw/zinc/46/94/29/945469429.db2.gz JKXZXDNYIBQMGS-KRWDZBQOSA-N 0 1 369.465 3.525 20 5 FHBDMN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ncc(Br)cc1F ZINC000427534234 945485942 /nfs/dbraw/zinc/48/59/42/945485942.db2.gz ORUDJRDMFSGDPL-SNVBAGLBSA-N 0 1 368.206 3.785 20 5 FHBDMN CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000444049111 945749235 /nfs/dbraw/zinc/74/92/35/945749235.db2.gz SDAFKTYYHGCLQN-LBPRGKRZSA-N 0 1 360.414 3.502 20 5 FHBDMN CC(C)c1ccc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000574440080 945801062 /nfs/dbraw/zinc/80/10/62/945801062.db2.gz NJCNYTDTSREOAG-LPHOPBHVSA-N 0 1 372.425 3.694 20 5 FHBDMN C[C@H](N[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000549535362 945823164 /nfs/dbraw/zinc/82/31/64/945823164.db2.gz FDXZJUBZFPCPHZ-CKFHNAJUSA-N 0 1 371.412 3.747 20 5 FHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1[N+](=O)[O-] ZINC000444190623 946044700 /nfs/dbraw/zinc/04/47/00/946044700.db2.gz WJBCTHDGKXHEFO-UHFFFAOYSA-N 0 1 374.416 3.995 20 5 FHBDMN Cc1ccc(C[C@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000444226958 946094589 /nfs/dbraw/zinc/09/45/89/946094589.db2.gz PTBFHGLANXTLGW-INIZCTEOSA-N 0 1 355.438 3.713 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2c2cccc(C)c2)c1[N+](=O)[O-] ZINC000444252524 946127659 /nfs/dbraw/zinc/12/76/59/946127659.db2.gz WZBVLHZGFSVPPJ-INIZCTEOSA-N 0 1 356.426 3.946 20 5 FHBDMN Cc1cccc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000109486243 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355.438 3.773 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000481682909 568085745 /nfs/dbraw/zinc/08/57/45/568085745.db2.gz BKBFMDLUBQGCGE-IYBDPMFKSA-N 0 1 370.453 3.520 20 5 FHBDMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007052335 568143967 /nfs/dbraw/zinc/14/39/67/568143967.db2.gz WNVGXMGKPHKYOM-GFCCVEGCSA-N 0 1 364.423 3.918 20 5 FHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1 ZINC000436651815 568233373 /nfs/dbraw/zinc/23/33/73/568233373.db2.gz XZNSOVUYAKEISZ-UHFFFAOYSA-N 0 1 353.334 3.627 20 5 FHBDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000436656582 568249357 /nfs/dbraw/zinc/24/93/57/568249357.db2.gz JHUGANCDIBEAGM-SNVBAGLBSA-N 0 1 360.341 3.774 20 5 FHBDMN Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2C)c(-n2cc(Cl)cn2)n1 ZINC000190303742 568258814 /nfs/dbraw/zinc/25/88/14/568258814.db2.gz HYSNKNLXCIJNLH-UHFFFAOYSA-N 0 1 371.828 3.736 20 5 FHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000453031509 568265198 /nfs/dbraw/zinc/26/51/98/568265198.db2.gz YWAUTTYYEWLCQW-PXNSSMCTSA-N 0 1 368.433 3.562 20 5 FHBDMN CCO[C@@H]1C[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(CC)CC ZINC000482129973 568269584 /nfs/dbraw/zinc/26/95/84/568269584.db2.gz CZIOIKKJPPEHNI-JKSUJKDBSA-N 0 1 374.441 3.718 20 5 FHBDMN CCO[C@H]1C[C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(CC)CC ZINC000482135153 568276659 /nfs/dbraw/zinc/27/66/59/568276659.db2.gz MUOUGNYBOFIXHD-CVEARBPZSA-N 0 1 374.441 3.718 20 5 FHBDMN COc1cccc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)c1[N+](=O)[O-] ZINC000569766646 568422595 /nfs/dbraw/zinc/42/25/95/568422595.db2.gz GDQGOPGQHLSUAB-UHFFFAOYSA-N 0 1 372.356 3.521 20 5 FHBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c(F)c1 ZINC000570057389 568440426 /nfs/dbraw/zinc/44/04/26/568440426.db2.gz DTMQRXNJLUZAFG-CYBMUJFWSA-N 0 1 374.420 3.679 20 5 FHBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(F)c1 ZINC000570057389 568440427 /nfs/dbraw/zinc/44/04/27/568440427.db2.gz DTMQRXNJLUZAFG-CYBMUJFWSA-N 0 1 374.420 3.679 20 5 FHBDMN CCCc1[nH]nc(C(=O)N(CC)C[C@@H](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000482254510 568536557 /nfs/dbraw/zinc/53/65/57/568536557.db2.gz UAAHVBWZITWFMR-CQSZACIVSA-N 0 1 358.442 3.926 20 5 FHBDMN CC[C@@H]([NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000828982381 601380302 /nfs/dbraw/zinc/38/03/02/601380302.db2.gz CSVFBXHMIRUCAB-IUODEOHRSA-N 0 1 373.409 3.550 20 5 FHBDMN O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000833165642 601644698 /nfs/dbraw/zinc/64/46/98/601644698.db2.gz KYVQOOPGRMLTHL-AWEZNQCLSA-N 0 1 355.177 3.817 20 5 FHBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833419943 605549267 /nfs/dbraw/zinc/54/92/67/605549267.db2.gz KFSFJYAWNPZFLI-LBPRGKRZSA-N 0 1 372.368 3.519 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(N(C)c2ccccc2)CC1 ZINC000430196226 927865610 /nfs/dbraw/zinc/86/56/10/927865610.db2.gz QNGOBCGEXBOHHK-UHFFFAOYSA-N 0 1 355.438 3.704 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000430203950 927999939 /nfs/dbraw/zinc/99/99/39/927999939.db2.gz PXZOFUKHPXGDIQ-DNVCBOLYSA-N 0 1 356.422 3.861 20 5 FHBDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000520848638 928024225 /nfs/dbraw/zinc/02/42/25/928024225.db2.gz MJZYHDOLTDEQND-INIZCTEOSA-N 0 1 360.414 3.701 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000430211633 928121591 /nfs/dbraw/zinc/12/15/91/928121591.db2.gz XXUUAFQZKJCCLN-UHFFFAOYSA-N 0 1 366.421 3.859 20 5 FHBDMN COc1cccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000430223169 928285776 /nfs/dbraw/zinc/28/57/76/928285776.db2.gz FKVYNAHCDFWRMH-UHFFFAOYSA-N 0 1 356.422 3.992 20 5 FHBDMN CCOc1ccc([C@H](C)N[C@H](CCO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000154291475 928693065 /nfs/dbraw/zinc/69/30/65/928693065.db2.gz AREHDASKTDSDLP-KBXCAEBGSA-N 0 1 374.437 3.776 20 5 FHBDMN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)n1 ZINC000162791176 937295036 /nfs/dbraw/zinc/29/50/36/937295036.db2.gz VJRXELIWSYWQEM-INIZCTEOSA-N 0 1 365.437 3.952 20 5 FHBDMN CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001125402753 929966738 /nfs/dbraw/zinc/96/67/38/929966738.db2.gz SNRPSFVMFDHVEU-HZPDHXFCSA-N 0 1 362.426 3.956 20 5 FHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@](C)(c2ccccc2)C1 ZINC001167367141 930354268 /nfs/dbraw/zinc/35/42/68/930354268.db2.gz BSGUWVCTCXTQIT-KKSFZXQISA-N 0 1 367.449 3.976 20 5 FHBDMN CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610420399 930487062 /nfs/dbraw/zinc/48/70/62/930487062.db2.gz OBEDQSCBBGBKRV-RHSMWYFYSA-N 0 1 371.437 3.522 20 5 FHBDMN O=C(NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000255424385 930522276 /nfs/dbraw/zinc/52/22/76/930522276.db2.gz ZWIAJMRONUDRPW-POHAHGRESA-N 0 1 365.433 3.502 20 5 FHBDMN Cc1nc(Nc2ccc(F)cc2[N+](=O)[O-])nc(Cl)c1Br ZINC001210950226 930545301 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CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CN(Cc2ccccc2)C1 ZINC000364424005 939943500 /nfs/dbraw/zinc/94/35/00/939943500.db2.gz YQLSDSTXHYMRDD-UHFFFAOYSA-N 0 1 373.840 3.500 20 5 FHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccnc3)CC2)c2ncccc12 ZINC000278790648 939991052 /nfs/dbraw/zinc/99/10/52/939991052.db2.gz WYSZCAZRLVIJGK-UHFFFAOYSA-N 0 1 363.421 3.615 20 5 FHBDMN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506777177 945298837 /nfs/dbraw/zinc/29/88/37/945298837.db2.gz LDPBURXKYHGFAL-BEFAXECRSA-N 0 1 370.405 3.507 20 5 FHBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177544510 940269028 /nfs/dbraw/zinc/26/90/28/940269028.db2.gz NRXJIUYAEGUMFD-RWMBFGLXSA-N 0 1 351.834 3.697 20 5 FHBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466923140 940460955 /nfs/dbraw/zinc/46/09/55/940460955.db2.gz AAQILMXUUJMSBF-AWEZNQCLSA-N 0 1 370.478 3.998 20 5 FHBDMN COC(=O)c1cnc([C@@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000414081067 940487039 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3.648 20 5 FHBDMN O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000181118539 941109912 /nfs/dbraw/zinc/10/99/12/941109912.db2.gz HZJSMNQJKPECQA-UHFFFAOYSA-N 0 1 372.381 3.538 20 5 FHBDMN Cc1ccc([C@H]2C[C@H](C)N(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954250 941331649 /nfs/dbraw/zinc/33/16/49/941331649.db2.gz LVJWEARFQWBSSY-HOCLYGCPSA-N 0 1 367.405 3.647 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(Cl)c2F)c1C ZINC000480711965 941355472 /nfs/dbraw/zinc/35/54/72/941355472.db2.gz RMGSVHBNVGOGLB-UHFFFAOYSA-N 0 1 358.778 3.805 20 5 FHBDMN CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000452185424 941366495 /nfs/dbraw/zinc/36/64/95/941366495.db2.gz MZKWRXWELSDRQG-KXBFYZLASA-N 0 1 355.438 3.683 20 5 FHBDMN COc1c(O)ccc(CNCc2ccc(OC(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000892723247 941472991 /nfs/dbraw/zinc/47/29/91/941472991.db2.gz JSOSDIYCCAGEBF-UHFFFAOYSA-N 0 1 360.410 3.776 20 5 FHBDMN CCC[C@]1(CO)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000290264417 941559674 /nfs/dbraw/zinc/55/96/74/941559674.db2.gz XCTHQADPHNTYPS-SFHVURJKSA-N 0 1 361.467 3.703 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513261189 941814239 /nfs/dbraw/zinc/81/42/39/941814239.db2.gz MCTCQNMHQWPKJF-IFXJQAMLSA-N 0 1 353.422 3.925 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000433677709 941830088 /nfs/dbraw/zinc/83/00/88/941830088.db2.gz BPCURRAVOCWAES-SECBINFHSA-N 0 1 352.341 3.553 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000377667421 941883606 /nfs/dbraw/zinc/88/36/06/941883606.db2.gz JUMWBTNEGZAEQO-HXUWFJFHSA-N 0 1 368.433 3.787 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000433830563 941927430 /nfs/dbraw/zinc/92/74/30/941927430.db2.gz XVHATXXPOFTXNF-UHFFFAOYSA-N 0 1 370.331 3.732 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000433856210 941942791 /nfs/dbraw/zinc/94/27/91/941942791.db2.gz WOFQRXNSKZNBJZ-UHFFFAOYSA-N 0 1 356.426 3.536 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000433873044 941950013 /nfs/dbraw/zinc/95/00/13/941950013.db2.gz ONUBAPGMOYPGJD-UHFFFAOYSA-N 0 1 358.373 3.510 20 5 FHBDMN O=[N+]([O-])c1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183148050 942183538 /nfs/dbraw/zinc/18/35/38/942183538.db2.gz YRCZLSWRXUVIQB-UHFFFAOYSA-N 0 1 354.332 3.647 20 5 FHBDMN O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)o1 ZINC000092967616 942287089 /nfs/dbraw/zinc/28/70/89/942287089.db2.gz HZHQVPURGKJKPT-OAHLLOKOSA-N 0 1 352.394 3.888 20 5 FHBDMN CN(C(=O)CNC(C)(C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000103482087 942299523 /nfs/dbraw/zinc/29/95/23/942299523.db2.gz DBKDYDZATQLPIY-UHFFFAOYSA-N 0 1 361.829 3.736 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(F)cc1F ZINC000181580651 942341703 /nfs/dbraw/zinc/34/17/03/942341703.db2.gz MWAATUCCEFRTMI-GFCCVEGCSA-N 0 1 363.364 3.861 20 5 FHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncc([N+](=O)[O-])cc1C(F)(F)F 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KWMGAWIKSHGTSD-GOSISDBHSA-N 0 1 367.449 3.857 20 5 FHBDMN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)N2CCCC2)o1 ZINC000421759740 942802229 /nfs/dbraw/zinc/80/22/29/942802229.db2.gz VLRMOVUYOQOXOA-GOSISDBHSA-N 0 1 371.437 3.680 20 5 FHBDMN O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccc([N+](=O)[O-])cc1Cl ZINC000378526292 942863018 /nfs/dbraw/zinc/86/30/18/942863018.db2.gz MAFTWLOSINXNBM-UHFFFAOYSA-N 0 1 357.797 3.979 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000421917032 942874458 /nfs/dbraw/zinc/87/44/58/942874458.db2.gz JKPJOHZJTBQJHA-LJQANCHMSA-N 0 1 374.416 3.818 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000434187040 942998494 /nfs/dbraw/zinc/99/84/94/942998494.db2.gz OVELGCMEVWEZCH-HNNXBMFYSA-N 0 1 356.426 3.679 20 5 FHBDMN Cc1ccc(C=Cc2n[nH]c(SCCOc3cccc([N+](=O)[O-])c3)n2)o1 ZINC000514434840 943015919 /nfs/dbraw/zinc/01/59/19/943015919.db2.gz YQOHCVRFTUVGHL-FPLPWBNLSA-N 0 1 372.406 3.956 20 5 FHBDMN C[C@@H]1C[C@@]1(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380229 943156644 /nfs/dbraw/zinc/15/66/44/943156644.db2.gz VUJKMJLYFHCPLX-XIKOKIGWSA-N 0 1 359.813 3.712 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000434194930 943170449 /nfs/dbraw/zinc/17/04/49/943170449.db2.gz UCNXGXMVYUNWQP-OAHLLOKOSA-N 0 1 354.410 3.733 20 5 FHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(N2CCc3ccccc32)CC1 ZINC000503412515 943171360 /nfs/dbraw/zinc/17/13/60/943171360.db2.gz OACXWWUMCGCQOD-UHFFFAOYSA-N 0 1 367.449 3.501 20 5 FHBDMN Cc1c(CN2CCC(N3CCc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000503436562 943183429 /nfs/dbraw/zinc/18/34/29/943183429.db2.gz VIHAERNHGLTXNL-UHFFFAOYSA-N 0 1 351.450 3.930 20 5 FHBDMN COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000514891841 943365493 /nfs/dbraw/zinc/36/54/93/943365493.db2.gz XIMBRDZSZAACGO-UHFFFAOYSA-N 0 1 366.364 3.879 20 5 FHBDMN COc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000514891841 943365498 /nfs/dbraw/zinc/36/54/98/943365498.db2.gz XIMBRDZSZAACGO-UHFFFAOYSA-N 0 1 366.364 3.879 20 5 FHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000514910373 943381610 /nfs/dbraw/zinc/38/16/10/943381610.db2.gz SHMSUYZMGSEKLC-MUDDQBKWSA-N 0 1 358.360 3.633 20 5 FHBDMN C[C@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503937166 943426029 /nfs/dbraw/zinc/42/60/29/943426029.db2.gz LGMWJJCNVLFVRP-OXJNMPFZSA-N 0 1 363.417 3.849 20 5 FHBDMN C[C@@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947465 943430810 /nfs/dbraw/zinc/43/08/10/943430810.db2.gz LUIDOJWFUXOCFM-UZLBHIALSA-N 0 1 363.417 3.849 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000504336637 943599870 /nfs/dbraw/zinc/59/98/70/943599870.db2.gz OLWIECGOHGMYPB-XVJNWHFHSA-N 0 1 362.389 3.789 20 5 FHBDMN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505748428 943973439 /nfs/dbraw/zinc/97/34/39/943973439.db2.gz WLWAOZWDUNJCEG-UHFFFAOYSA-N 0 1 373.365 3.739 20 5 FHBDMN Cc1ccc(C)c(OC2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000506101027 944020332 /nfs/dbraw/zinc/02/03/32/944020332.db2.gz AOBPNHNZKYCFRO-UHFFFAOYSA-N 0 1 370.405 3.601 20 5 FHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000515655496 944080204 /nfs/dbraw/zinc/08/02/04/944080204.db2.gz JVXLVCOVDGTSGW-CJNGLKHVSA-N 0 1 355.394 3.540 20 5 FHBDMN C[S@@](=O)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287284 944165578 /nfs/dbraw/zinc/16/55/78/944165578.db2.gz UHGRXIAXBLRHKN-AVRWGWEMSA-N 0 1 358.463 3.575 20 5 FHBDMN CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000425942050 944284819 /nfs/dbraw/zinc/28/48/19/944284819.db2.gz LMNZNWXFHSJDRS-UHFFFAOYSA-N 0 1 362.407 3.624 20 5 FHBDMN CSc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000500235822 944316165 /nfs/dbraw/zinc/31/61/65/944316165.db2.gz DNRSQUAQDLLQKJ-ZDUSSCGKSA-N 0 1 359.451 3.914 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000506176163 944325664 /nfs/dbraw/zinc/32/56/64/944325664.db2.gz IUPIWYRHNJPEKD-UHFFFAOYSA-N 0 1 358.369 3.534 20 5 FHBDMN CNC(=O)c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000053551237 944343717 /nfs/dbraw/zinc/34/37/17/944343717.db2.gz YHIIYNGGIQXYJM-UHFFFAOYSA-N 0 1 362.798 3.635 20 5 FHBDMN Cn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000436472732 944352504 /nfs/dbraw/zinc/35/25/04/944352504.db2.gz ADKPLLUUSSEJPY-UHFFFAOYSA-N 0 1 360.370 3.527 20 5 FHBDMN O=[N+]([O-])c1ccc(NCCN2CCc3sccc3C2)c2ncccc12 ZINC000053580054 944400501 /nfs/dbraw/zinc/40/05/01/944400501.db2.gz AKKYGLDMOMFDRL-UHFFFAOYSA-N 0 1 354.435 3.675 20 5 FHBDMN O=C(Nc1ccc(Oc2ccccc2)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506191418 944433412 /nfs/dbraw/zinc/43/34/12/944433412.db2.gz NBAXWVYLURMPMM-UHFFFAOYSA-N 0 1 351.318 3.740 20 5 FHBDMN O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506209914 944528574 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Cc1cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000438768893 945008306 /nfs/dbraw/zinc/00/83/06/945008306.db2.gz VMAVRCCADDHYDM-UHFFFAOYSA-N 0 1 374.340 3.809 20 5 FHBDMN CC[C@H](c1cccc(OC)c1)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000519026232 945040163 /nfs/dbraw/zinc/04/01/63/945040163.db2.gz HSUPFQFLBDPUHZ-LJQANCHMSA-N 0 1 371.437 3.649 20 5 FHBDMN Cc1ccccc1[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000507208472 945041121 /nfs/dbraw/zinc/04/11/21/945041121.db2.gz QLQFBAAYCZAFDG-MRXNPFEDSA-N 0 1 353.422 3.640 20 5 FHBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383417032 945433258 /nfs/dbraw/zinc/43/32/58/945433258.db2.gz OIULWRDJXHEMQR-GOEBONIOSA-N 0 1 369.421 3.616 20 5 FHBDMN CC[C@@H](C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000507680291 945444967 /nfs/dbraw/zinc/44/49/67/945444967.db2.gz YULCVSQURXKUPR-MRXNPFEDSA-N 0 1 355.438 3.858 20 5 FHBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438055739 945488944 /nfs/dbraw/zinc/48/89/44/945488944.db2.gz PGKOIBVUWVSUGV-UHFFFAOYSA-N 0 1 350.256 3.742 20 5 FHBDMN Cc1nc(C(C)C)ccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000549526914 945663876 /nfs/dbraw/zinc/66/38/76/945663876.db2.gz DSCCXEFGTWIWGU-MRXNPFEDSA-N 0 1 355.442 3.503 20 5 FHBDMN CCc1[nH]nc(C(=O)N([C@H](C)c2ccccc2Cl)C2CC2)c1[N+](=O)[O-] ZINC000444023093 945739497 /nfs/dbraw/zinc/73/94/97/945739497.db2.gz NBRBBMJGXVNBKH-SNVBAGLBSA-N 0 1 362.817 3.900 20 5 FHBDMN C[C@H](c1ccc(F)cc1)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000549535364 945823581 /nfs/dbraw/zinc/82/35/81/945823581.db2.gz FDXZJUBZFPCPHZ-KSMMKXTCSA-N 0 1 371.412 3.747 20 5 FHBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000549535931 945853143 /nfs/dbraw/zinc/85/31/43/945853143.db2.gz MESZXQFKXDXFHR-SNVBAGLBSA-N 0 1 351.200 3.914 20 5 FHBDMN CCC[N@@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444130490 945943453 /nfs/dbraw/zinc/94/34/53/945943453.db2.gz LLLHMMUEQCRZBN-UHFFFAOYSA-N 0 1 373.428 3.936 20 5 FHBDMN CCCN(CCc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444130490 945943460 /nfs/dbraw/zinc/94/34/60/945943460.db2.gz LLLHMMUEQCRZBN-UHFFFAOYSA-N 0 1 373.428 3.936 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000444309796 946215574 /nfs/dbraw/zinc/21/55/74/946215574.db2.gz CDXYSEMDLAPPIY-OAHLLOKOSA-N 0 1 356.426 3.508 20 5 FHBDMN C[C@]1(Cc2ccccc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186218271 946629478 /nfs/dbraw/zinc/62/94/78/946629478.db2.gz DTCLBECRDBEXEZ-HXUWFJFHSA-N 0 1 364.405 3.709 20 5 FHBDMN CCS[C@@H]1CCCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000112090124 946657969 /nfs/dbraw/zinc/65/79/69/946657969.db2.gz ZJJCMLRPTQVCPL-MRXNPFEDSA-N 0 1 352.456 3.569 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475585474 946758565 /nfs/dbraw/zinc/75/85/65/946758565.db2.gz VOPWHOFMDQLMDF-KRWDZBQOSA-N 0 1 368.437 3.608 20 5 FHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2s1 ZINC000112532162 946908606 /nfs/dbraw/zinc/90/86/06/946908606.db2.gz YUPCCXNPUYTUHI-RYUDHWBXSA-N 0 1 370.434 3.882 20 5 FHBDMN Cc1cnc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)o1 ZINC000523728288 947549637 /nfs/dbraw/zinc/54/96/37/947549637.db2.gz OCENXKMXMBRQDL-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567981545 947560403 /nfs/dbraw/zinc/56/04/03/947560403.db2.gz OMNAQAOVNVPEPN-MRXNPFEDSA-N 0 1 369.421 3.678 20 5 FHBDMN CC(C)N(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC1 ZINC000440664892 947567954 /nfs/dbraw/zinc/56/79/54/947567954.db2.gz ZJZSZYCYGQFPEY-UHFFFAOYSA-N 0 1 374.466 3.920 20 5 FHBDMN CN(Cc1ccc(Br)c(F)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549612482 948012508 /nfs/dbraw/zinc/01/25/08/948012508.db2.gz RXKOZQCJUIEHOE-UHFFFAOYSA-N 0 1 369.190 3.834 20 5 FHBDMN Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000432343142 948169628 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374.393 3.927 20 5 FHBDMN C[C@@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180427640 941012719 /nfs/dbraw/zinc/01/27/19/941012719.db2.gz BTXYYZKKDBBFIZ-QWHCGFSZSA-N 0 1 361.829 3.776 20 5 FHBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180431750 941013282 /nfs/dbraw/zinc/01/32/82/941013282.db2.gz LYYSRBZIYVFPNT-SNVBAGLBSA-N 0 1 351.765 3.677 20 5 FHBDMN C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180438822 941014713 /nfs/dbraw/zinc/01/47/13/941014713.db2.gz AFWGVCKYJZGQCH-JTQLQIEISA-N 0 1 351.765 3.677 20 5 FHBDMN CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443147 941015192 /nfs/dbraw/zinc/01/51/92/941015192.db2.gz CMPCSHVEDCATSQ-CXAGYDPISA-N 0 1 373.478 3.843 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccc(F)cc1)CC1CC1 ZINC000115476304 941100081 /nfs/dbraw/zinc/10/00/81/941100081.db2.gz KVMLHAFCDDKQPN-UHFFFAOYSA-N 0 1 368.368 3.663 20 5 FHBDMN 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943025653 /nfs/dbraw/zinc/02/56/53/943025653.db2.gz DBCHURGZUMGSEM-AWEZNQCLSA-N 0 1 368.437 3.830 20 5 FHBDMN O=[N+]([O-])c1ccn(CCN(Cc2cc(F)ccc2F)C2CCCC2)n1 ZINC000434904780 943042370 /nfs/dbraw/zinc/04/23/70/943042370.db2.gz GSVRUUZYUZKITN-UHFFFAOYSA-N 0 1 350.369 3.514 20 5 FHBDMN CCN(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000183751888 943124655 /nfs/dbraw/zinc/12/46/55/943124655.db2.gz MCECIYXRRGMGAG-QGZVFWFLSA-N 0 1 361.829 3.557 20 5 FHBDMN COc1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000053221428 943379996 /nfs/dbraw/zinc/37/99/96/943379996.db2.gz OBCXHWRKWYIPLZ-FQEVSTJZSA-N 0 1 356.422 3.785 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000514945313 943397003 /nfs/dbraw/zinc/39/70/03/943397003.db2.gz URJSRGCXDWXLGF-SFHVURJKSA-N 0 1 372.421 3.510 20 5 FHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cc(Cl)c2c(c1)OCCO2 ZINC000516877708 943787524 /nfs/dbraw/zinc/78/75/24/943787524.db2.gz KHWRYJWTLYLKOF-HNNXBMFYSA-N 0 1 360.797 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APXDOKXOIWWODW-CQSZACIVSA-N 0 1 364.808 3.511 20 5 FHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3ccc(F)cc3Cl)C2)nc1 ZINC000570864816 568571470 /nfs/dbraw/zinc/57/14/70/568571470.db2.gz APXDOKXOIWWODW-CQSZACIVSA-N 0 1 364.808 3.511 20 5 FHBDMN C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000833526986 605864056 /nfs/dbraw/zinc/86/40/56/605864056.db2.gz XJVJCTCVPRVGQX-ITIMPDFMSA-N 0 1 373.453 3.758 20 5 FHBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994857 722192264 /nfs/dbraw/zinc/19/22/64/722192264.db2.gz QHAUADWYKPRFAP-HXUWFJFHSA-N 0 1 370.428 3.682 20 5 FHBDMN CCOC(=O)COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000430148398 927328399 /nfs/dbraw/zinc/32/83/99/927328399.db2.gz RTCUIBNLDFWGRH-UHFFFAOYSA-N 0 1 372.421 3.562 20 5 FHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCCc1ccccc1 ZINC001167053847 927504878 /nfs/dbraw/zinc/50/48/78/927504878.db2.gz CGIBHYQPOQKJJK-MRXNPFEDSA-N 0 1 355.438 3.877 20 5 FHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)cs1 ZINC000120265581 927926702 /nfs/dbraw/zinc/92/67/02/927926702.db2.gz INJMBAOKYNRIQL-UHFFFAOYSA-N 0 1 366.342 3.562 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000430207209 928048229 /nfs/dbraw/zinc/04/82/29/928048229.db2.gz MBECJDARGPCTFP-ZDUSSCGKSA-N 0 1 360.410 3.780 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000430207208 928048803 /nfs/dbraw/zinc/04/88/03/928048803.db2.gz MBECJDARGPCTFP-CYBMUJFWSA-N 0 1 360.410 3.780 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000430232318 928350656 /nfs/dbraw/zinc/35/06/56/928350656.db2.gz MBCKHMSVGQEDIY-SJLPKXTDSA-N 0 1 362.813 3.877 20 5 FHBDMN CC(C)N(Cc1cccc(F)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000510123593 928724460 /nfs/dbraw/zinc/72/44/60/928724460.db2.gz KASPPTFDZAKXNR-UHFFFAOYSA-N 0 1 356.357 3.661 20 5 FHBDMN Cc1nc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n[nH]1 ZINC000509534212 928921440 /nfs/dbraw/zinc/92/14/40/928921440.db2.gz XCABHLKJMSGWLN-INIZCTEOSA-N 0 1 364.409 3.815 20 5 FHBDMN Cc1cccc(NC2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000154575569 928993706 /nfs/dbraw/zinc/99/37/06/928993706.db2.gz DXFJHJKDMXOXME-FQEVSTJZSA-N 0 1 355.438 3.513 20 5 FHBDMN CC(C)Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000725794823 937315333 /nfs/dbraw/zinc/31/53/33/937315333.db2.gz AEBWOUYGMJONAB-UHFFFAOYSA-N 0 1 354.454 3.511 20 5 FHBDMN CCc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000134792912 929261398 /nfs/dbraw/zinc/26/13/98/929261398.db2.gz KVSQBUZDVSEMAJ-UHFFFAOYSA-N 0 1 371.784 3.848 20 5 FHBDMN CCOc1cc(NC[C@H](c2ccccc2OC)N(C)C)ccc1[N+](=O)[O-] ZINC000471241510 929595246 /nfs/dbraw/zinc/59/52/46/929595246.db2.gz QKTQPKCPFKDDAW-QGZVFWFLSA-N 0 1 359.426 3.717 20 5 FHBDMN COc1ccccc1O[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000583325935 937348409 /nfs/dbraw/zinc/34/84/09/937348409.db2.gz DWECIZGMRNKCNG-QGZVFWFLSA-N 0 1 356.422 3.955 20 5 FHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175845933 929953691 /nfs/dbraw/zinc/95/36/91/929953691.db2.gz ZFCUFSLJBLSGQG-HOCLYGCPSA-N 0 1 350.415 3.884 20 5 FHBDMN C[C@@H](CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000379613462 930480509 /nfs/dbraw/zinc/48/05/09/930480509.db2.gz WZOBDWOULBWXKR-AWEZNQCLSA-N 0 1 357.410 3.616 20 5 FHBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000610420424 930489942 /nfs/dbraw/zinc/48/99/42/930489942.db2.gz ZNMUEYACHMDNHQ-KSSFIOAISA-N 0 1 371.437 3.522 20 5 FHBDMN COc1ccc(NC(=O)CN2CCC[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001167406029 930715471 /nfs/dbraw/zinc/71/54/71/930715471.db2.gz MVUBQFBJAZPFCL-CQSZACIVSA-N 0 1 363.458 3.690 20 5 FHBDMN C[S@](=O)c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000610575177 932065495 /nfs/dbraw/zinc/06/54/95/932065495.db2.gz KATBNUFBQVOGST-SANMLTNESA-N 0 1 370.430 3.882 20 5 FHBDMN CC[C@@H](c1ccccc1)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000581440329 932075536 /nfs/dbraw/zinc/07/55/36/932075536.db2.gz DEOHMFBSHPTRJN-SFHVURJKSA-N 0 1 358.394 3.512 20 5 FHBDMN CC[C@H]1Oc2cc([C@H](C)NCc3ccc([N+](=O)[O-])c(F)c3)ccc2NC1=O ZINC000276312054 932173131 /nfs/dbraw/zinc/17/31/31/932173131.db2.gz MNZWSPMKDNMCKO-APPDUMDISA-N 0 1 373.384 3.694 20 5 FHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cccc1Cl ZINC000477249548 932432884 /nfs/dbraw/zinc/43/28/84/932432884.db2.gz HACXSZBHYJULQI-QMMMGPOBSA-N 0 1 362.748 3.755 20 5 FHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000477311405 932464181 /nfs/dbraw/zinc/46/41/81/932464181.db2.gz UHFPKKXWVIHXHG-SECBINFHSA-N 0 1 359.411 3.542 20 5 FHBDMN CCN1C[C@@H](CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000610556990 932969364 /nfs/dbraw/zinc/96/93/64/932969364.db2.gz HXTQDEFXIJGSLB-MAUKXSAKSA-N 0 1 355.438 3.875 20 5 FHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000430979788 933604210 /nfs/dbraw/zinc/60/42/10/933604210.db2.gz XJUGOOCWNNEAKE-UHFFFAOYSA-N 0 1 364.405 3.878 20 5 FHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000276966632 934155956 /nfs/dbraw/zinc/15/59/56/934155956.db2.gz PVIIIAZJLBGZIK-JOYOIKCWSA-N 0 1 360.418 3.726 20 5 FHBDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000535819041 934477951 /nfs/dbraw/zinc/47/79/51/934477951.db2.gz TWYBRMBOAPOJAV-MNOVXSKESA-N 0 1 368.368 3.758 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000610917254 934624428 /nfs/dbraw/zinc/62/44/28/934624428.db2.gz OGMRDNUTOBBCIM-AWEZNQCLSA-N 0 1 359.430 3.537 20 5 FHBDMN CCN(CC)Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000610961816 934658245 /nfs/dbraw/zinc/65/82/45/934658245.db2.gz BZADIDITXBAJHL-UHFFFAOYSA-N 0 1 371.437 3.834 20 5 FHBDMN CC(C)OC1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560818 934844394 /nfs/dbraw/zinc/84/43/94/934844394.db2.gz DJSOPKQJGSFQJG-KVZIAJEVSA-N 0 1 372.469 3.744 20 5 FHBDMN COc1cc(CN2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538738432 934899313 /nfs/dbraw/zinc/89/93/13/934899313.db2.gz VPLNOFDNUGYCSR-QWRGUYRKSA-N 0 1 362.348 3.775 20 5 FHBDMN COc1ccccc1[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000472054284 934908512 /nfs/dbraw/zinc/90/85/12/934908512.db2.gz QWMGRBWHSJGEJH-LJQANCHMSA-N 0 1 362.401 3.998 20 5 FHBDMN Cn1c(CN=c2ccc3cc([N+](=O)[O-])ccc3[nH]2)nc2cc(Cl)ccc21 ZINC000548614014 935010626 /nfs/dbraw/zinc/01/06/26/935010626.db2.gz QFJUYPORYNJMNU-UHFFFAOYSA-N 0 1 367.796 3.717 20 5 FHBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000119687854 935030442 /nfs/dbraw/zinc/03/04/42/935030442.db2.gz INNNGMDNXFDFMS-YPMHNXCESA-N 0 1 368.368 3.628 20 5 FHBDMN O=C(Nc1cccc(F)c1F)c1sc(Br)cc1[N+](=O)[O-] ZINC000446031267 935281140 /nfs/dbraw/zinc/28/11/40/935281140.db2.gz ZUTADZLCUGVBGR-UHFFFAOYSA-N 0 1 363.139 3.949 20 5 FHBDMN COc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051531711 935433855 /nfs/dbraw/zinc/43/38/55/935433855.db2.gz YKXQCXXYVKKZCL-FQEVSTJZSA-N 0 1 356.422 3.549 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000519108761 945115394 /nfs/dbraw/zinc/11/53/94/945115394.db2.gz YHDUGFRZQRWITE-MRXNPFEDSA-N 0 1 350.378 3.757 20 5 FHBDMN Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000023554691 935673300 /nfs/dbraw/zinc/67/33/00/935673300.db2.gz PUYPUFFRSDREMF-MRXNPFEDSA-N 0 1 359.451 3.532 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000562045915 935694060 /nfs/dbraw/zinc/69/40/60/935694060.db2.gz KDSVBPBTQDGQFV-IBGZPJMESA-N 0 1 367.449 3.631 20 5 FHBDMN CCc1cc(Br)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507316227 945128378 /nfs/dbraw/zinc/12/83/78/945128378.db2.gz TVOPQLOBKXELCG-UHFFFAOYSA-N 0 1 365.183 3.878 20 5 FHBDMN CCC[C@H](NCC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000479548275 935858660 /nfs/dbraw/zinc/85/86/60/935858660.db2.gz CFCPEAXBHVCPJW-IBGZPJMESA-N 0 1 353.422 3.568 20 5 FHBDMN Cc1ccc([C@H]2CCCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000158655991 935887490 /nfs/dbraw/zinc/88/74/90/935887490.db2.gz LYFXTDFANZBTRY-MRXNPFEDSA-N 0 1 357.410 3.712 20 5 FHBDMN NC(=O)c1ccc(CN2CCC[C@@H]2Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000140531258 945135956 /nfs/dbraw/zinc/13/59/56/945135956.db2.gz JCOFWJLSGPLGGT-MRXNPFEDSA-N 0 1 373.840 3.554 20 5 FHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccsc2)CC1 ZINC000075647632 936014411 /nfs/dbraw/zinc/01/44/11/936014411.db2.gz KYAUDJVXXIPKSN-ZDUSSCGKSA-N 0 1 359.451 3.612 20 5 FHBDMN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(Cl)cc1F ZINC000135672939 936089098 /nfs/dbraw/zinc/08/90/98/936089098.db2.gz HDHOXVHDRRIILN-UHFFFAOYSA-N 0 1 358.778 3.805 20 5 FHBDMN COc1ccc(C)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679341 936164612 /nfs/dbraw/zinc/16/46/12/936164612.db2.gz HYJCQCYHSHJUEG-HUUCEWRRSA-N 0 1 371.437 3.898 20 5 FHBDMN CC[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178678993 936168223 /nfs/dbraw/zinc/16/82/23/936168223.db2.gz YSXAHHVOLKNCAS-IAGOWNOFSA-N 0 1 357.385 3.580 20 5 FHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178682370 936173942 /nfs/dbraw/zinc/17/39/42/936173942.db2.gz ZDJOOJUYTXTUPG-KGLIPLIRSA-N 0 1 357.410 3.590 20 5 FHBDMN C[C@H]1CCCCN1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277918205 936174021 /nfs/dbraw/zinc/17/40/21/936174021.db2.gz PQSWSPQOHIABKK-HNNXBMFYSA-N 0 1 363.461 3.698 20 5 FHBDMN COCCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1scnc1C ZINC000426547286 945153424 /nfs/dbraw/zinc/15/34/24/945153424.db2.gz ZPCFXJRZRIXSFU-ZROIWOOFSA-N 0 1 361.467 3.912 20 5 FHBDMN COc1ccc([C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1 ZINC000161697180 936291952 /nfs/dbraw/zinc/29/19/52/936291952.db2.gz NOCWYZDFKBRXKY-LJQANCHMSA-N 0 1 372.421 3.957 20 5 FHBDMN C[N@@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000046599200 938303201 /nfs/dbraw/zinc/30/32/01/938303201.db2.gz XSFRZWRCFUUWCK-UHFFFAOYSA-N 0 1 352.394 3.709 20 5 FHBDMN CN(CCCc1nc(-c2ccccc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000046599200 938303204 /nfs/dbraw/zinc/30/32/04/938303204.db2.gz XSFRZWRCFUUWCK-UHFFFAOYSA-N 0 1 352.394 3.709 20 5 FHBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000179001145 938465208 /nfs/dbraw/zinc/46/52/08/938465208.db2.gz UUCCQKKLJIJOGF-OAHLLOKOSA-N 0 1 368.355 3.649 20 5 FHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccnc3)CC2)c2ccncc21 ZINC000278477602 938465461 /nfs/dbraw/zinc/46/54/61/938465461.db2.gz FBWMEXGSELWDJJ-UHFFFAOYSA-N 0 1 363.421 3.615 20 5 FHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472308464 938490955 /nfs/dbraw/zinc/49/09/55/938490955.db2.gz AABVJPZXPLEQOH-JFIYKMOQSA-N 0 1 367.449 3.875 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000584383178 938787741 /nfs/dbraw/zinc/78/77/41/938787741.db2.gz JTLZRGQTFZJPAC-UHFFFAOYSA-N 0 1 374.340 3.977 20 5 FHBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000082000296 938806884 /nfs/dbraw/zinc/80/68/84/938806884.db2.gz XOGHXYKVLZFJHJ-ONGXEEELSA-N 0 1 350.806 3.544 20 5 FHBDMN Cc1cc(N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611919005 938984820 /nfs/dbraw/zinc/98/48/20/938984820.db2.gz HABWUYNLVYEYMN-NSHDSACASA-N 0 1 363.377 3.628 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)c1[N+](=O)[O-] ZINC000611988605 939015307 /nfs/dbraw/zinc/01/53/07/939015307.db2.gz UXGCWJVVMZMLBI-MMQHEFTJSA-N 0 1 360.439 3.786 20 5 FHBDMN CC[C@H](C)N(C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000179323867 939086016 /nfs/dbraw/zinc/08/60/16/939086016.db2.gz KLMAXHOXGDKJEX-JTQLQIEISA-N 0 1 350.337 3.775 20 5 FHBDMN O=C(CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000511845873 945265942 /nfs/dbraw/zinc/26/59/42/945265942.db2.gz XUFOPIZIRRQYCI-YQVWRLOYSA-N 0 1 365.433 3.801 20 5 FHBDMN COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506771865 945275424 /nfs/dbraw/zinc/27/54/24/945275424.db2.gz AHSHFKQAFLGVNI-KRWDZBQOSA-N 0 1 358.394 3.826 20 5 FHBDMN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000179522617 939877239 /nfs/dbraw/zinc/87/72/39/939877239.db2.gz XUMOUTFNKIREGZ-CYBMUJFWSA-N 0 1 362.798 3.552 20 5 FHBDMN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000136249950 939907630 /nfs/dbraw/zinc/90/76/30/939907630.db2.gz AQKUGYRLTKCBPO-QGZVFWFLSA-N 0 1 362.345 3.584 20 5 FHBDMN CC(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000438958043 945283053 /nfs/dbraw/zinc/28/30/53/945283053.db2.gz LBUBGGFOAUNSJY-INIZCTEOSA-N 0 1 361.467 3.812 20 5 FHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000375831810 939952972 /nfs/dbraw/zinc/95/29/72/939952972.db2.gz AKZUEKMPCIFLDS-UHFFFAOYSA-N 0 1 356.426 3.571 20 5 FHBDMN Cc1nc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000411554590 940062059 /nfs/dbraw/zinc/06/20/59/940062059.db2.gz LKXLKJCKZXTQBS-MRXNPFEDSA-N 0 1 360.439 3.525 20 5 FHBDMN O=C(NCc1cnc[nH]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000612546356 940137045 /nfs/dbraw/zinc/13/70/45/940137045.db2.gz UDXKECMVOGWQTN-UHFFFAOYSA-N 0 1 360.439 3.530 20 5 FHBDMN CCc1ccc(-c2noc([C@H](C)NCc3cc(O)ccc3[N+](=O)[O-])n2)cc1 ZINC000580418453 940474477 /nfs/dbraw/zinc/47/44/77/940474477.db2.gz BPIHSZSMAFQXFE-LBPRGKRZSA-N 0 1 368.393 3.764 20 5 FHBDMN CCN(CC)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102572 945340837 /nfs/dbraw/zinc/34/08/37/945340837.db2.gz GVCDMMUYYPISCY-HNAYVOBHSA-N 0 1 355.438 3.855 20 5 FHBDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389246 940656958 /nfs/dbraw/zinc/65/69/58/940656958.db2.gz FYKBXYIGNBBUBE-AUUYWEPGSA-N 0 1 367.405 3.504 20 5 FHBDMN CC[C@@H](CO)N(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000613477548 940748406 /nfs/dbraw/zinc/74/84/06/940748406.db2.gz VURHAFUAMDERRI-HNNXBMFYSA-N 0 1 355.394 3.509 20 5 FHBDMN Cc1cccc2nc(CCC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH]c21 ZINC000174931682 940793636 /nfs/dbraw/zinc/79/36/36/940793636.db2.gz DZVMZHHALNXZAL-UHFFFAOYSA-N 0 1 352.394 3.968 20 5 FHBDMN CC[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257072 940845011 /nfs/dbraw/zinc/84/50/11/940845011.db2.gz LLQRASMGDWJDAY-WFASDCNBSA-N 0 1 370.375 3.986 20 5 FHBDMN CC[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257070 940845113 /nfs/dbraw/zinc/84/51/13/940845113.db2.gz LLQRASMGDWJDAY-SWLSCSKDSA-N 0 1 370.375 3.986 20 5 FHBDMN COc1c(O)ccc(CN[C@H](C)c2cccc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000892583074 940847688 /nfs/dbraw/zinc/84/76/88/940847688.db2.gz SAXCQZUECSSUCI-SNVBAGLBSA-N 0 1 368.336 3.761 20 5 FHBDMN COc1c(O)ccc(CN[C@H](C)c2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000892587880 940864195 /nfs/dbraw/zinc/86/41/95/940864195.db2.gz CIYMJVLSDYRJHT-CYBMUJFWSA-N 0 1 360.410 3.947 20 5 FHBDMN C[C@@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180450817 941018125 /nfs/dbraw/zinc/01/81/25/941018125.db2.gz HJXCAQGZDUPEGA-OLZOCXBDSA-N 0 1 361.829 3.776 20 5 FHBDMN C[C@@H](NCC(=O)N[C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180450850 941018325 /nfs/dbraw/zinc/01/83/25/941018325.db2.gz HJXCAQGZDUPEGA-CHWSQXEVSA-N 0 1 361.829 3.776 20 5 FHBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)c(C)cc1[N+](=O)[O-] ZINC000414369213 941059527 /nfs/dbraw/zinc/05/95/27/941059527.db2.gz DGYPDBKJEZXBNJ-UHFFFAOYSA-N 0 1 374.418 3.531 20 5 FHBDMN Cc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096427 941145451 /nfs/dbraw/zinc/14/54/51/941145451.db2.gz VUYCADGAXOBFBQ-LPHOPBHVSA-N 0 1 367.449 3.663 20 5 FHBDMN COc1cc(CNCc2cccc(CSC)c2)c([N+](=O)[O-])cc1OC ZINC000189484294 941159074 /nfs/dbraw/zinc/15/90/74/941159074.db2.gz GMQATEFJYRVTMN-UHFFFAOYSA-N 0 1 362.451 3.765 20 5 FHBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)c1ccccc1 ZINC000181533941 941528566 /nfs/dbraw/zinc/52/85/66/941528566.db2.gz MDZZOFWRJBZBAH-KGLIPLIRSA-N 0 1 352.394 3.927 20 5 FHBDMN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)c1ccccc1 ZINC000181537683 941538110 /nfs/dbraw/zinc/53/81/10/941538110.db2.gz CSTUKUGQXNWXJQ-ZIAGYGMSSA-N 0 1 352.394 3.927 20 5 FHBDMN COCCCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000473523393 941760078 /nfs/dbraw/zinc/76/00/78/941760078.db2.gz VPWVLPFQFAWOJA-GOSISDBHSA-N 0 1 358.394 3.588 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513275781 941825985 /nfs/dbraw/zinc/82/59/85/941825985.db2.gz KCCOKIHWRSJJKU-LIRRHRJNSA-N 0 1 353.422 3.925 20 5 FHBDMN CCN(Cc1ccccc1Cl)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433683659 941833146 /nfs/dbraw/zinc/83/31/46/941833146.db2.gz OPAICLLPUOWLHH-UHFFFAOYSA-N 0 1 350.806 3.757 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000433772179 941877820 /nfs/dbraw/zinc/87/78/20/941877820.db2.gz CBCDTUMNYSNZMS-OAHLLOKOSA-N 0 1 356.426 3.536 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000433849887 941948266 /nfs/dbraw/zinc/94/82/66/941948266.db2.gz VBQGTGYDZPIHAM-SECBINFHSA-N 0 1 352.341 3.553 20 5 FHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640478 941957100 /nfs/dbraw/zinc/95/71/00/941957100.db2.gz QCMJITRHRYXIFL-DYVFJYSZSA-N 0 1 365.389 3.797 20 5 FHBDMN Cn1ccnc1[C@H](N[C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513662649 942071696 /nfs/dbraw/zinc/07/16/96/942071696.db2.gz YGOPVIXAQXMFMV-AZUAARDMSA-N 0 1 362.433 3.565 20 5 FHBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1F ZINC000501901252 942106352 /nfs/dbraw/zinc/10/63/52/942106352.db2.gz SGQRCYYEFKZMRY-UHFFFAOYSA-N 0 1 365.792 3.848 20 5 FHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501953168 942136187 /nfs/dbraw/zinc/13/61/87/942136187.db2.gz ZCWHETAAZVDRJY-GDBMZVCRSA-N 0 1 373.478 3.954 20 5 FHBDMN O=[N+]([O-])c1ccc2ccnc(NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000413073827 942259748 /nfs/dbraw/zinc/25/97/48/942259748.db2.gz IPOURONVRFWNQR-UHFFFAOYSA-N 0 1 363.421 3.615 20 5 FHBDMN CC[C@@H]1C[C@@]1(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502525162 942499058 /nfs/dbraw/zinc/49/90/58/942499058.db2.gz UUYFJDUNFLDRQS-QRWLVFNGSA-N 0 1 353.422 3.757 20 5 FHBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000434226794 942534401 /nfs/dbraw/zinc/53/44/01/942534401.db2.gz ULWVAJKCJZXHNZ-GFCCVEGCSA-N 0 1 360.414 3.673 20 5 FHBDMN COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000413246425 942561066 /nfs/dbraw/zinc/56/10/66/942561066.db2.gz ZNDRTHQCHVRMNN-ROUUACIJSA-N 0 1 372.400 3.527 20 5 FHBDMN Cc1cc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc([N+](=O)[O-])c1 ZINC000425082724 942688241 /nfs/dbraw/zinc/68/82/41/942688241.db2.gz OVJAXWORPKYUOW-UHFFFAOYSA-N 0 1 374.466 3.769 20 5 FHBDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000183629712 942752253 /nfs/dbraw/zinc/75/22/53/942752253.db2.gz NENFSCQMLWULBA-AWEZNQCLSA-N 0 1 367.405 3.963 20 5 FHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@H](C2CCCC2)C1 ZINC000421947779 942901228 /nfs/dbraw/zinc/90/12/28/942901228.db2.gz KDDVYSBELKDBAN-HNNXBMFYSA-N 0 1 354.410 3.637 20 5 FHBDMN Cc1ccc([C@]2(C)CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000434744332 942937003 /nfs/dbraw/zinc/93/70/03/942937003.db2.gz HXDQZBFMPBYTNY-OAQYLSRUSA-N 0 1 368.433 3.933 20 5 FHBDMN CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503082081 942965582 /nfs/dbraw/zinc/96/55/82/942965582.db2.gz FAYRLDSDXYCATN-HNNXBMFYSA-N 0 1 371.437 3.930 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434906337 943043160 /nfs/dbraw/zinc/04/31/60/943043160.db2.gz UABCDNBGRRDXQY-YJBOKZPZSA-N 0 1 353.422 3.720 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434906334 943043370 /nfs/dbraw/zinc/04/33/70/943043370.db2.gz UABCDNBGRRDXQY-CRAIPNDOSA-N 0 1 353.422 3.720 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000434188672 943055563 /nfs/dbraw/zinc/05/55/63/943055563.db2.gz JORMGDKXCXFKGO-UHFFFAOYSA-N 0 1 374.416 3.675 20 5 FHBDMN O=[N+]([O-])c1ccccc1N1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000505577571 943056588 /nfs/dbraw/zinc/05/65/88/943056588.db2.gz YHJRHFSHUGHUBP-UHFFFAOYSA-N 0 1 374.444 3.979 20 5 FHBDMN Cc1c(CN[C@H](Cn2ccccc2=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503270652 943094303 /nfs/dbraw/zinc/09/43/03/943094303.db2.gz PSQJFKYMSCULNH-LJQANCHMSA-N 0 1 363.417 3.596 20 5 FHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425275259 943160125 /nfs/dbraw/zinc/16/01/25/943160125.db2.gz NJDARCBXYDIORJ-LAUBAEHRSA-N 0 1 365.433 3.508 20 5 FHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000514910372 943381311 /nfs/dbraw/zinc/38/13/11/943381311.db2.gz SHMSUYZMGSEKLC-MEJTZIMASA-N 0 1 358.360 3.633 20 5 FHBDMN C[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC000690822926 943513954 /nfs/dbraw/zinc/51/39/54/943513954.db2.gz JMZGVDPVJIILCC-YPMHNXCESA-N 0 1 355.460 3.534 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000504336634 943599801 /nfs/dbraw/zinc/59/98/01/943599801.db2.gz OLWIECGOHGMYPB-CDNLZTBQSA-N 0 1 362.389 3.789 20 5 FHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000504591736 943703541 /nfs/dbraw/zinc/70/35/41/943703541.db2.gz JOTWUUMGKWQYFQ-UONOGXRCSA-N 0 1 365.499 3.652 20 5 FHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cc(Cl)c2c(c1)OCCO2 ZINC000516877709 943787379 /nfs/dbraw/zinc/78/73/79/943787379.db2.gz KHWRYJWTLYLKOF-OAHLLOKOSA-N 0 1 360.797 3.797 20 5 FHBDMN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000516897921 943814170 /nfs/dbraw/zinc/81/41/70/943814170.db2.gz KMQXBXIYIMGSNI-LPHOPBHVSA-N 0 1 369.465 3.991 20 5 FHBDMN CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000516897922 943814406 /nfs/dbraw/zinc/81/44/06/943814406.db2.gz KMQXBXIYIMGSNI-QFBILLFUSA-N 0 1 369.465 3.991 20 5 FHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424319103 943842062 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FHBDMN COc1ccc2c(c1)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)CCS2 ZINC000276169293 931966241 /nfs/dbraw/zinc/96/62/41/931966241.db2.gz SHHUKBGUBZTYCL-OAHLLOKOSA-N 0 1 360.435 3.939 20 5 FHBDMN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc([N+](=O)[O-])c(F)c3)ccc2NC1=O ZINC000276312099 932173301 /nfs/dbraw/zinc/17/33/01/932173301.db2.gz MNZWSPMKDNMCKO-PIGZYNQJSA-N 0 1 373.384 3.694 20 5 FHBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000276350364 932237102 /nfs/dbraw/zinc/23/71/02/932237102.db2.gz WDKOIHJCKCIJEP-LBPRGKRZSA-N 0 1 359.357 3.541 20 5 FHBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000022610890 932585619 /nfs/dbraw/zinc/58/56/19/932585619.db2.gz GMFKSIVCSCHHCN-UHFFFAOYSA-N 0 1 373.840 3.596 20 5 FHBDMN CCc1nc(CSc2nc3cc4ccccc4cc3c(=O)n2CC)n[nH]1 ZINC000130170958 932629346 /nfs/dbraw/zinc/62/93/46/932629346.db2.gz WXVLMKCZLPFSTO-UHFFFAOYSA-N 0 1 365.462 3.542 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510471362 932800436 /nfs/dbraw/zinc/80/04/36/932800436.db2.gz LAKZRLUVFJZXLK-GOSISDBHSA-N 0 1 366.421 3.790 20 5 FHBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000276661460 932820304 /nfs/dbraw/zinc/82/03/04/932820304.db2.gz RWNJBSPRGVPSEI-CQSZACIVSA-N 0 1 364.409 3.523 20 5 FHBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000276661460 932820317 /nfs/dbraw/zinc/82/03/17/932820317.db2.gz RWNJBSPRGVPSEI-CQSZACIVSA-N 0 1 364.409 3.523 20 5 FHBDMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000178206710 932879907 /nfs/dbraw/zinc/87/99/07/932879907.db2.gz HPRCUEFRMUVHEA-AWEZNQCLSA-N 0 1 357.410 3.671 20 5 FHBDMN Cc1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1[N+](=O)[O-] ZINC000175973336 932929948 /nfs/dbraw/zinc/92/99/48/932929948.db2.gz GBZJOMTTXITVFV-UHFFFAOYSA-N 0 1 373.390 3.723 20 5 FHBDMN CC(C)c1nc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000535687006 934281070 /nfs/dbraw/zinc/28/10/70/934281070.db2.gz XRBXGARPQPPNFP-QMMMGPOBSA-N 0 1 354.208 3.772 20 5 FHBDMN Cc1noc(C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277042877 934464379 /nfs/dbraw/zinc/46/43/79/934464379.db2.gz GIEVAVFYVUSEJD-UGSOOPFHSA-N 0 1 352.394 3.921 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000610921665 934622802 /nfs/dbraw/zinc/62/28/02/934622802.db2.gz KFJRHILTVVGEBQ-OAHLLOKOSA-N 0 1 356.426 3.851 20 5 FHBDMN CCc1ccc(C(=O)NC[C@@H](c2ccco2)N(CC)CC)cc1[N+](=O)[O-] ZINC000472007718 934820301 /nfs/dbraw/zinc/82/03/01/934820301.db2.gz FRRLNGMMLJQIDH-KRWDZBQOSA-N 0 1 359.426 3.563 20 5 FHBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)c(SC)cc1OC ZINC000327479881 934860225 /nfs/dbraw/zinc/86/02/25/934860225.db2.gz DLZIUZFAEIYSHD-UHFFFAOYSA-N 0 1 362.451 3.932 20 5 FHBDMN CC[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000506716421 945071960 /nfs/dbraw/zinc/07/19/60/945071960.db2.gz CASISDKERWLWPK-CQSZACIVSA-N 0 1 364.785 3.541 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000127596584 935652223 /nfs/dbraw/zinc/65/22/23/935652223.db2.gz DYPSAYDWHSTQMK-QGZVFWFLSA-N 0 1 374.416 3.775 20 5 FHBDMN Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000023554695 935673438 /nfs/dbraw/zinc/67/34/38/935673438.db2.gz PUYPUFFRSDREMF-INIZCTEOSA-N 0 1 359.451 3.532 20 5 FHBDMN CC(C)c1nc([C@@H]2CCCCN2c2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000582447274 935721535 /nfs/dbraw/zinc/72/15/35/935721535.db2.gz DTEQHSGEXCPCGP-NSHDSACASA-N 0 1 350.810 3.616 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000507290363 945119241 /nfs/dbraw/zinc/11/92/41/945119241.db2.gz IZNGJUQXSRXALJ-QGZVFWFLSA-N 0 1 362.332 3.946 20 5 FHBDMN Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000092783951 935921713 /nfs/dbraw/zinc/92/17/13/935921713.db2.gz IPVWIBOSYIUJKH-GOSISDBHSA-N 0 1 367.449 3.545 20 5 FHBDMN CC(C)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000075606233 936013078 /nfs/dbraw/zinc/01/30/78/936013078.db2.gz LWMXFGIAWWVERL-UHFFFAOYSA-N 0 1 351.756 3.797 20 5 FHBDMN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000135619507 936033324 /nfs/dbraw/zinc/03/33/24/936033324.db2.gz SBPLAOZBMDLTNY-LLVKDONJSA-N 0 1 372.812 3.828 20 5 FHBDMN Cc1ccccc1CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680481 936173035 /nfs/dbraw/zinc/17/30/35/936173035.db2.gz PLIOJUOOMDMHBZ-IAGOWNOFSA-N 0 1 369.465 3.610 20 5 FHBDMN CCOc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178688516 936210648 /nfs/dbraw/zinc/21/06/48/936210648.db2.gz WDFCCNBAHCZIPT-GJZGRUSLSA-N 0 1 371.437 3.980 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000583829075 938434578 /nfs/dbraw/zinc/43/45/78/938434578.db2.gz JWKUJRPFLZJBND-OAHLLOKOSA-N 0 1 371.437 3.980 20 5 FHBDMN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000161929382 938463429 /nfs/dbraw/zinc/46/34/29/938463429.db2.gz OERCMBJJHAMGRN-INIZCTEOSA-N 0 1 355.438 3.603 20 5 FHBDMN CCN(CC)CC(=O)Nc1cccc(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000584195237 938636152 /nfs/dbraw/zinc/63/61/52/938636152.db2.gz SEGJHSMBDNACQG-UHFFFAOYSA-N 0 1 370.453 3.796 20 5 FHBDMN CCN(CC)C(=O)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000584420724 938847059 /nfs/dbraw/zinc/84/70/59/938847059.db2.gz RTZJTGCFEHQPAK-LJQANCHMSA-N 0 1 367.449 3.854 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000519202075 945212098 /nfs/dbraw/zinc/21/20/98/945212098.db2.gz XTSLNDUAEOFKOH-UHFFFAOYSA-N 0 1 358.778 3.751 20 5 FHBDMN C[C@@H]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001211734423 939000989 /nfs/dbraw/zinc/00/09/89/939000989.db2.gz KZRFCXIMSBGLQQ-RKDXNWHRSA-N 0 1 367.254 3.616 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472352522 939015900 /nfs/dbraw/zinc/01/59/00/939015900.db2.gz ZPMLZUMIXUQGGH-SJLPKXTDSA-N 0 1 367.449 3.795 20 5 FHBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccnc2c1C ZINC000437318906 945238356 /nfs/dbraw/zinc/23/83/56/945238356.db2.gz QCGKJQNPFOSUNW-UHFFFAOYSA-N 0 1 371.418 3.869 20 5 FHBDMN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437333718 945255631 /nfs/dbraw/zinc/25/56/31/945255631.db2.gz CVZPYOQBRLZDQZ-YMTOWFKASA-N 0 1 374.759 3.550 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000177129660 939943301 /nfs/dbraw/zinc/94/33/01/939943301.db2.gz WKTWZWSSMFEGEZ-WBVHZDCISA-N 0 1 360.410 3.675 20 5 FHBDMN COc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000179828268 939966654 /nfs/dbraw/zinc/96/66/54/939966654.db2.gz MBYJXPYDSFCMBC-UHFFFAOYSA-N 0 1 362.292 3.670 20 5 FHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCN(Cc2ccccc2)CC1 ZINC000516595521 940013667 /nfs/dbraw/zinc/01/36/67/940013667.db2.gz ITVILVPTRXBYHA-UHFFFAOYSA-N 0 1 353.422 3.510 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](Cc2ccncc2)C1 ZINC000612432571 940065639 /nfs/dbraw/zinc/06/56/39/940065639.db2.gz ZXDOGILXFSFZFA-KRWDZBQOSA-N 0 1 355.438 3.842 20 5 FHBDMN CSc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000507521481 945299049 /nfs/dbraw/zinc/29/90/49/945299049.db2.gz YLTRGROOQQYWAQ-FZKQIMNGSA-N 0 1 371.462 3.773 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180008677 940221424 /nfs/dbraw/zinc/22/14/24/940221424.db2.gz GIKYQGIKDCERCE-YLJYHZDGSA-N 0 1 367.449 3.695 20 5 FHBDMN CCSc1cccc(F)c1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000579901720 940420357 /nfs/dbraw/zinc/42/03/57/940420357.db2.gz DZDPIWZCVULPOQ-UHFFFAOYSA-N 0 1 370.427 3.955 20 5 FHBDMN COc1cc2c(cc1CN[C@@H]1CCc3c1cccc3[N+](=O)[O-])O[C@H](C)C2 ZINC000580094005 940451370 /nfs/dbraw/zinc/45/13/70/940451370.db2.gz LAQGNRWXWWECQR-SJKOYZFVSA-N 0 1 354.406 3.704 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1Cl ZINC000580608201 940482321 /nfs/dbraw/zinc/48/23/21/940482321.db2.gz GYUVDMHGFXDFNM-UHFFFAOYSA-N 0 1 370.814 3.620 20 5 FHBDMN Cc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000066445380 940489173 /nfs/dbraw/zinc/48/91/73/940489173.db2.gz BNIQWLQNVGPTIE-KRWDZBQOSA-N 0 1 366.377 3.883 20 5 FHBDMN COc1ccc(OCCN2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173535931 940638654 /nfs/dbraw/zinc/63/86/54/940638654.db2.gz GJDPDMBYMPPYTE-UHFFFAOYSA-N 0 1 366.458 3.509 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCC1CCCCC1 ZINC000507605612 945352673 /nfs/dbraw/zinc/35/26/73/945352673.db2.gz AYWQQTVJALHTHO-CQSZACIVSA-N 0 1 363.458 3.833 20 5 FHBDMN CSc1ccc(CN(C)C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180394208 941003757 /nfs/dbraw/zinc/00/37/57/941003757.db2.gz HLLCJKLXSVCQTO-AWEZNQCLSA-N 0 1 373.478 3.626 20 5 FHBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1nc(-c2ccccc2)no1 ZINC000583051260 941013669 /nfs/dbraw/zinc/01/36/69/941013669.db2.gz HHTDGCLZWUKYGP-YRNVUSSQSA-N 0 1 364.405 3.833 20 5 FHBDMN CCN(C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000180446778 941017788 /nfs/dbraw/zinc/01/77/88/941017788.db2.gz OWIGCYAXZYAWJL-LSDHHAIUSA-N 0 1 373.428 3.994 20 5 FHBDMN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCN(c3ccccn3)C2)c2ccccc2)c1 ZINC000181012399 941102749 /nfs/dbraw/zinc/10/27/49/941102749.db2.gz CPMOOALNSODZQJ-UGKGYDQZSA-N 0 1 374.444 3.948 20 5 FHBDMN Cc1ccc(CN2CC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000189099246 941145446 /nfs/dbraw/zinc/14/54/46/941145446.db2.gz PWFKSOUXWBGABM-VQIMIIECSA-N 0 1 367.449 3.663 20 5 FHBDMN Cc1ccc(CN2CC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000189099224 941145492 /nfs/dbraw/zinc/14/54/92/941145492.db2.gz PWFKSOUXWBGABM-APWZRJJASA-N 0 1 367.449 3.663 20 5 FHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1(c2ccccc2)CC1 ZINC000189287050 941155363 /nfs/dbraw/zinc/15/53/63/941155363.db2.gz JQDQCXLKCMJQKT-OAHLLOKOSA-N 0 1 353.422 3.585 20 5 FHBDMN C[C@@H]1[C@H](NCc2csc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000189528534 941160720 /nfs/dbraw/zinc/16/07/20/941160720.db2.gz AEUWCGIGMRMDEY-DGCLKSJQSA-N 0 1 355.460 3.534 20 5 FHBDMN Cc1ccc2nc([C@@H]3CCCN3c3nc4cc([N+](=O)[O-])ccc4[nH]3)[nH]c2c1 ZINC000573059359 941163603 /nfs/dbraw/zinc/16/36/03/941163603.db2.gz ZXRYWKCYZMNFLE-KRWDZBQOSA-N 0 1 362.393 3.997 20 5 FHBDMN Cc1c(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000181432207 941220481 /nfs/dbraw/zinc/22/04/81/941220481.db2.gz LFJGMGDVQXLMJM-OAHLLOKOSA-N 0 1 353.422 3.881 20 5 FHBDMN CCC(=O)c1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000377087061 941511790 /nfs/dbraw/zinc/51/17/90/941511790.db2.gz SDOHRPQQQHPRGO-KRWDZBQOSA-N 0 1 351.366 3.507 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](n4cncn4)C3)o2)c(Cl)c1 ZINC000377282149 941617422 /nfs/dbraw/zinc/61/74/22/941617422.db2.gz BKOJRVKPPKVWLU-CYBMUJFWSA-N 0 1 373.800 3.547 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](n4cncn4)C3)o2)c(Cl)c1 ZINC000377282149 941617426 /nfs/dbraw/zinc/61/74/26/941617426.db2.gz BKOJRVKPPKVWLU-CYBMUJFWSA-N 0 1 373.800 3.547 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513275780 941826135 /nfs/dbraw/zinc/82/61/35/941826135.db2.gz KCCOKIHWRSJJKU-KUHUBIRLSA-N 0 1 353.422 3.925 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000433771413 941878069 /nfs/dbraw/zinc/87/80/69/941878069.db2.gz PSZMIGMBQFEBDP-ZDUSSCGKSA-N 0 1 356.426 3.882 20 5 FHBDMN COc1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000051120081 941895234 /nfs/dbraw/zinc/89/52/34/941895234.db2.gz UQZCXPPAKTYZRX-UHFFFAOYSA-N 0 1 355.438 3.836 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1[N+](=O)[O-] ZINC000433830072 941925938 /nfs/dbraw/zinc/92/59/38/941925938.db2.gz HCJATALRSNIZOF-BXUZGUMPSA-N 0 1 372.425 3.963 20 5 FHBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000473531161 942024851 /nfs/dbraw/zinc/02/48/51/942024851.db2.gz PEZUDCRGZZTXEJ-AWEZNQCLSA-N 0 1 356.426 3.517 20 5 FHBDMN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678021 942069855 /nfs/dbraw/zinc/06/98/55/942069855.db2.gz GXBOVHFKGBZIAB-IFXJQAMLSA-N 0 1 368.412 3.950 20 5 FHBDMN CSc1cccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)c1[N+](=O)[O-] ZINC000549372383 942073924 /nfs/dbraw/zinc/07/39/24/942073924.db2.gz RWJLZIKFOSWJQX-UHFFFAOYSA-N 0 1 371.422 3.511 20 5 FHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501953169 942136729 /nfs/dbraw/zinc/13/67/29/942136729.db2.gz ZCWHETAAZVDRJY-ZBFHGGJFSA-N 0 1 373.478 3.954 20 5 FHBDMN Cc1c(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cccc1[N+](=O)[O-] ZINC000183148969 942184440 /nfs/dbraw/zinc/18/44/40/942184440.db2.gz YCWJIRRSYYAJOX-UHFFFAOYSA-N 0 1 368.359 3.956 20 5 FHBDMN Cc1cc(Cl)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000183165871 942204313 /nfs/dbraw/zinc/20/43/13/942204313.db2.gz KIWAQKGGJPNBEA-UHFFFAOYSA-N 0 1 371.784 3.902 20 5 FHBDMN CC[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CC)O1 ZINC000420950079 942271385 /nfs/dbraw/zinc/27/13/85/942271385.db2.gz FZYPQPPBGZONMT-IRXDYDNUSA-N 0 1 359.426 3.682 20 5 FHBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000137036056 942286913 /nfs/dbraw/zinc/28/69/13/942286913.db2.gz INLURCFAXCBDRK-LLVKDONJSA-N 0 1 370.340 3.740 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CC(F)F)c1ccccc1 ZINC000421003107 942298145 /nfs/dbraw/zinc/29/81/45/942298145.db2.gz YUMADCPHIDDEHW-MRXNPFEDSA-N 0 1 363.364 3.828 20 5 FHBDMN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000434427048 942654803 /nfs/dbraw/zinc/65/48/03/942654803.db2.gz YADORGGGVQREAO-HNNXBMFYSA-N 0 1 359.451 3.556 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425091272 942748927 /nfs/dbraw/zinc/74/89/27/942748927.db2.gz YMFWJNKVDKSUPI-UHFFFAOYSA-N 0 1 374.466 3.769 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000421742272 942790991 /nfs/dbraw/zinc/79/09/91/942790991.db2.gz RLHIITPRBDZFPS-KRWDZBQOSA-N 0 1 373.478 3.840 20 5 FHBDMN Cn1cnc([N+](=O)[O-])c1CNC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505503845 942935166 /nfs/dbraw/zinc/93/51/66/942935166.db2.gz WIVYUFIIPWRZTA-UHFFFAOYSA-N 0 1 368.359 3.906 20 5 FHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434895770 943033986 /nfs/dbraw/zinc/03/39/86/943033986.db2.gz NBGOYQORBFCDCA-ZMSDIMECSA-N 0 1 353.422 3.800 20 5 FHBDMN O=[N+]([O-])c1cnn(CCN(Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000434906524 943044020 /nfs/dbraw/zinc/04/40/20/943044020.db2.gz NKXXTNGONHNDNH-UHFFFAOYSA-N 0 1 350.369 3.514 20 5 FHBDMN C[C@H]1C[C@]1(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503368736 943143642 /nfs/dbraw/zinc/14/36/42/943143642.db2.gz NVMHDBRYOQQMED-ORAYPTAESA-N 0 1 373.840 3.736 20 5 FHBDMN C[C@@H]1C[C@]1(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380227 943156587 /nfs/dbraw/zinc/15/65/87/943156587.db2.gz VUJKMJLYFHCPLX-KZULUSFZSA-N 0 1 359.813 3.712 20 5 FHBDMN COc1cccc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000505637247 943269508 /nfs/dbraw/zinc/26/95/08/943269508.db2.gz RGBUQKCAVHQTLR-INIZCTEOSA-N 0 1 355.438 3.795 20 5 FHBDMN O=C(NC1(c2ccccc2)CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505655334 943318166 /nfs/dbraw/zinc/31/81/66/943318166.db2.gz FKTGMEPRGBOYBO-UHFFFAOYSA-N 0 1 350.378 3.670 20 5 FHBDMN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000435719254 943579149 /nfs/dbraw/zinc/57/91/49/943579149.db2.gz KDBQQIHOADQLJW-UHFFFAOYSA-N 0 1 370.814 3.674 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424256626 943808379 /nfs/dbraw/zinc/80/83/79/943808379.db2.gz JIQPLIKEWKIEIW-OAHLLOKOSA-N 0 1 350.415 3.601 20 5 FHBDMN CC(C)c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000417706234 943842164 /nfs/dbraw/zinc/84/21/64/943842164.db2.gz OTMNPXQVSNMCQK-UHFFFAOYSA-N 0 1 369.421 3.979 20 5 FHBDMN CC[C@H](c1ccccc1)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000566510107 943895069 /nfs/dbraw/zinc/89/50/69/943895069.db2.gz JFMIFNKMCYJEMX-MRXNPFEDSA-N 0 1 358.394 3.512 20 5 FHBDMN CC(C)C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000505736293 943909290 /nfs/dbraw/zinc/90/92/90/943909290.db2.gz ODDZODOXGJJHJT-KRWDZBQOSA-N 0 1 368.393 3.694 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000517064076 943965074 /nfs/dbraw/zinc/96/50/74/943965074.db2.gz ZPNIEVIFTKPTHO-UHFFFAOYSA-N 0 1 358.778 3.751 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000506102248 944037385 /nfs/dbraw/zinc/03/73/85/944037385.db2.gz JDEONIJEIQTZCA-UHFFFAOYSA-N 0 1 358.369 3.534 20 5 FHBDMN CC[C@@H](C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000505799448 944225868 /nfs/dbraw/zinc/22/58/68/944225868.db2.gz QOPBIVHUTIZPAP-PIGZYNQJSA-N 0 1 368.393 3.694 20 5 FHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000425941645 944287390 /nfs/dbraw/zinc/28/73/90/944287390.db2.gz JYQFDGNGLUCKOV-UHFFFAOYSA-N 0 1 374.418 3.531 20 5 FHBDMN COc1cc(CN(CCCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184231469 944288247 /nfs/dbraw/zinc/28/82/47/944288247.db2.gz ULYCEXXUGYGBHR-SFHVURJKSA-N 0 1 374.412 3.614 20 5 FHBDMN O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)[nH]n2)c2ccncc21 ZINC000436424585 944308703 /nfs/dbraw/zinc/30/87/03/944308703.db2.gz GJVYEVBQDGDWMB-UHFFFAOYSA-N 0 1 360.377 3.583 20 5 FHBDMN CSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000500235703 944315587 /nfs/dbraw/zinc/31/55/87/944315587.db2.gz DCYNIOLQTHCRMI-STQMWFEESA-N 0 1 359.451 3.995 20 5 FHBDMN CC1(C)C[C@@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000425550472 944317371 /nfs/dbraw/zinc/31/73/71/944317371.db2.gz ZKJWDYUZXCUNNA-SFHVURJKSA-N 0 1 353.422 3.667 20 5 FHBDMN CSc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000500242629 944318945 /nfs/dbraw/zinc/31/89/45/944318945.db2.gz AGLZQXCCUIYJGJ-ZDUSSCGKSA-N 0 1 371.462 3.557 20 5 FHBDMN Cc1cccc(OCc2nnc(SCc3cc(O)ccc3[N+](=O)[O-])o2)c1 ZINC000436473622 944353674 /nfs/dbraw/zinc/35/36/74/944353674.db2.gz JKHWLRNEUBHCBD-UHFFFAOYSA-N 0 1 373.390 3.863 20 5 FHBDMN Cc1ccc(-c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2C)cc1 ZINC000436473061 944354669 /nfs/dbraw/zinc/35/46/69/944354669.db2.gz DHVXPROLHMDDKL-UHFFFAOYSA-N 0 1 356.407 3.697 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000123720116 944414088 /nfs/dbraw/zinc/41/40/88/944414088.db2.gz NAPJIGXQRHYSSW-HOCLYGCPSA-N 0 1 370.327 3.742 20 5 FHBDMN CC[C@H](NCc1cc2ccccc2n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000426311460 944428794 /nfs/dbraw/zinc/42/87/94/944428794.db2.gz NVVAKYOXSURDHJ-SFHVURJKSA-N 0 1 351.406 3.688 20 5 FHBDMN CN(c1ccccc1)c1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000438325621 944509746 /nfs/dbraw/zinc/50/97/46/944509746.db2.gz NJSJBNMBPPUNFI-FQEVSTJZSA-N 0 1 369.465 3.956 20 5 FHBDMN Cc1nc2ccc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2s1 ZINC000426401935 944678809 /nfs/dbraw/zinc/67/88/09/944678809.db2.gz PWWHKHFNKMZXFJ-AWEZNQCLSA-N 0 1 369.450 3.594 20 5 FHBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438502353 944699644 /nfs/dbraw/zinc/69/96/44/944699644.db2.gz VZRGSXSQYBQZNK-HRAATJIYSA-N 0 1 367.449 3.894 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)c3c(F)cccc3F)o2)cc1 ZINC000123974244 944785998 /nfs/dbraw/zinc/78/59/98/944785998.db2.gz PHMMMEWAVXBHIL-QGZVFWFLSA-N 0 1 374.343 3.956 20 5 FHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436963550 944841601 /nfs/dbraw/zinc/84/16/01/944841601.db2.gz ZSDQRODGLJBZAN-CQSZACIVSA-N 0 1 369.421 3.927 20 5 FHBDMN COc1cccc(C2(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCCC2)c1 ZINC000506329895 944945248 /nfs/dbraw/zinc/94/52/48/944945248.db2.gz HOKACXQUYTZIBC-UHFFFAOYSA-N 0 1 370.405 3.551 20 5 FHBDMN O=[N+]([O-])c1cc(F)c(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(F)c1 ZINC000511754840 945024611 /nfs/dbraw/zinc/02/46/11/945024611.db2.gz JMEAFVSQKQVWJK-WRWLIDTKSA-N 0 1 374.387 3.878 20 5 FHBDMN Cc1ccccc1[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000507208471 945041295 /nfs/dbraw/zinc/04/12/95/945041295.db2.gz QLQFBAAYCZAFDG-INIZCTEOSA-N 0 1 353.422 3.640 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cc2ccccc2o1 ZINC000181759790 945747988 /nfs/dbraw/zinc/74/79/88/945747988.db2.gz JHQUQKNPPMAOCW-CYBMUJFWSA-N 0 1 353.378 3.939 20 5 FHBDMN CC(=O)N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000519833052 945796281 /nfs/dbraw/zinc/79/62/81/945796281.db2.gz KXJXTSSOECJHIQ-MSOLQXFVSA-N 0 1 351.406 3.670 20 5 FHBDMN COc1cc(CNC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000186439699 945926945 /nfs/dbraw/zinc/92/69/45/945926945.db2.gz UKXDMKAFOPPVKA-CYBMUJFWSA-N 0 1 370.327 3.745 20 5 FHBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2F)C2CCCCC2)c1[N+](=O)[O-] ZINC000444173846 946032041 /nfs/dbraw/zinc/03/20/41/946032041.db2.gz VGQJNQAQIYGHJV-UHFFFAOYSA-N 0 1 374.416 3.995 20 5 FHBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000522894107 946075202 /nfs/dbraw/zinc/07/52/02/946075202.db2.gz LUYHIRJGZANDCF-UHFFFAOYSA-N 0 1 365.861 3.586 20 5 FHBDMN CCN(CCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052970484 946552591 /nfs/dbraw/zinc/55/25/91/946552591.db2.gz IDZJCRNWQOVMJD-UHFFFAOYSA-N 0 1 352.394 3.709 20 5 FHBDMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000475278424 946796621 /nfs/dbraw/zinc/79/66/21/946796621.db2.gz WARHBNODKHYXQT-XHDPSFHLSA-N 0 1 368.359 3.768 20 5 FHBDMN CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475319799 946852536 /nfs/dbraw/zinc/85/25/36/946852536.db2.gz IJSRVXLJRYQMEM-IBGZPJMESA-N 0 1 367.449 3.504 20 5 FHBDMN CCC[N@@H+](CCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000184509877 946920862 /nfs/dbraw/zinc/92/08/62/946920862.db2.gz FWEIASZVNZMRAO-UHFFFAOYSA-N 0 1 361.467 3.574 20 5 FHBDMN CCCN(CCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000184509877 946920868 /nfs/dbraw/zinc/92/08/68/946920868.db2.gz FWEIASZVNZMRAO-UHFFFAOYSA-N 0 1 361.467 3.574 20 5 FHBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000444356821 947123038 /nfs/dbraw/zinc/12/30/38/947123038.db2.gz FMIBOJFZVOKIQU-BFYDXBDKSA-N 0 1 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FHBDMN CC(C)(C)c1nc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000032465252 568391078 /nfs/dbraw/zinc/39/10/78/568391078.db2.gz YPMWSYMNFRFGOA-UHFFFAOYSA-N 0 1 368.393 3.786 20 5 FHBDMN O=C([O-])[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000833170502 600744879 /nfs/dbraw/zinc/74/48/79/600744879.db2.gz WOLMHIPJHXOFTO-CQSZACIVSA-N 0 1 355.177 3.817 20 5 FHBDMN CC[C@H]([NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000828982379 601380316 /nfs/dbraw/zinc/38/03/16/601380316.db2.gz CSVFBXHMIRUCAB-DOMZBBRYSA-N 0 1 373.409 3.550 20 5 FHBDMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833178936 601431875 /nfs/dbraw/zinc/43/18/75/601431875.db2.gz KOWJUYXJTKWERW-CJNGLKHVSA-N 0 1 373.409 3.591 20 5 FHBDMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833178936 601431876 /nfs/dbraw/zinc/43/18/76/601431876.db2.gz KOWJUYXJTKWERW-CJNGLKHVSA-N 0 1 373.409 3.591 20 5 FHBDMN 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VHJFCWVOYLUMII-DNVCBOLYSA-N 0 1 370.405 3.540 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000539090506 935015905 /nfs/dbraw/zinc/01/59/05/935015905.db2.gz MAGPHACHSFNSOE-YZVOILCLSA-N 0 1 353.422 3.748 20 5 FHBDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000263094350 935018132 /nfs/dbraw/zinc/01/81/32/935018132.db2.gz UYSGKDDNADUTRZ-OCCSQVGLSA-N 0 1 360.435 3.866 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000505988578 945091578 /nfs/dbraw/zinc/09/15/78/945091578.db2.gz VMVQGTLBEGJQNO-UHFFFAOYSA-N 0 1 354.341 3.993 20 5 FHBDMN COCCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000426531391 945093710 /nfs/dbraw/zinc/09/37/10/945093710.db2.gz SJBYLDWFUHANBT-AWEZNQCLSA-N 0 1 362.451 3.561 20 5 FHBDMN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000478311992 935613198 /nfs/dbraw/zinc/61/31/98/935613198.db2.gz WWQDCIIABXHVHW-UHFFFAOYSA-N 0 1 358.684 3.808 20 5 FHBDMN O=C(NCCCOc1ccc2ccccc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507307753 945121700 /nfs/dbraw/zinc/12/17/00/945121700.db2.gz ZHJMFKFJDKWLCF-UHFFFAOYSA-N 0 1 366.373 3.653 20 5 FHBDMN CCC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000479851216 935905044 /nfs/dbraw/zinc/90/50/44/935905044.db2.gz KOHOOQGSWBHPMF-QGZVFWFLSA-N 0 1 353.422 3.874 20 5 FHBDMN CCOc1ccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000611480855 935972321 /nfs/dbraw/zinc/97/23/21/935972321.db2.gz HWEHLNUEOARLDY-CYBMUJFWSA-N 0 1 353.382 3.747 20 5 FHBDMN CC(C)OC1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560819 935989798 /nfs/dbraw/zinc/98/97/98/935989798.db2.gz DJSOPKQJGSFQJG-NKELODKYSA-N 0 1 372.469 3.744 20 5 FHBDMN Cc1n[nH]cc1CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000075783309 936019674 /nfs/dbraw/zinc/01/96/74/936019674.db2.gz ZOJDIRVWZPZFHF-UHFFFAOYSA-N 0 1 351.410 3.684 20 5 FHBDMN O=C(NC1(c2ccc(F)cc2)CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110887359 945142149 /nfs/dbraw/zinc/14/21/49/945142149.db2.gz KWWAMXPMZATDLH-UHFFFAOYSA-N 0 1 368.368 3.810 20 5 FHBDMN O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000440000362 945150061 /nfs/dbraw/zinc/15/00/61/945150061.db2.gz OSENSIXMCHPBRD-CQSZACIVSA-N 0 1 370.331 3.712 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000178680218 936172178 /nfs/dbraw/zinc/17/21/78/936172178.db2.gz CYRLDHYZMQZRBC-RYUDHWBXSA-N 0 1 363.364 3.859 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000507328568 945148547 /nfs/dbraw/zinc/14/85/47/945148547.db2.gz UOOBVDHWICVHBS-UHFFFAOYSA-N 0 1 358.781 3.883 20 5 FHBDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543853325 938398902 /nfs/dbraw/zinc/39/89/02/938398902.db2.gz NIMMXZSJMJTOJO-DZGCQCFKSA-N 0 1 367.877 3.765 20 5 FHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(N2CCCCC2)nc1 ZINC000583822220 938432298 /nfs/dbraw/zinc/43/22/98/938432298.db2.gz FZHWCJQXQMEKSW-GOSISDBHSA-N 0 1 352.438 3.757 20 5 FHBDMN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507366305 945183439 /nfs/dbraw/zinc/18/34/39/945183439.db2.gz ASEKCAWPSRXGHL-OAHLLOKOSA-N 0 1 362.769 3.598 20 5 FHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000480422161 938911911 /nfs/dbraw/zinc/91/19/11/938911911.db2.gz WOZUBPNACRTSRY-LAUBAEHRSA-N 0 1 369.465 3.627 20 5 FHBDMN CC[C@@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001267375063 938914283 /nfs/dbraw/zinc/91/42/83/938914283.db2.gz ZOBMADSBPKBHSK-CRAIPNDOSA-N 0 1 352.406 3.802 20 5 FHBDMN CN(CCOc1ccccc1[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000603849128 939006211 /nfs/dbraw/zinc/00/62/11/939006211.db2.gz HXAICEVIWQHCCO-UHFFFAOYSA-N 0 1 371.256 3.930 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472352520 939015959 /nfs/dbraw/zinc/01/59/59/939015959.db2.gz ZPMLZUMIXUQGGH-AEFFLSMTSA-N 0 1 367.449 3.795 20 5 FHBDMN Cc1cccc2nc(CNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])[nH]c21 ZINC000438954339 945260892 /nfs/dbraw/zinc/26/08/92/945260892.db2.gz JFWMXUSNWCLFOR-UHFFFAOYSA-N 0 1 358.785 3.671 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@]3(CO)CCc4ccccc43)o2)c1 ZINC000135900212 939912220 /nfs/dbraw/zinc/91/22/20/939912220.db2.gz JGWBFKFEFDGZRA-NRFANRHFSA-N 0 1 364.401 3.778 20 5 FHBDMN CC(C)Oc1cccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000179675026 939917521 /nfs/dbraw/zinc/91/75/21/939917521.db2.gz FFJNSEDQYZLWLE-HNNXBMFYSA-N 0 1 371.437 3.696 20 5 FHBDMN COc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000179830552 939967295 /nfs/dbraw/zinc/96/72/95/939967295.db2.gz VXLQNMXTVADHEX-UHFFFAOYSA-N 0 1 362.292 3.670 20 5 FHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375965976 940115772 /nfs/dbraw/zinc/11/57/72/940115772.db2.gz UWHWNJKCMQSMFN-INIZCTEOSA-N 0 1 370.453 3.601 20 5 FHBDMN CC[C@@H](NCc1ccc(S(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179955212 940168949 /nfs/dbraw/zinc/16/89/49/940168949.db2.gz UWFHWTFXYXQHEJ-GOSISDBHSA-N 0 1 362.451 3.629 20 5 FHBDMN COc1ccc(CNCc2cccc(Br)c2C)cc1[N+](=O)[O-] ZINC000580212530 940470165 /nfs/dbraw/zinc/47/01/65/940470165.db2.gz OTYAJZSXIZLCLX-UHFFFAOYSA-N 0 1 365.227 3.964 20 5 FHBDMN C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580273549 940471586 /nfs/dbraw/zinc/47/15/86/940471586.db2.gz CSRBORKKQZGQJF-YJBOKZPZSA-N 0 1 371.437 3.635 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](O)CC2)ccc1Oc1ccc(F)cc1 ZINC000581623601 940508461 /nfs/dbraw/zinc/50/84/61/940508461.db2.gz UIBGLNSMFYFEMS-INIZCTEOSA-N 0 1 360.385 3.873 20 5 FHBDMN CCN(CC)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102570 945340222 /nfs/dbraw/zinc/34/02/22/945340222.db2.gz GVCDMMUYYPISCY-KXBFYZLASA-N 0 1 355.438 3.855 20 5 FHBDMN COc1ccc(Cl)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000180162284 940722094 /nfs/dbraw/zinc/72/20/94/940722094.db2.gz DMRYEGMPXINJAR-UHFFFAOYSA-N 0 1 370.814 3.674 20 5 FHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000092972763 945343400 /nfs/dbraw/zinc/34/34/00/945343400.db2.gz KYTNAGNVKMOSCO-QGZVFWFLSA-N 0 1 366.776 3.666 20 5 FHBDMN COc1cc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000540911489 940756345 /nfs/dbraw/zinc/75/63/45/940756345.db2.gz BJIVMHFCBGXGRS-CYBMUJFWSA-N 0 1 369.421 3.803 20 5 FHBDMN C[C@]1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCCc2ccccc21 ZINC000540906673 940757579 /nfs/dbraw/zinc/75/75/79/940757579.db2.gz CSURHBQSHUAKAK-FQEVSTJZSA-N 0 1 354.406 3.803 20 5 FHBDMN C[C@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417925 941004513 /nfs/dbraw/zinc/00/45/13/941004513.db2.gz SZCOZUCOGWNZPW-VBKZILBWSA-N 0 1 353.422 3.513 20 5 FHBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000180420810 941009845 /nfs/dbraw/zinc/00/98/45/941009845.db2.gz PHCXZGTWEKFBDH-SCLBCKFNSA-N 0 1 357.410 3.671 20 5 FHBDMN Cc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180435086 941014179 /nfs/dbraw/zinc/01/41/79/941014179.db2.gz WEMMMNREEXUKJM-JKSUJKDBSA-N 0 1 355.438 3.740 20 5 FHBDMN Cc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180435121 941014348 /nfs/dbraw/zinc/01/43/48/941014348.db2.gz WEMMMNREEXUKJM-HZPDHXFCSA-N 0 1 355.438 3.740 20 5 FHBDMN CCN(C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000180446762 941017721 /nfs/dbraw/zinc/01/77/21/941017721.db2.gz OWIGCYAXZYAWJL-GJZGRUSLSA-N 0 1 373.428 3.994 20 5 FHBDMN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311464362 941301724 /nfs/dbraw/zinc/30/17/24/941301724.db2.gz MUGQGEPPJRMSNN-MRXNPFEDSA-N 0 1 373.840 3.595 20 5 FHBDMN Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3c3cccnc23)[nH]n1 ZINC000179055376 941334067 /nfs/dbraw/zinc/33/40/67/941334067.db2.gz YEJVUUYHQQVYGW-UHFFFAOYSA-N 0 1 368.400 3.764 20 5 FHBDMN CCc1ccc(CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C2CC2)cc1 ZINC000433680615 941831459 /nfs/dbraw/zinc/83/14/59/941831459.db2.gz QKVAXOGLUQWYFL-UHFFFAOYSA-N 0 1 356.426 3.809 20 5 FHBDMN Cc1cc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000433788363 941897894 /nfs/dbraw/zinc/89/78/94/941897894.db2.gz FESROQLKMSHUMU-BDJLRTHQSA-N 0 1 369.343 3.591 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000433869182 941956536 /nfs/dbraw/zinc/95/65/36/941956536.db2.gz QLZASXJOGJCAHR-JTQLQIEISA-N 0 1 373.438 3.884 20 5 FHBDMN Cc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000101738528 942012075 /nfs/dbraw/zinc/01/20/75/942012075.db2.gz KZMLCWUBNOGVHH-KRWDZBQOSA-N 0 1 372.425 3.763 20 5 FHBDMN Cn1ccnc1[C@@H](N[C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513662651 942071936 /nfs/dbraw/zinc/07/19/36/942071936.db2.gz YGOPVIXAQXMFMV-QUCCMNQESA-N 0 1 362.433 3.565 20 5 FHBDMN Cc1cccc(NC(=O)C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000053163655 942073457 /nfs/dbraw/zinc/07/34/57/942073457.db2.gz TVDGLXWWUYYFNJ-HNNXBMFYSA-N 0 1 368.437 3.710 20 5 FHBDMN CCc1c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000102868838 942123839 /nfs/dbraw/zinc/12/38/39/942123839.db2.gz ZVVNELLGSCTCKE-UHFFFAOYSA-N 0 1 351.366 3.503 20 5 FHBDMN CC(C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000501986294 942154062 /nfs/dbraw/zinc/15/40/62/942154062.db2.gz HYIXNPOKWTXASP-MRVPVSSYSA-N 0 1 354.208 3.772 20 5 FHBDMN C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181581606 942342285 /nfs/dbraw/zinc/34/22/85/942342285.db2.gz SHISUKSRBWOGEL-QWRGUYRKSA-N 0 1 363.801 3.632 20 5 FHBDMN CN(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000237167102 942362076 /nfs/dbraw/zinc/36/20/76/942362076.db2.gz VSGJONXFSMNVNI-UHFFFAOYSA-N 0 1 368.462 3.944 20 5 FHBDMN CSc1ccccc1[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000501549094 942532131 /nfs/dbraw/zinc/53/21/31/942532131.db2.gz HWBWDTNTHHNZID-CYBMUJFWSA-N 0 1 371.462 3.557 20 5 FHBDMN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000366976550 942620264 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5 FHBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000434184041 942900347 /nfs/dbraw/zinc/90/03/47/942900347.db2.gz QHSGCGBATYSNRC-MRXNPFEDSA-N 0 1 370.453 3.851 20 5 FHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H](C2CCCC2)C1 ZINC000421947781 942901291 /nfs/dbraw/zinc/90/12/91/942901291.db2.gz KDDVYSBELKDBAN-OAHLLOKOSA-N 0 1 354.410 3.637 20 5 FHBDMN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000504296007 943577336 /nfs/dbraw/zinc/57/73/36/943577336.db2.gz POZKAYAIHGMJJK-UHFFFAOYSA-N 0 1 374.246 3.633 20 5 FHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000504591729 943703211 /nfs/dbraw/zinc/70/32/11/943703211.db2.gz JOTWUUMGKWQYFQ-KBPBESRZSA-N 0 1 365.499 3.652 20 5 FHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424331262 943848214 /nfs/dbraw/zinc/84/82/14/943848214.db2.gz RXDXUDAVWNGGBL-FMEYXAORSA-N 0 1 357.385 3.539 20 5 FHBDMN CC1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN(Cc2ccccc2)C1 ZINC000366639403 943856204 /nfs/dbraw/zinc/85/62/04/943856204.db2.gz ILZPDKCINQUCJF-UHFFFAOYSA-N 0 1 373.840 3.500 20 5 FHBDMN Cn1ccnc1[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424348392 943856428 /nfs/dbraw/zinc/85/64/28/943856428.db2.gz KSNPGLVPJSRGDQ-SCTDSRPQSA-N 0 1 354.454 3.976 20 5 FHBDMN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505742690 943927450 /nfs/dbraw/zinc/92/74/50/943927450.db2.gz VQSAGKUTIWHSRD-SFHVURJKSA-N 0 1 356.378 3.676 20 5 FHBDMN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](c1cccnc1)C1CC1 ZINC000425463266 944029195 /nfs/dbraw/zinc/02/91/95/944029195.db2.gz VYXGMOWFRBFBRG-INIZCTEOSA-N 0 1 362.227 3.993 20 5 FHBDMN O=C(Nc1ncc(Cc2ccccc2F)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505788215 944177170 /nfs/dbraw/zinc/17/71/70/944177170.db2.gz UVDHZJZLRRSYMV-UHFFFAOYSA-N 0 1 373.365 3.739 20 5 FHBDMN Nc1ccc2c(c1)CCC[C@H]2NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414917758 944213019 /nfs/dbraw/zinc/21/30/19/944213019.db2.gz RFNHTGGSGNMSGY-MRXNPFEDSA-N 0 1 363.364 3.946 20 5 FHBDMN CC[C@H](C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000505799447 944226173 /nfs/dbraw/zinc/22/61/73/944226173.db2.gz QOPBIVHUTIZPAP-GTNSWQLSSA-N 0 1 368.393 3.694 20 5 FHBDMN CC1(C)C[C@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000425550471 944317600 /nfs/dbraw/zinc/31/76/00/944317600.db2.gz ZKJWDYUZXCUNNA-GOSISDBHSA-N 0 1 353.422 3.667 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000518436992 944365270 /nfs/dbraw/zinc/36/52/70/944365270.db2.gz SGTWWHAUXGOFGN-UHFFFAOYSA-N 0 1 351.322 3.587 20 5 FHBDMN COc1ccc(-c2ccc(CN[C@H](C)c3cnn(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000517538218 944368432 /nfs/dbraw/zinc/36/84/32/944368432.db2.gz UDDCTVMYRMCPNT-GFCCVEGCSA-N 0 1 370.409 3.756 20 5 FHBDMN COc1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000436541686 944419111 /nfs/dbraw/zinc/41/91/11/944419111.db2.gz XLZZGOQBLBWRMQ-UHFFFAOYSA-N 0 1 371.176 3.546 20 5 FHBDMN Cc1ccc([C@@H](C)NCc2cc3ccccc3n(C)c2=O)cc1[N+](=O)[O-] ZINC000426305363 944420281 /nfs/dbraw/zinc/42/02/81/944420281.db2.gz CHHZCOGIGTWCGG-CQSZACIVSA-N 0 1 351.406 3.606 20 5 FHBDMN CC(C)(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000327687094 944462681 /nfs/dbraw/zinc/46/26/81/944462681.db2.gz HLBDRRLKEHQEHG-INIZCTEOSA-N 0 1 366.414 3.800 20 5 FHBDMN CC(C)c1nc(CNCCOc2ccc([N+](=O)[O-])cc2)c2ccccn21 ZINC000518544933 944480576 /nfs/dbraw/zinc/48/05/76/944480576.db2.gz PRSBYZBZCVKRGP-UHFFFAOYSA-N 0 1 354.410 3.535 20 5 FHBDMN CSc1c(F)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000543165426 944557435 /nfs/dbraw/zinc/55/74/35/944557435.db2.gz BPRTXYKRDBLZNP-UHFFFAOYSA-N 0 1 374.390 3.704 20 5 FHBDMN Cc1ccc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000473602586 944580412 /nfs/dbraw/zinc/58/04/12/944580412.db2.gz YHZJBKNNQATSCN-LJQANCHMSA-N 0 1 363.373 3.523 20 5 FHBDMN COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854078 944638444 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FHBDMN Cc1ccccc1[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000507176683 945007320 /nfs/dbraw/zinc/00/73/20/945007320.db2.gz DUSHDWASSINIBW-MRXNPFEDSA-N 0 1 364.405 3.943 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438780812 945024610 /nfs/dbraw/zinc/02/46/10/945024610.db2.gz SNXAKZOGLPLEEI-UHFFFAOYSA-N 0 1 374.340 3.809 20 5 FHBDMN CN(c1ccccc1)c1ccc(CN2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000127046185 945395283 /nfs/dbraw/zinc/39/52/83/945395283.db2.gz PTSCOWCCYDPRIH-UHFFFAOYSA-N 0 1 355.438 3.567 20 5 FHBDMN CC[C@H](C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000507680290 945444785 /nfs/dbraw/zinc/44/47/85/945444785.db2.gz YULCVSQURXKUPR-INIZCTEOSA-N 0 1 355.438 3.858 20 5 FHBDMN COc1cc(CN2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507712636 945485776 /nfs/dbraw/zinc/48/57/76/945485776.db2.gz DKKHMLMSLCVYIZ-OAHLLOKOSA-N 0 1 372.421 3.513 20 5 FHBDMN CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000543505434 945506698 /nfs/dbraw/zinc/50/66/98/945506698.db2.gz IQKPKYNALYANBV-UHFFFAOYSA-N 0 1 353.831 3.773 20 5 FHBDMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cc(Br)cs1 ZINC000107700091 945761294 /nfs/dbraw/zinc/76/12/94/945761294.db2.gz LZURYCXSYIJSOW-UHFFFAOYSA-N 0 1 371.256 3.930 20 5 FHBDMN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000108931076 946085853 /nfs/dbraw/zinc/08/58/53/946085853.db2.gz RWNXBGABIFRIRA-RYUDHWBXSA-N 0 1 361.364 3.525 20 5 FHBDMN Cc1sc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000109021545 946126344 /nfs/dbraw/zinc/12/63/44/946126344.db2.gz HPHWQYDDRFGRBW-AWEZNQCLSA-N 0 1 372.406 3.945 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000444257018 946139957 /nfs/dbraw/zinc/13/99/57/946139957.db2.gz OCJCSSNHWWRGJP-CXAGYDPISA-N 0 1 356.426 3.802 20 5 FHBDMN C[C@@]1(c2ccccc2)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000438484261 946300200 /nfs/dbraw/zinc/30/02/00/946300200.db2.gz QMQBKBAMSMCTIG-HXUWFJFHSA-N 0 1 364.405 3.808 20 5 FHBDMN Cc1c(CN2CCC(C(=O)N3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000047957347 946470199 /nfs/dbraw/zinc/47/01/99/946470199.db2.gz XDEYSDFKFHPLSM-UHFFFAOYSA-N 0 1 359.470 3.518 20 5 FHBDMN CCOc1cc(N2CCN(Cc3sccc3C)CC2)ccc1[N+](=O)[O-] ZINC000475499140 946499211 /nfs/dbraw/zinc/49/92/11/946499211.db2.gz YFVPXHZWBVTOPL-UHFFFAOYSA-N 0 1 361.467 3.686 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000444329778 946621185 /nfs/dbraw/zinc/62/11/85/946621185.db2.gz KUDNYZAKGKVOMM-MRXNPFEDSA-N 0 1 370.453 3.898 20 5 FHBDMN COc1cc(CNCc2c(C)c3ccccc3n2C)c([N+](=O)[O-])cc1OC ZINC000475192804 946677415 /nfs/dbraw/zinc/67/74/15/946677415.db2.gz BZQIKXKAGBUXQP-UHFFFAOYSA-N 0 1 369.421 3.702 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)cc1 ZINC000112193208 946774075 /nfs/dbraw/zinc/77/40/75/946774075.db2.gz WPCRKDZEPZBWPB-UHFFFAOYSA-N 0 1 371.374 3.583 20 5 FHBDMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093594055 946795594 /nfs/dbraw/zinc/79/55/94/946795594.db2.gz GCPXAQCIMIGAJT-CQSZACIVSA-N 0 1 358.369 3.534 20 5 FHBDMN C[C@@H]1OCC[C@]12CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000475289425 946827852 /nfs/dbraw/zinc/82/78/52/946827852.db2.gz AHKCWLUQTIXERJ-LIRRHRJNSA-N 0 1 374.462 3.703 20 5 FHBDMN C[C@H]1OCC[C@@]12CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000475289420 946828113 /nfs/dbraw/zinc/82/81/13/946828113.db2.gz AHKCWLUQTIXERJ-AUUYWEPGSA-N 0 1 374.462 3.703 20 5 FHBDMN CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475319801 946852920 /nfs/dbraw/zinc/85/29/20/946852920.db2.gz IJSRVXLJRYQMEM-LJQANCHMSA-N 0 1 367.449 3.504 20 5 FHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCc1cccs1 ZINC000072800881 947042884 /nfs/dbraw/zinc/04/28/84/947042884.db2.gz ZPKRSOFSIKGZJZ-LLVKDONJSA-N 0 1 367.858 3.811 20 5 FHBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-n2cccn2)c1 ZINC000444676462 947101261 /nfs/dbraw/zinc/10/12/61/947101261.db2.gz QIVGQYSMJHGZJY-CYBMUJFWSA-N 0 1 362.393 3.508 20 5 FHBDMN Cc1ccc(F)c(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000444738698 947153432 /nfs/dbraw/zinc/15/34/32/947153432.db2.gz CSMJAPXKEOHLMS-UHFFFAOYSA-N 0 1 359.401 3.811 20 5 FHBDMN CC(C)c1ccc(CN(C)C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000511959229 947170788 /nfs/dbraw/zinc/17/07/88/947170788.db2.gz XZMODKCMHNAZJW-LJQANCHMSA-N 0 1 372.465 3.728 20 5 FHBDMN CC(C)[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181978137 948153807 /nfs/dbraw/zinc/15/38/07/948153807.db2.gz IVZNQEPLMZNAJO-LJQANCHMSA-N 0 1 360.385 3.992 20 5 FHBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000574796813 948518357 /nfs/dbraw/zinc/51/83/57/948518357.db2.gz LVWLHNIMHIGAJJ-KISNFGTJSA-N 0 1 371.462 3.574 20 5 FHBDMN COc1cc2c(cc1F)nccc2N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571577714 948641423 /nfs/dbraw/zinc/64/14/23/948641423.db2.gz ITWCJLNIGUIERK-UHFFFAOYSA-N 0 1 369.352 3.690 20 5 FHBDMN COc1cc(C)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000071977846 221392801 /nfs/dbraw/zinc/39/28/01/221392801.db2.gz ZCUVCFFPSGXSNV-UHFFFAOYSA-N 0 1 370.814 3.674 20 5 FHBDMN CC[C@H]1[C@H](C)CCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481375841 567862922 /nfs/dbraw/zinc/86/29/22/567862922.db2.gz QUMGOQBMUGOXPB-WBMJQRKESA-N 0 1 374.466 3.777 20 5 FHBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000436587577 567946646 /nfs/dbraw/zinc/94/66/46/567946646.db2.gz XIORGGOQTBNUFV-UHFFFAOYSA-N 0 1 367.188 3.806 20 5 FHBDMN CCN(CC)CC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000568555077 568050974 /nfs/dbraw/zinc/05/09/74/568050974.db2.gz CPIUGLLMWUWQMM-UHFFFAOYSA-N 0 1 370.453 3.796 20 5 FHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000568732915 568144945 /nfs/dbraw/zinc/14/49/45/568144945.db2.gz MOHZYYIZKGGOHE-CQSZACIVSA-N 0 1 374.462 3.597 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000412667111 568258071 /nfs/dbraw/zinc/25/80/71/568258071.db2.gz HGPKYPFETMWEBA-HNNXBMFYSA-N 0 1 368.437 3.851 20 5 FHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CCOCC2)cc1OC ZINC000541986185 568313727 /nfs/dbraw/zinc/31/37/27/568313727.db2.gz JDKJUNOSNSAQHM-AWEZNQCLSA-N 0 1 366.458 3.639 20 5 FHBDMN Cc1sc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000031765283 568339196 /nfs/dbraw/zinc/33/91/96/568339196.db2.gz VFWHHIKZBRAONK-UHFFFAOYSA-N 0 1 373.478 3.621 20 5 FHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1Cl ZINC000032315993 568386445 /nfs/dbraw/zinc/38/64/45/568386445.db2.gz FGSWYXKRMBRCKN-AWEZNQCLSA-N 0 1 365.817 3.654 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000569877030 568433004 /nfs/dbraw/zinc/43/30/04/568433004.db2.gz IZRFKUCKYUENAB-KXBFYZLASA-N 0 1 355.438 3.773 20 5 FHBDMN O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000833165643 601644832 /nfs/dbraw/zinc/64/48/32/601644832.db2.gz KYVQOOPGRMLTHL-CQSZACIVSA-N 0 1 355.177 3.817 20 5 FHBDMN Cc1c(C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000832853751 601902024 /nfs/dbraw/zinc/90/20/24/601902024.db2.gz UKKKVNPZCLXDGA-INIZCTEOSA-N 0 1 368.311 3.578 20 5 FHBDMN CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000575127989 605176970 /nfs/dbraw/zinc/17/69/70/605176970.db2.gz WXADXYFFBBMSOO-UHFFFAOYSA-N 0 1 357.410 3.745 20 5 FHBDMN CCC[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000821022386 607057803 /nfs/dbraw/zinc/05/78/03/607057803.db2.gz ROZWSWNYIHLTPI-KRWDZBQOSA-N 0 1 370.388 3.545 20 5 FHBDMN O=[N+]([O-])c1ccc(Oc2snc(Cl)c2-c2nn[nH]n2)c2ccccc21 ZINC000826499519 608189726 /nfs/dbraw/zinc/18/97/26/608189726.db2.gz LZJJCQZMYPNVSU-UHFFFAOYSA-N 0 1 374.769 3.830 20 5 FHBDMN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000126827365 927084409 /nfs/dbraw/zinc/08/44/09/927084409.db2.gz PHHIGNVHBOJBKL-CQSZACIVSA-N 0 1 360.414 3.624 20 5 FHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000430198104 927906370 /nfs/dbraw/zinc/90/63/70/927906370.db2.gz XTWPDNPEOZONSR-INIZCTEOSA-N 0 1 358.394 3.616 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000430203952 927998504 /nfs/dbraw/zinc/99/85/04/927998504.db2.gz PXZOFUKHPXGDIQ-KXBFYZLASA-N 0 1 356.422 3.861 20 5 FHBDMN CCOc1ccc([C@@H](C)N[C@@H](CCO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000154291161 928692548 /nfs/dbraw/zinc/69/25/48/928692548.db2.gz AREHDASKTDSDLP-KDOFPFPSSA-N 0 1 374.437 3.776 20 5 FHBDMN CN(C(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)c1ccccc1 ZINC000430303162 929626572 /nfs/dbraw/zinc/62/65/72/929626572.db2.gz SOHJFLJUIXWCRI-OAHLLOKOSA-N 0 1 373.840 3.733 20 5 FHBDMN Cc1ccc(CN2CC[C@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000580023612 929906347 /nfs/dbraw/zinc/90/63/47/929906347.db2.gz ZMQUSZSDDJVPRU-JXFKEZNVSA-N 0 1 367.449 3.663 20 5 FHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000610368005 930166251 /nfs/dbraw/zinc/16/62/51/930166251.db2.gz AZAVDKMNHQCMAG-HNNXBMFYSA-N 0 1 359.470 3.817 20 5 FHBDMN CC[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000560993313 930269703 /nfs/dbraw/zinc/26/97/03/930269703.db2.gz PEASODOQZDTZJP-IBGZPJMESA-N 0 1 369.465 3.506 20 5 FHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@](C)(c2ccccc2)C1 ZINC001167367139 930354167 /nfs/dbraw/zinc/35/41/67/930354167.db2.gz BSGUWVCTCXTQIT-IERDGZPVSA-N 0 1 367.449 3.976 20 5 FHBDMN Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000610445941 930788757 /nfs/dbraw/zinc/78/87/57/930788757.db2.gz KXNHMYBRIHIALS-QGZVFWFLSA-N 0 1 367.449 3.640 20 5 FHBDMN CCc1ccc([C@H](NCC2(CO)CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471592677 930841665 /nfs/dbraw/zinc/84/16/65/930841665.db2.gz HETPYMFXVAZKPD-LJQANCHMSA-N 0 1 358.438 3.982 20 5 FHBDMN CC(C)[C@H](O)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000537386534 930949817 /nfs/dbraw/zinc/94/98/17/930949817.db2.gz WPYNEQUFLGZHJM-INIZCTEOSA-N 0 1 361.467 3.605 20 5 FHBDMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580726594 931063879 /nfs/dbraw/zinc/06/38/79/931063879.db2.gz XCWMZCWWCJYDRQ-VQIMIIECSA-N 0 1 354.406 3.909 20 5 FHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@]2(CCCOC2)C1 ZINC000477045897 931739933 /nfs/dbraw/zinc/73/99/33/931739933.db2.gz FZCARQMPEVTKBD-AUUYWEPGSA-N 0 1 372.425 3.598 20 5 FHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(F)c1 ZINC000135219370 932054905 /nfs/dbraw/zinc/05/49/05/932054905.db2.gz GBQUTZBJDFCFOD-UHFFFAOYSA-N 0 1 357.385 3.727 20 5 FHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000581456161 932089644 /nfs/dbraw/zinc/08/96/44/932089644.db2.gz SHWNALZQUFYSCG-CECLQJIQSA-N 0 1 371.437 3.894 20 5 FHBDMN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc([N+](=O)[O-])c(F)c3)ccc2NC1=O ZINC000276312069 932173482 /nfs/dbraw/zinc/17/34/82/932173482.db2.gz MNZWSPMKDNMCKO-DIFFPNOSSA-N 0 1 373.384 3.694 20 5 FHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000276679254 932923345 /nfs/dbraw/zinc/92/33/45/932923345.db2.gz OPOKTPJUWYZONI-CYBMUJFWSA-N 0 1 367.858 3.651 20 5 FHBDMN CO[C@@]1(C)C[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001167490566 933076325 /nfs/dbraw/zinc/07/63/25/933076325.db2.gz DMLOYNAVVPSAIF-HOCLYGCPSA-N 0 1 371.275 3.993 20 5 FHBDMN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178316638 933119271 /nfs/dbraw/zinc/11/92/71/933119271.db2.gz ATKISFLXMNFIRT-ZDUSSCGKSA-N 0 1 360.410 3.780 20 5 FHBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3cccc(-c4ccncc4)c3)CC2)c1 ZINC000510519935 933184427 /nfs/dbraw/zinc/18/44/27/933184427.db2.gz JLTGGRQOGLQMNQ-UHFFFAOYSA-N 0 1 374.444 3.979 20 5 FHBDMN CCc1nc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n[nH]1 ZINC000535685114 934278520 /nfs/dbraw/zinc/27/85/20/934278520.db2.gz CYLZEYPQEZXWCX-LLVKDONJSA-N 0 1 357.439 3.855 20 5 FHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458092084 934291418 /nfs/dbraw/zinc/29/14/18/934291418.db2.gz PPIDLQPVLHYCBQ-MAUKXSAKSA-N 0 1 364.405 3.879 20 5 FHBDMN CCOc1ccc([C@@H](C)NCc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000535778316 934368058 /nfs/dbraw/zinc/36/80/58/934368058.db2.gz ZHBLMDUSGSULOP-LLVKDONJSA-N 0 1 372.347 3.603 20 5 FHBDMN Cc1noc(C[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277108368 934493061 /nfs/dbraw/zinc/49/30/61/934493061.db2.gz MHXOBKNTOYXPQS-FZKQIMNGSA-N 0 1 352.394 3.921 20 5 FHBDMN COc1cc(N[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000610865327 934540761 /nfs/dbraw/zinc/54/07/61/934540761.db2.gz NFGKXUQLBKHZDM-MRXNPFEDSA-N 0 1 371.437 3.689 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000610922161 934627775 /nfs/dbraw/zinc/62/77/75/934627775.db2.gz BGHHAOZFUDCDMX-HNNXBMFYSA-N 0 1 374.416 3.818 20 5 FHBDMN CCOC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000158082002 935033568 /nfs/dbraw/zinc/03/35/68/935033568.db2.gz LIWCQDNEPWBFJG-UHFFFAOYSA-N 0 1 358.394 3.630 20 5 FHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157909871 935220749 /nfs/dbraw/zinc/22/07/49/935220749.db2.gz BQBIERKZQCFXMT-JSGCOSHPSA-N 0 1 373.457 3.533 20 5 FHBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000023388888 935585259 /nfs/dbraw/zinc/58/52/59/935585259.db2.gz PHNIEWDFRICYDS-FQEVSTJZSA-N 0 1 372.384 3.991 20 5 FHBDMN CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000478219264 935593482 /nfs/dbraw/zinc/59/34/82/935593482.db2.gz XDERAOOLIRFLKS-CYBMUJFWSA-N 0 1 362.769 3.772 20 5 FHBDMN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478510597 935639071 /nfs/dbraw/zinc/63/90/71/935639071.db2.gz YRNCGPGDFHVHCB-ZDUSSCGKSA-N 0 1 357.410 3.721 20 5 FHBDMN Cn1ccnc1[C@@H](NC[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582664602 935920866 /nfs/dbraw/zinc/92/08/66/935920866.db2.gz JRKCSHJARGGAAH-WNQHEHQFSA-N 0 1 354.454 3.834 20 5 FHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1csc([N+](=O)[O-])c1 ZINC000178638526 935960679 /nfs/dbraw/zinc/96/06/79/935960679.db2.gz COSKURTWTZNYEN-UHFFFAOYSA-N 0 1 356.285 3.804 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000178681450 936173368 /nfs/dbraw/zinc/17/33/68/936173368.db2.gz GEQBBSYOFFWYGU-HUUCEWRRSA-N 0 1 353.422 3.532 20 5 FHBDMN CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684850 936200793 /nfs/dbraw/zinc/20/07/93/936200793.db2.gz WKQANJOXXCHFPD-ZIAGYGMSSA-N 0 1 369.421 3.784 20 5 FHBDMN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685338 936201314 /nfs/dbraw/zinc/20/13/14/936201314.db2.gz FGRIQOLGHVBVGC-HOTGVXAUSA-N 0 1 355.438 3.567 20 5 FHBDMN COCCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1scnc1C ZINC000426547284 945152985 /nfs/dbraw/zinc/15/29/85/945152985.db2.gz ZPCFXJRZRIXSFU-NTEUORMPSA-N 0 1 361.467 3.912 20 5 FHBDMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C ZINC000536114677 938382999 /nfs/dbraw/zinc/38/29/99/938382999.db2.gz ROSSZOXWZGBFSQ-UHFFFAOYSA-N 0 1 362.407 3.523 20 5 FHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000052725902 938524677 /nfs/dbraw/zinc/52/46/77/938524677.db2.gz IQUUHHNQEUUYJA-AWEZNQCLSA-N 0 1 371.412 3.689 20 5 FHBDMN Cc1cc(F)cc(C(=O)Nc2nnc(-c3ccsc3)s2)c1[N+](=O)[O-] ZINC000176804240 938538458 /nfs/dbraw/zinc/53/84/58/938538458.db2.gz VGPFKFFDNGROJZ-UHFFFAOYSA-N 0 1 364.383 3.875 20 5 FHBDMN Cc1ccccc1C(=O)NC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052746803 938551630 /nfs/dbraw/zinc/55/16/30/938551630.db2.gz HSENDCIZYUHEET-MRXNPFEDSA-N 0 1 367.449 3.859 20 5 FHBDMN Cc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])c(-c2cnn(C)c2)c1 ZINC000584041228 938564936 /nfs/dbraw/zinc/56/49/36/938564936.db2.gz HAQSYRGUYJHRQH-UHFFFAOYSA-N 0 1 350.422 3.936 20 5 FHBDMN COc1cc(CN2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000511844854 945261743 /nfs/dbraw/zinc/26/17/43/945261743.db2.gz TVUGWBPCKSFLNP-YPMHNXCESA-N 0 1 356.369 3.969 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@]3(CO)CCc4ccccc43)o2)cc1 ZINC000135900317 939911540 /nfs/dbraw/zinc/91/15/40/939911540.db2.gz HHBZTUKNBITLHJ-NRFANRHFSA-N 0 1 364.401 3.778 20 5 FHBDMN Cc1cc(N2CC[C@]3(C2)c2ccccc2NC3=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000614524745 939916264 /nfs/dbraw/zinc/91/62/64/939916264.db2.gz RYFIEHHGSGWECM-NRFANRHFSA-N 0 1 374.400 3.552 20 5 FHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000375825210 939945139 /nfs/dbraw/zinc/94/51/39/939945139.db2.gz PRUBFVZAQTWWKR-UHFFFAOYSA-N 0 1 370.434 3.861 20 5 FHBDMN C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000480621572 939948262 /nfs/dbraw/zinc/94/82/62/939948262.db2.gz JNBFXDHAGPQREE-VIFPVBQESA-N 0 1 360.320 3.583 20 5 FHBDMN C[C@H](c1c(F)cccc1F)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000480621571 939964684 /nfs/dbraw/zinc/96/46/84/939964684.db2.gz JNBFXDHAGPQREE-SECBINFHSA-N 0 1 360.320 3.583 20 5 FHBDMN CCCN(C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411370490 940036507 /nfs/dbraw/zinc/03/65/07/940036507.db2.gz UIZZMGTUBWMRRS-JKSUJKDBSA-N 0 1 363.458 3.511 20 5 FHBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCCC[C@@H]2C1 ZINC000177544546 940269279 /nfs/dbraw/zinc/26/92/79/940269279.db2.gz NRXJIUYAEGUMFD-JHJVBQTASA-N 0 1 351.834 3.697 20 5 FHBDMN CCOc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000124830444 945322143 /nfs/dbraw/zinc/32/21/43/945322143.db2.gz QBUNYBPFQXFLCE-CYBMUJFWSA-N 0 1 358.394 3.711 20 5 FHBDMN Cc1cccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173509636 940632989 /nfs/dbraw/zinc/63/29/89/940632989.db2.gz ZBVFAMBJOAYIKE-KRWDZBQOSA-N 0 1 367.449 3.640 20 5 FHBDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389247 940657030 /nfs/dbraw/zinc/65/70/30/940657030.db2.gz FYKBXYIGNBBUBE-IFXJQAMLSA-N 0 1 367.405 3.504 20 5 FHBDMN CC[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414164677 940698686 /nfs/dbraw/zinc/69/86/86/940698686.db2.gz BCHITBUCVYFCJC-JLJPHGGASA-N 0 1 362.451 3.970 20 5 FHBDMN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452033977 940872770 /nfs/dbraw/zinc/87/27/70/940872770.db2.gz IPXLCERAEMCINV-APHBMKBZSA-N 0 1 360.414 3.643 20 5 FHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3cccc([N+](=O)[O-])c3)[nH]2)c1 ZINC000180379943 940999078 /nfs/dbraw/zinc/99/90/78/940999078.db2.gz NFKQBLCIMBIEGA-UHFFFAOYSA-N 0 1 367.361 3.659 20 5 FHBDMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400512 940999406 /nfs/dbraw/zinc/99/94/06/940999406.db2.gz RCFBCNCZDAGHAT-HZPDHXFCSA-N 0 1 355.438 3.683 20 5 FHBDMN C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180399731 941004662 /nfs/dbraw/zinc/00/46/62/941004662.db2.gz HLLLTTGMNNFXIE-JTQLQIEISA-N 0 1 351.765 3.677 20 5 FHBDMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180403727 941005382 /nfs/dbraw/zinc/00/53/82/941005382.db2.gz QUPGMCYNJOVHPQ-KGLIPLIRSA-N 0 1 359.401 3.604 20 5 FHBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000180420790 941009639 /nfs/dbraw/zinc/00/96/39/941009639.db2.gz PHCXZGTWEKFBDH-UGSOOPFHSA-N 0 1 357.410 3.671 20 5 FHBDMN CCC[C@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444154 941017384 /nfs/dbraw/zinc/01/73/84/941017384.db2.gz SMLVWNPSSCMJFJ-KXBFYZLASA-N 0 1 355.438 3.903 20 5 FHBDMN CCC[C@H](NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444191 941017421 /nfs/dbraw/zinc/01/74/21/941017421.db2.gz SMLVWNPSSCMJFJ-BEFAXECRSA-N 0 1 355.438 3.903 20 5 FHBDMN CCc1ccc([C@H](N[C@@H]2CCC[C@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414347657 941021482 /nfs/dbraw/zinc/02/14/82/941021482.db2.gz WBAOBVGXZXYESB-YYFZDKIDSA-N 0 1 358.438 3.980 20 5 FHBDMN Cc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-] ZINC000181122788 941109924 /nfs/dbraw/zinc/10/99/24/941109924.db2.gz NKNVQYNEPYPEDZ-UHFFFAOYSA-N 0 1 368.359 3.956 20 5 FHBDMN CCCOc1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c1 ZINC000616094592 941124213 /nfs/dbraw/zinc/12/42/13/941124213.db2.gz NGLDMZIPPXCTNN-UHFFFAOYSA-N 0 1 372.421 3.753 20 5 FHBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000179001159 941329859 /nfs/dbraw/zinc/32/98/59/941329859.db2.gz UUCCQKKLJIJOGF-HNNXBMFYSA-N 0 1 368.355 3.649 20 5 FHBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414643057 941427575 /nfs/dbraw/zinc/42/75/75/941427575.db2.gz WQSYQWBJRUEJFP-UHFFFAOYSA-N 0 1 362.357 3.823 20 5 FHBDMN COCCCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000473523396 941762112 /nfs/dbraw/zinc/76/21/12/941762112.db2.gz VPWVLPFQFAWOJA-SFHVURJKSA-N 0 1 358.394 3.588 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c1[N+](=O)[O-] ZINC000433702736 941840823 /nfs/dbraw/zinc/84/08/23/941840823.db2.gz MOGMSYKDODKXGK-UHFFFAOYSA-N 0 1 364.352 3.524 20 5 FHBDMN COc1ccccc1O[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000513361368 941869564 /nfs/dbraw/zinc/86/95/64/941869564.db2.gz JNSFQIXHMFTEKZ-SFHVURJKSA-N 0 1 372.421 3.526 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000433774004 941892177 /nfs/dbraw/zinc/89/21/77/941892177.db2.gz JQATXORCOVHWCU-WBMJQRKESA-N 0 1 374.466 3.760 20 5 FHBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000182418345 941922187 /nfs/dbraw/zinc/92/21/87/941922187.db2.gz ZUKKNPGEKPSTIP-JTQLQIEISA-N 0 1 367.327 3.563 20 5 FHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000609459646 941924889 /nfs/dbraw/zinc/92/48/89/941924889.db2.gz YMFXDQGPMSLUNI-UHFFFAOYSA-N 0 1 371.224 3.849 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1[N+](=O)[O-] ZINC000433830077 941926146 /nfs/dbraw/zinc/92/61/46/941926146.db2.gz HCJATALRSNIZOF-SMDDNHRTSA-N 0 1 372.425 3.963 20 5 FHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2ccccc2o1 ZINC000182633557 941956529 /nfs/dbraw/zinc/95/65/29/941956529.db2.gz WTZNDNDDZDKCCX-CYBMUJFWSA-N 0 1 365.389 3.581 20 5 FHBDMN O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1Br ZINC000828906061 942050365 /nfs/dbraw/zinc/05/03/65/942050365.db2.gz UNQOZQLAEWOTRG-ZFWWWQNUSA-N 0 1 369.259 3.748 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2[C@H]2CCCOC2)ccc1Br ZINC000828906061 942050371 /nfs/dbraw/zinc/05/03/71/942050371.db2.gz UNQOZQLAEWOTRG-ZFWWWQNUSA-N 0 1 369.259 3.748 20 5 FHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000728724672 942088740 /nfs/dbraw/zinc/08/87/40/942088740.db2.gz DIIRDEGJCXWPHA-UHFFFAOYSA-N 0 1 367.361 3.529 20 5 FHBDMN COC(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000584557175 942299713 /nfs/dbraw/zinc/29/97/13/942299713.db2.gz MQQYDCMKLKXIDJ-UHFFFAOYSA-N 0 1 366.373 3.931 20 5 FHBDMN Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)n1 ZINC000413116227 942311323 /nfs/dbraw/zinc/31/13/23/942311323.db2.gz YJSDFLLJXUOFSL-HNNXBMFYSA-N 0 1 363.421 3.785 20 5 FHBDMN CCSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000505293246 942450224 /nfs/dbraw/zinc/45/02/24/942450224.db2.gz GERDJKGQLXXTLL-UHFFFAOYSA-N 0 1 352.437 3.816 20 5 FHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502490336 942470154 /nfs/dbraw/zinc/47/01/54/942470154.db2.gz CYFSLVCAFQRVPV-UHFFFAOYSA-N 0 1 371.462 3.704 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000434242290 942542581 /nfs/dbraw/zinc/54/25/81/942542581.db2.gz LHCIKUMHKBCWQC-RISCZKNCSA-N 0 1 360.389 3.804 20 5 FHBDMN CC[C@H]1C[C@]1(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502566828 942547703 /nfs/dbraw/zinc/54/77/03/942547703.db2.gz SJVXDCKNQDAHAG-HRAATJIYSA-N 0 1 367.449 3.781 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000434257128 942552230 /nfs/dbraw/zinc/55/22/30/942552230.db2.gz SINMGFURFXBRCV-UHFFFAOYSA-N 0 1 372.400 3.900 20 5 FHBDMN Cc1cc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)nn1[C@@H](C)C1CC1 ZINC000413248315 942561736 /nfs/dbraw/zinc/56/17/36/942561736.db2.gz RNKGDZPNRYRXSF-VIFPVBQESA-N 0 1 355.320 3.650 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000183308252 942637994 /nfs/dbraw/zinc/63/79/94/942637994.db2.gz AAQMMKRRRPWERT-UHFFFAOYSA-N 0 1 359.470 3.564 20 5 FHBDMN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081511 942733661 /nfs/dbraw/zinc/73/36/61/942733661.db2.gz CCXVPQFSYSITSA-HNAYVOBHSA-N 0 1 350.422 3.811 20 5 FHBDMN Cc1cccc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000425091676 942765771 /nfs/dbraw/zinc/76/57/71/942765771.db2.gz ZFOYEFBQAFYRRZ-UHFFFAOYSA-N 0 1 374.466 3.769 20 5 FHBDMN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000434621144 942793887 /nfs/dbraw/zinc/79/38/87/942793887.db2.gz POBVPDGIWNIWFC-GOSISDBHSA-N 0 1 359.401 3.662 20 5 FHBDMN C[C@@H](N[C@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466757 942796776 /nfs/dbraw/zinc/79/67/76/942796776.db2.gz MMILVWBCOUHMFW-KUHUBIRLSA-N 0 1 368.437 3.838 20 5 FHBDMN COc1ccc(OC)c([C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000514230048 942839818 /nfs/dbraw/zinc/83/98/18/942839818.db2.gz HGLYYDNNFUVNPN-IBGZPJMESA-N 0 1 372.421 3.828 20 5 FHBDMN CC[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000416597398 943002222 /nfs/dbraw/zinc/00/22/22/943002222.db2.gz NTTGOABPJOEGGO-MRVPVSSYSA-N 0 1 374.768 3.505 20 5 FHBDMN O=C(NC1(c2ccc(C(F)(F)F)cc2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000509543002 943094016 /nfs/dbraw/zinc/09/40/16/943094016.db2.gz UMFXBTUWPIBTQE-UHFFFAOYSA-N 0 1 368.315 3.536 20 5 FHBDMN COc1cccc([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000505637250 943269366 /nfs/dbraw/zinc/26/93/66/943269366.db2.gz RGBUQKCAVHQTLR-MRXNPFEDSA-N 0 1 355.438 3.795 20 5 FHBDMN O=C(c1cc2[nH]cnc2cc1F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000425315905 943291670 /nfs/dbraw/zinc/29/16/70/943291670.db2.gz OUFSLWNXELZDJF-ZDUSSCGKSA-N 0 1 368.368 3.630 20 5 FHBDMN C[C@H](O)CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549464172 943336716 /nfs/dbraw/zinc/33/67/16/943336716.db2.gz LGRPHRFIWDRTMZ-ZDUSSCGKSA-N 0 1 368.355 3.997 20 5 FHBDMN CNC(=O)c1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417349176 943528400 /nfs/dbraw/zinc/52/84/00/943528400.db2.gz ZSYFNFUDGNPUQP-LJQANCHMSA-N 0 1 353.422 3.512 20 5 FHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000515630087 944062805 /nfs/dbraw/zinc/06/28/05/944062805.db2.gz WIDBSQSAEYUGBK-UHFFFAOYSA-N 0 1 361.404 3.519 20 5 FHBDMN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000436176710 944088957 /nfs/dbraw/zinc/08/89/57/944088957.db2.gz JABSXYYTOFKBJO-UHFFFAOYSA-N 0 1 359.407 3.802 20 5 FHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1OCC(C)C ZINC000515697342 944137954 /nfs/dbraw/zinc/13/79/54/944137954.db2.gz MUTUPYJDEAFKLW-UHFFFAOYSA-N 0 1 364.423 3.739 20 5 FHBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000436268371 944142780 /nfs/dbraw/zinc/14/27/80/944142780.db2.gz GTLUZCVUSWEIAD-UHFFFAOYSA-N 0 1 367.312 3.945 20 5 FHBDMN COc1cccc(C2(F)CCN(CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500139313 944162294 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ZINC000579793282 931047605 /nfs/dbraw/zinc/04/76/05/931047605.db2.gz MFHCUJOHAPPCEW-INIZCTEOSA-N 0 1 361.829 3.589 20 5 FHBDMN Cc1ccccc1NC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236500 932085848 /nfs/dbraw/zinc/08/58/48/932085848.db2.gz JMAWZFHEQBUYJJ-UHFFFAOYSA-N 0 1 353.422 3.896 20 5 FHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2c(F)cc(F)c(F)c2F)n1 ZINC000430739286 933192253 /nfs/dbraw/zinc/19/22/53/933192253.db2.gz HLWMKMZCZLIGDJ-CHWSQXEVSA-N 0 1 372.322 3.621 20 5 FHBDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000610620874 933539683 /nfs/dbraw/zinc/53/96/83/933539683.db2.gz OXIARJIZHNPYOV-CQSZACIVSA-N 0 1 359.426 3.829 20 5 FHBDMN CCOc1cc(CN[C@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000276896003 933893781 /nfs/dbraw/zinc/89/37/81/933893781.db2.gz KZWRDBIFORJBIQ-CYBMUJFWSA-N 0 1 357.410 3.803 20 5 FHBDMN Cc1sc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000065140460 934219447 /nfs/dbraw/zinc/21/94/47/934219447.db2.gz 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COc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539234516 935099596 /nfs/dbraw/zinc/09/95/96/935099596.db2.gz SXXMFSWOMNKKSF-NSHDSACASA-N 0 1 363.801 3.546 20 5 FHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157789713 935197765 /nfs/dbraw/zinc/19/77/65/935197765.db2.gz BSOLMTWYBBLMSD-JSGCOSHPSA-N 0 1 373.457 3.533 20 5 FHBDMN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507271591 945097529 /nfs/dbraw/zinc/09/75/29/945097529.db2.gz WNGFUDOMUMWLMW-AWEZNQCLSA-N 0 1 372.274 3.863 20 5 FHBDMN COc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051531710 935434012 /nfs/dbraw/zinc/43/40/12/935434012.db2.gz YKXQCXXYVKKZCL-HXUWFJFHSA-N 0 1 356.422 3.549 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000519108760 945115721 /nfs/dbraw/zinc/11/57/21/945115721.db2.gz YHDUGFRZQRWITE-INIZCTEOSA-N 0 1 350.378 3.757 20 5 FHBDMN O=C(Nc1cc(CCc2ccccc2)ccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507300216 945116120 /nfs/dbraw/zinc/11/61/20/945116120.db2.gz IGSAFWORFGJPQU-UHFFFAOYSA-N 0 1 363.373 3.733 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000507289153 945117414 /nfs/dbraw/zinc/11/74/14/945117414.db2.gz DJLUKRKLUZSHNP-OAQYLSRUSA-N 0 1 366.417 3.811 20 5 FHBDMN CC[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000478800118 935724421 /nfs/dbraw/zinc/72/44/21/935724421.db2.gz VJSLUILHUBKUGL-MSOLQXFVSA-N 0 1 371.412 3.970 20 5 FHBDMN CC(C)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000479388947 935834624 /nfs/dbraw/zinc/83/46/24/935834624.db2.gz CQXBNUPEJQKEAM-GOSISDBHSA-N 0 1 369.421 3.871 20 5 FHBDMN COCCOc1cc(C)ccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417202 935878240 /nfs/dbraw/zinc/87/82/40/935878240.db2.gz JUOGVDQTMIJFKB-GOSISDBHSA-N 0 1 356.422 3.706 20 5 FHBDMN Cc1noc(C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)n1 ZINC000563419880 935882672 /nfs/dbraw/zinc/88/26/72/935882672.db2.gz ZVOQMGJWUZTKAS-ZWKOTPCHSA-N 0 1 364.405 3.847 20 5 FHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178632485 935916633 /nfs/dbraw/zinc/91/66/33/935916633.db2.gz KZEKMMFHHIDOJP-UHFFFAOYSA-N 0 1 364.283 3.671 20 5 FHBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N(C)C ZINC000024058180 935916724 /nfs/dbraw/zinc/91/67/24/935916724.db2.gz XYPABSKIGUYZRI-GOSISDBHSA-N 0 1 366.421 3.866 20 5 FHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724392 935990064 /nfs/dbraw/zinc/99/00/64/935990064.db2.gz RFIVUJILOIWPSS-CYBMUJFWSA-N 0 1 351.328 3.998 20 5 FHBDMN CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644924 936022302 /nfs/dbraw/zinc/02/23/02/936022302.db2.gz AQTGWRCLQZBBFQ-HNNXBMFYSA-N 0 1 355.438 3.976 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000178684747 936206671 /nfs/dbraw/zinc/20/66/71/936206671.db2.gz FQJNGAPCJLTFNJ-RYUDHWBXSA-N 0 1 362.817 3.629 20 5 FHBDMN Cc1nc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000178690420 936207105 /nfs/dbraw/zinc/20/71/05/936207105.db2.gz DOVKXRMZSQLCJL-NWDGAFQWSA-N 0 1 362.455 3.654 20 5 FHBDMN CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178691284 936207878 /nfs/dbraw/zinc/20/78/78/936207878.db2.gz BUMDSDUEROOMEX-ZIAGYGMSSA-N 0 1 369.421 3.784 20 5 FHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000061234172 936229549 /nfs/dbraw/zinc/22/95/49/936229549.db2.gz NBJUHNZXSWKWAY-SFHVURJKSA-N 0 1 364.405 3.686 20 5 FHBDMN COc1ccc2c(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000178691328 936232684 /nfs/dbraw/zinc/23/26/84/936232684.db2.gz SULBQYMLDSZJEP-CYBMUJFWSA-N 0 1 368.389 3.869 20 5 FHBDMN CCc1ccc([C@H](NCC2(OC)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414680 936237308 /nfs/dbraw/zinc/23/73/08/936237308.db2.gz YDYZMGZRQVQIMK-LJQANCHMSA-N 0 1 374.437 3.625 20 5 FHBDMN COc1ccccc1[C@H](CNc1ncccc1[N+](=O)[O-])N1CCCCC1 ZINC000052474151 938322906 /nfs/dbraw/zinc/32/29/06/938322906.db2.gz NKPJUYNOQKZWPZ-KRWDZBQOSA-N 0 1 356.426 3.638 20 5 FHBDMN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507365762 945184628 /nfs/dbraw/zinc/18/46/28/945184628.db2.gz YFIVLPRBKMNISX-OAHLLOKOSA-N 0 1 362.769 3.598 20 5 FHBDMN Cn1nccc1C1=CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000584259320 938659513 /nfs/dbraw/zinc/65/95/13/938659513.db2.gz IGMSOSUJEJWVGW-UHFFFAOYSA-N 0 1 364.405 3.878 20 5 FHBDMN CCN(CC)C(=O)c1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000584420723 938847001 /nfs/dbraw/zinc/84/70/01/938847001.db2.gz RTZJTGCFEHQPAK-IBGZPJMESA-N 0 1 367.449 3.854 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000467232443 945209268 /nfs/dbraw/zinc/20/92/68/945209268.db2.gz XAKGMSQTBULKRT-OAQYLSRUSA-N 0 1 367.449 3.939 20 5 FHBDMN C[C@H]1c2c(F)cccc2CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548844612 938998349 /nfs/dbraw/zinc/99/83/49/938998349.db2.gz PHGPKSGAVSGSCN-ZDUSSCGKSA-N 0 1 357.385 3.682 20 5 FHBDMN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000136205277 939014673 /nfs/dbraw/zinc/01/46/73/939014673.db2.gz LJSLZFOOMKZSIR-UHFFFAOYSA-N 0 1 373.840 3.596 20 5 FHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)c1[N+](=O)[O-] ZINC000611988607 939015294 /nfs/dbraw/zinc/01/52/94/939015294.db2.gz UXGCWJVVMZMLBI-YXVBKTCISA-N 0 1 360.439 3.786 20 5 FHBDMN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c2cccnc2c1C ZINC000437303897 945224431 /nfs/dbraw/zinc/22/44/31/945224431.db2.gz LDDYYISHSSPHFR-UHFFFAOYSA-N 0 1 371.418 3.869 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000506758653 945235227 /nfs/dbraw/zinc/23/52/27/945235227.db2.gz RESUVJSKPJABDF-UHFFFAOYSA-N 0 1 364.357 3.759 20 5 FHBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000437312291 945245833 /nfs/dbraw/zinc/24/58/33/945245833.db2.gz YSQQHAFYVJUMEC-DZGCQCFKSA-N 0 1 367.188 3.893 20 5 FHBDMN CCN(CCNc1ccnc2c1cccc2[N+](=O)[O-])CCC(F)(F)F ZINC000432167474 945251120 /nfs/dbraw/zinc/25/11/20/945251120.db2.gz WJDFRSIJADKFNE-UHFFFAOYSA-N 0 1 356.348 3.829 20 5 FHBDMN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507475194 945259171 /nfs/dbraw/zinc/25/91/71/945259171.db2.gz ZPEOBTOZUYDKOP-OLZOCXBDSA-N 0 1 359.451 3.995 20 5 FHBDMN Cc1cccc(C)c1OCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000518265910 945269605 /nfs/dbraw/zinc/26/96/05/945269605.db2.gz FWDLFVFSZVSYRK-UHFFFAOYSA-N 0 1 366.364 3.982 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000179672222 939913373 /nfs/dbraw/zinc/91/33/73/939913373.db2.gz ANXDGFZPSFWHKX-UHFFFAOYSA-N 0 1 370.384 3.508 20 5 FHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179736321 939927889 /nfs/dbraw/zinc/92/78/89/939927889.db2.gz VWQFDDDUHVUOTA-HNNXBMFYSA-N 0 1 357.410 3.673 20 5 FHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000177150619 939964573 /nfs/dbraw/zinc/96/45/73/939964573.db2.gz URPXJMKTIVGEAF-IBGZPJMESA-N 0 1 352.390 3.924 20 5 FHBDMN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507520298 945298733 /nfs/dbraw/zinc/29/87/33/945298733.db2.gz OXQWRXOYEJSNHP-OLZOCXBDSA-N 0 1 359.451 3.995 20 5 FHBDMN COc1ccc(-c2n[nH]c(SCc3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000066006179 940175645 /nfs/dbraw/zinc/17/56/45/940175645.db2.gz NPNJWUMWNYHRKY-UHFFFAOYSA-N 0 1 372.406 3.689 20 5 FHBDMN Cc1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580650802 940481222 /nfs/dbraw/zinc/48/12/22/940481222.db2.gz ZKUDUZCUIKQDJX-ZBFHGGJFSA-N 0 1 369.421 3.849 20 5 FHBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)c2C)o1 ZINC000440238304 945343353 /nfs/dbraw/zinc/34/33/53/945343353.db2.gz BQMCWFONUZFUOJ-UHFFFAOYSA-N 0 1 368.393 3.992 20 5 FHBDMN COc1cc(CN(C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180260661 940891277 /nfs/dbraw/zinc/89/12/77/940891277.db2.gz OFAXHZWFXFYIIX-LLVKDONJSA-N 0 1 358.385 3.868 20 5 FHBDMN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189077502 941146576 /nfs/dbraw/zinc/14/65/76/941146576.db2.gz YQQUMCPWIPYJFT-WOJBJXKFSA-N 0 1 367.449 3.745 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189912494 941299301 /nfs/dbraw/zinc/29/93/01/941299301.db2.gz SUIWSZQKICJBRF-CQSZACIVSA-N 0 1 352.394 3.640 20 5 FHBDMN Cc1ccc([C@@H]2C[C@H](C)N(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954249 941331695 /nfs/dbraw/zinc/33/16/95/941331695.db2.gz LVJWEARFQWBSSY-GOEBONIOSA-N 0 1 367.405 3.647 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549145258 941529935 /nfs/dbraw/zinc/52/99/35/941529935.db2.gz UDKVLTBCMVGHGT-ACHSLPGTSA-N 0 1 352.390 3.851 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122410622 941721529 /nfs/dbraw/zinc/72/15/29/941721529.db2.gz SOGVJNKFCBULEQ-LBPRGKRZSA-N 0 1 369.421 3.684 20 5 FHBDMN Cc1cc(N2CC[C@@H](N3CCCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000473525794 941765277 /nfs/dbraw/zinc/76/52/77/941765277.db2.gz ZYAXCYHZGUPWAL-CYBMUJFWSA-N 0 1 368.275 3.730 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000433707225 941852001 /nfs/dbraw/zinc/85/20/01/941852001.db2.gz BJZXJQMUGLOUMH-JTQLQIEISA-N 0 1 350.806 3.928 20 5 FHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000513337936 941852448 /nfs/dbraw/zinc/85/24/48/941852448.db2.gz HLLHYFGXHIMQHR-UHFFFAOYSA-N 0 1 356.426 3.680 20 5 FHBDMN Cc1ccc(-c2cc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000513347403 941860477 /nfs/dbraw/zinc/86/04/77/941860477.db2.gz ALQDXYRTQDBABI-UHFFFAOYSA-N 0 1 364.405 3.608 20 5 FHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000136812322 941875365 /nfs/dbraw/zinc/87/53/65/941875365.db2.gz SQIWBSINYUBDFB-GOSISDBHSA-N 0 1 367.405 3.649 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000182620296 941947824 /nfs/dbraw/zinc/94/78/24/941947824.db2.gz PPZAUXGEEPQXGL-MRXNPFEDSA-N 0 1 367.449 3.859 20 5 FHBDMN CC[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](CC)O1 ZINC000420950077 942271530 /nfs/dbraw/zinc/27/15/30/942271530.db2.gz FZYPQPPBGZONMT-IAGOWNOFSA-N 0 1 359.426 3.682 20 5 FHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290584960 942291594 /nfs/dbraw/zinc/29/15/94/942291594.db2.gz IAAYZUFUGVRTPX-AOOOYVTPSA-N 0 1 370.331 3.664 20 5 FHBDMN COc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000502332891 942364728 /nfs/dbraw/zinc/36/47/28/942364728.db2.gz NKVZDLODIVFMFT-UHFFFAOYSA-N 0 1 367.449 3.631 20 5 FHBDMN Cc1nc2cc(NCc3ccc([N+](=O)[O-])cc3C)ccc2n1[C@@H](C)CO ZINC000419756049 942368968 /nfs/dbraw/zinc/36/89/68/942368968.db2.gz AGWNYGJXLGZYAY-ZDUSSCGKSA-N 0 1 354.410 3.727 20 5 FHBDMN Cc1nc2cc(NCc3ccc([N+](=O)[O-])cc3C)ccc2n1[C@H](C)CO ZINC000419756047 942369079 /nfs/dbraw/zinc/36/90/79/942369079.db2.gz AGWNYGJXLGZYAY-CYBMUJFWSA-N 0 1 354.410 3.727 20 5 FHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2ccccn2)s1 ZINC000549408073 942475293 /nfs/dbraw/zinc/47/52/93/942475293.db2.gz KHKZANKNMZWRBQ-UHFFFAOYSA-N 0 1 354.435 3.788 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)CC2CCC2)c1[N+](=O)[O-] ZINC000434226983 942533323 /nfs/dbraw/zinc/53/33/23/942533323.db2.gz VMNRDFTUIURNJQ-UHFFFAOYSA-N 0 1 356.426 3.884 20 5 FHBDMN COc1c(O)ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000893223171 942708136 /nfs/dbraw/zinc/70/81/36/942708136.db2.gz XRWIVPQEMKLYBK-WMLDXEAASA-N 0 1 372.421 3.567 20 5 FHBDMN O=C(NCCc1ccc(Cl)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505439531 942789319 /nfs/dbraw/zinc/78/93/19/942789319.db2.gz HGYXNXNOLFIVEV-UHFFFAOYSA-N 0 1 355.177 3.580 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000421742274 942792038 /nfs/dbraw/zinc/79/20/38/942792038.db2.gz RLHIITPRBDZFPS-QGZVFWFLSA-N 0 1 373.478 3.840 20 5 FHBDMN C[C@@H](N[C@@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466755 942796570 /nfs/dbraw/zinc/79/65/70/942796570.db2.gz MMILVWBCOUHMFW-AUUYWEPGSA-N 0 1 368.437 3.838 20 5 FHBDMN CCn1nccc1C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000434786928 942965790 /nfs/dbraw/zinc/96/57/90/942965790.db2.gz SLHYUKPBLDJTQA-UHFFFAOYSA-N 0 1 372.469 3.978 20 5 FHBDMN Cn1ccnc1[C@@H](NCC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000503086567 942969807 /nfs/dbraw/zinc/96/98/07/942969807.db2.gz IVNJNTJALYPYIW-INIZCTEOSA-N 0 1 364.396 3.833 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000434187041 942998243 /nfs/dbraw/zinc/99/82/43/942998243.db2.gz OVELGCMEVWEZCH-OAHLLOKOSA-N 0 1 356.426 3.679 20 5 FHBDMN Cc1cnc([C@H]2CCCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)s1 ZINC000367123540 943009029 /nfs/dbraw/zinc/00/90/29/943009029.db2.gz SXQYXKHNSAENHY-CQSZACIVSA-N 0 1 371.422 3.603 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1[N+](=O)[O-] ZINC000434178143 943186690 /nfs/dbraw/zinc/18/66/90/943186690.db2.gz BHLUYQNKUYSBCB-UHFFFAOYSA-N 0 1 368.397 3.837 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccccc3F)C2)c2c(c1)COCO2 ZINC000503656153 943313500 /nfs/dbraw/zinc/31/35/00/943313500.db2.gz ZALBTOPFYPIEQP-CYBMUJFWSA-N 0 1 358.369 3.590 20 5 FHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425368362 943381759 /nfs/dbraw/zinc/38/17/59/943381759.db2.gz FBFYKSIWRQTHME-IBGZPJMESA-N 0 1 360.454 3.775 20 5 FHBDMN C[C@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947463 943430975 /nfs/dbraw/zinc/43/09/75/943430975.db2.gz LUIDOJWFUXOCFM-OXJNMPFZSA-N 0 1 363.417 3.849 20 5 FHBDMN CC(=O)Nc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417331042 943520731 /nfs/dbraw/zinc/52/07/31/943520731.db2.gz LMWYOALIIHILFG-SFHVURJKSA-N 0 1 354.410 3.506 20 5 FHBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000424266183 943814387 /nfs/dbraw/zinc/81/43/87/943814387.db2.gz WOUKSZQOGJSENU-OAHLLOKOSA-N 0 1 373.409 3.512 20 5 FHBDMN Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515655654 944082160 /nfs/dbraw/zinc/08/21/60/944082160.db2.gz LNSJRXXRZMWOSC-MRXNPFEDSA-N 0 1 369.421 3.678 20 5 FHBDMN COc1cc2c(cc1CN(C)CCc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000517202981 944099693 /nfs/dbraw/zinc/09/96/93/944099693.db2.gz HDSIGOOGELNIPN-CQSZACIVSA-N 0 1 356.422 3.601 20 5 FHBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000506472378 944285024 /nfs/dbraw/zinc/28/50/24/944285024.db2.gz UCSSBLLJMLYMQS-UHFFFAOYSA-N 0 1 370.283 3.802 20 5 FHBDMN CSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000500226119 944291738 /nfs/dbraw/zinc/29/17/38/944291738.db2.gz OXQWRXOYEJSNHP-STQMWFEESA-N 0 1 359.451 3.995 20 5 FHBDMN CSc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000500228987 944304093 /nfs/dbraw/zinc/30/40/93/944304093.db2.gz DNNVKDTXALGIIR-ZDUSSCGKSA-N 0 1 371.462 3.557 20 5 FHBDMN Cc1ccc(C[C@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500233465 944313238 /nfs/dbraw/zinc/31/32/38/944313238.db2.gz GHPIFBRQVLFZQU-QGZVFWFLSA-N 0 1 353.422 3.549 20 5 FHBDMN CCCN(CCc1cccc(F)c1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000500234918 944313949 /nfs/dbraw/zinc/31/39/49/944313949.db2.gz XRGWGWGRSFSVFA-UHFFFAOYSA-N 0 1 373.428 3.651 20 5 FHBDMN COc1c(Cl)cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000506175654 944327925 /nfs/dbraw/zinc/32/79/25/944327925.db2.gz HUTGNNSAHLZMSN-UHFFFAOYSA-N 0 1 357.149 3.868 20 5 FHBDMN Cc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)N2CCCC2)o1 ZINC000473779944 944440336 /nfs/dbraw/zinc/44/03/36/944440336.db2.gz RZILTMLRDKKREQ-KRWDZBQOSA-N 0 1 372.425 3.763 20 5 FHBDMN CC[C@H](NCc1cccc(S(=O)(=O)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000467405709 944501594 /nfs/dbraw/zinc/50/15/94/944501594.db2.gz HCCYCCJJEWNWNT-SFHVURJKSA-N 0 1 362.451 3.629 20 5 FHBDMN C[C@]1(c2ccccc2)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000438484259 944666389 /nfs/dbraw/zinc/66/63/89/944666389.db2.gz QMQBKBAMSMCTIG-FQEVSTJZSA-N 0 1 364.405 3.808 20 5 FHBDMN CN1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000536261096 944671965 /nfs/dbraw/zinc/67/19/65/944671965.db2.gz BENVAAWMCKZWRI-VQIMIIECSA-N 0 1 365.389 3.516 20 5 FHBDMN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(Cl)ccc2O)n1 ZINC000436932340 944795771 /nfs/dbraw/zinc/79/57/71/944795771.db2.gz NJBTZHOROWNQJL-UHFFFAOYSA-N 0 1 360.757 3.658 20 5 FHBDMN O=C(CN1CC[C@@H]2CCC[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426455515 944839841 /nfs/dbraw/zinc/83/98/41/944839841.db2.gz TWROVJBEYWOWGE-BLLLJJGKSA-N 0 1 372.450 3.531 20 5 FHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000507022634 944889176 /nfs/dbraw/zinc/88/91/76/944889176.db2.gz QVIDNYVQBXRWCC-UHFFFAOYSA-N 0 1 368.193 3.608 20 5 FHBDMN Cc1ccc(-c2nnc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000505948772 944962485 /nfs/dbraw/zinc/96/24/85/944962485.db2.gz XNECHCQCGIGPLV-UHFFFAOYSA-N 0 1 370.390 3.688 20 5 FHBDMN O=[N+]([O-])c1cc(CN(CCO)C2CC2)ccc1Oc1ccccc1Cl ZINC000507132658 944975079 /nfs/dbraw/zinc/97/50/79/944975079.db2.gz OKRWTIRHDMSMRL-UHFFFAOYSA-N 0 1 362.813 3.997 20 5 FHBDMN O=C(Nc1nc(Sc2ccccc2)ns1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506348737 945002074 /nfs/dbraw/zinc/00/20/74/945002074.db2.gz NEJAQBYFNQWZPN-UHFFFAOYSA-N 0 1 374.403 3.555 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](c2ccccc2C)C1 ZINC000507201146 945026220 /nfs/dbraw/zinc/02/62/20/945026220.db2.gz DPXSYJRDNSIDPR-MRXNPFEDSA-N 0 1 353.422 3.640 20 5 FHBDMN CCc1nc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000426636979 945425989 /nfs/dbraw/zinc/42/59/89/945425989.db2.gz JMIRXHUAQIAIKJ-UHFFFAOYSA-N 0 1 357.410 3.664 20 5 FHBDMN Cc1cc(NCc2cccc([N+](=O)[O-])c2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000893450274 946010879 /nfs/dbraw/zinc/01/08/79/946010879.db2.gz ACLNEPJLXYTVII-UHFFFAOYSA-N 0 1 352.350 3.702 20 5 FHBDMN COc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]n2)cc1 ZINC000151767072 946121880 /nfs/dbraw/zinc/12/18/80/946121880.db2.gz SWZFKSFTGZSULI-UHFFFAOYSA-N 0 1 352.350 3.554 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c1[N+](=O)[O-] ZINC000444252525 946127414 /nfs/dbraw/zinc/12/74/14/946127414.db2.gz WZBVLHZGFSVPPJ-MRXNPFEDSA-N 0 1 356.426 3.946 20 5 FHBDMN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109222975 946198134 /nfs/dbraw/zinc/19/81/34/946198134.db2.gz OYPVGTRKLJMBIA-ZDUSSCGKSA-N 0 1 366.421 3.957 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000043149794 946397652 /nfs/dbraw/zinc/39/76/52/946397652.db2.gz RGBBYPUEOMWVHP-QGZVFWFLSA-N 0 1 372.425 3.845 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000475555449 946639587 /nfs/dbraw/zinc/63/95/87/946639587.db2.gz MLKAMALXTUBHSW-UHFFFAOYSA-N 0 1 374.416 3.604 20 5 FHBDMN CCN1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000475194483 946678249 /nfs/dbraw/zinc/67/82/49/946678249.db2.gz QPACKDCEPGXPRS-WDEREUQCSA-N 0 1 374.363 3.560 20 5 FHBDMN CCCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000112532143 946908588 /nfs/dbraw/zinc/90/85/88/946908588.db2.gz NYVGBELPOFULNR-CZUORRHYSA-N 0 1 360.414 3.739 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000186325506 946913632 /nfs/dbraw/zinc/91/36/32/946913632.db2.gz CAWUVOQHUSYCLW-UHFFFAOYSA-N 0 1 362.817 3.554 20 5 FHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000444339258 946923179 /nfs/dbraw/zinc/92/31/79/946923179.db2.gz SACWATWVAVOOGF-CQSZACIVSA-N 0 1 364.352 3.526 20 5 FHBDMN CC(C)C[C@H]1OCCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186367868 947075729 /nfs/dbraw/zinc/07/57/29/947075729.db2.gz GGKOGLUYWNCXRY-QZTJIDSGSA-N 0 1 359.426 3.933 20 5 FHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674866 947098801 /nfs/dbraw/zinc/09/88/01/947098801.db2.gz LYLWCWILYDLRIS-ZMZPIMSZSA-N 0 1 374.828 3.990 20 5 FHBDMN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000475614739 947269101 /nfs/dbraw/zinc/26/91/01/947269101.db2.gz HJECEUWDOKEDHK-UHFFFAOYSA-N 0 1 363.757 3.555 20 5 FHBDMN O=[N+]([O-])c1ccc(CCNCc2c(F)cccc2Br)cc1 ZINC000394693452 947560489 /nfs/dbraw/zinc/56/04/89/947560489.db2.gz COOARCNOGRYTCI-UHFFFAOYSA-N 0 1 353.191 3.829 20 5 FHBDMN CC[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC000475624992 947611691 /nfs/dbraw/zinc/61/16/91/947611691.db2.gz LTADRPBIGRDERJ-QRWLVFNGSA-N 0 1 372.421 3.625 20 5 FHBDMN CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[nH]nc1-c1ccncc1 ZINC000097570349 222193352 /nfs/dbraw/zinc/19/33/52/222193352.db2.gz GHSNMLSAZCTBII-UHFFFAOYSA-N 0 1 371.784 3.848 20 5 FHBDMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452873675 567869899 /nfs/dbraw/zinc/86/98/99/567869899.db2.gz JXODQYGMMLGWHT-CQSZACIVSA-N 0 1 360.797 3.974 20 5 FHBDMN CC(C)Oc1cccc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000481388531 567876476 /nfs/dbraw/zinc/87/64/76/567876476.db2.gz YDBKFFYHMDCKPP-LBPRGKRZSA-N 0 1 368.393 3.749 20 5 FHBDMN CCOc1cc(C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000521414614 567957202 /nfs/dbraw/zinc/95/72/02/567957202.db2.gz 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CC(C)c1ccc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000824347731 608526110 /nfs/dbraw/zinc/52/61/10/608526110.db2.gz LTUJXRXYWWGCLM-UHFFFAOYSA-N 0 1 366.425 3.530 20 5 FHBDMN C[C@@H](CN1CCCCC1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277989558 936320811 /nfs/dbraw/zinc/32/08/11/936320811.db2.gz WPWDLSZLZMOYNZ-HNNXBMFYSA-N 0 1 363.461 3.698 20 5 FHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cs1 ZINC000120219139 927768929 /nfs/dbraw/zinc/76/89/29/927768929.db2.gz QAIVURUTBKHSIJ-UHFFFAOYSA-N 0 1 370.305 3.615 20 5 FHBDMN O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000120241221 927833274 /nfs/dbraw/zinc/83/32/74/927833274.db2.gz OGJJZIITGMMBGU-SFHVURJKSA-N 0 1 363.421 3.760 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](COCc2ccccc2)C1 ZINC000430217779 928258128 /nfs/dbraw/zinc/25/81/28/928258128.db2.gz IJQUYZBAGDUBIC-KRWDZBQOSA-N 0 1 356.422 3.642 20 5 FHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1C ZINC000134771725 929222813 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C[C@]1(O)CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538718667 934897941 /nfs/dbraw/zinc/89/79/41/934897941.db2.gz GRQGBTMNVMOJRI-IBGZPJMESA-N 0 1 360.385 3.873 20 5 FHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000119693736 935054719 /nfs/dbraw/zinc/05/47/19/935054719.db2.gz YDWCXTNFHLFQGB-UHFFFAOYSA-N 0 1 369.356 3.895 20 5 FHBDMN CCCCn1c(=O)[nH]nc1SCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000511057471 935166017 /nfs/dbraw/zinc/16/60/17/935166017.db2.gz LCHBBYPIQHQSIU-UHFFFAOYSA-N 0 1 366.443 3.772 20 5 FHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157729823 935171317 /nfs/dbraw/zinc/17/13/17/935171317.db2.gz YPUCAXWRGQCGSC-GXTWGEPZSA-N 0 1 373.457 3.533 20 5 FHBDMN O=C(Nc1cccc(F)c1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507280674 945104958 /nfs/dbraw/zinc/10/49/58/945104958.db2.gz RHRCTPWVCSMSTL-UHFFFAOYSA-N 0 1 357.385 3.585 20 5 FHBDMN O=[N+]([O-])c1ccc(CNCCOc2ncc(Cl)cc2Cl)c(F)c1 ZINC000478248078 935597269 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352.437 3.734 20 5 FHBDMN COc1ccc(C)cc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000102692014 939185143 /nfs/dbraw/zinc/18/51/43/939185143.db2.gz AGAACPKZAATLMZ-CQSZACIVSA-N 0 1 357.410 3.510 20 5 FHBDMN O=C(CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000511845874 945265966 /nfs/dbraw/zinc/26/59/66/945265966.db2.gz XUFOPIZIRRQYCI-ZHALLVOQSA-N 0 1 365.433 3.801 20 5 FHBDMN CC(C)Oc1ccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000179529055 939882227 /nfs/dbraw/zinc/88/22/27/939882227.db2.gz FTFWVRMWYZRKOZ-HNNXBMFYSA-N 0 1 371.437 3.696 20 5 FHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235856 939902177 /nfs/dbraw/zinc/90/21/77/939902177.db2.gz KVMRCZMCQMREOQ-OAHLLOKOSA-N 0 1 368.412 3.996 20 5 FHBDMN Cc1c(NC(=O)[C@@H](C)N2CCSC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000411873256 940145737 /nfs/dbraw/zinc/14/57/37/940145737.db2.gz XRXSRIVOEUDMNG-CQSZACIVSA-N 0 1 363.483 3.592 20 5 FHBDMN Cc1ccc([C@H](C)NCc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000177845878 940462594 /nfs/dbraw/zinc/46/25/94/940462594.db2.gz WSZLGFNVSRPFPT-INIZCTEOSA-N 0 1 367.449 3.990 20 5 FHBDMN CCc1ccc(-c2noc([C@@H](C)NCc3cc(O)ccc3[N+](=O)[O-])n2)cc1 ZINC000580418452 940474530 /nfs/dbraw/zinc/47/45/30/940474530.db2.gz BPIHSZSMAFQXFE-GFCCVEGCSA-N 0 1 368.393 3.764 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](O)CC2)ccc1Oc1ccc(F)cc1 ZINC000581623602 940508403 /nfs/dbraw/zinc/50/84/03/940508403.db2.gz UIBGLNSMFYFEMS-MRXNPFEDSA-N 0 1 360.385 3.873 20 5 FHBDMN C[C@@H](C1CC1)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000582565519 940727189 /nfs/dbraw/zinc/72/71/89/940727189.db2.gz AOXDKAJUXYFZND-INIZCTEOSA-N 0 1 367.449 3.858 20 5 FHBDMN COc1cc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000540911491 940743786 /nfs/dbraw/zinc/74/37/86/940743786.db2.gz BJIVMHFCBGXGRS-ZDUSSCGKSA-N 0 1 369.421 3.803 20 5 FHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1 ZINC000174758230 940772434 /nfs/dbraw/zinc/77/24/34/940772434.db2.gz MBIGLEDWFBUESR-UHFFFAOYSA-N 0 1 360.313 3.500 20 5 FHBDMN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414261514 940849211 /nfs/dbraw/zinc/84/92/11/940849211.db2.gz IECDJKPIXHWRTO-BXUZGUMPSA-N 0 1 356.348 3.596 20 5 FHBDMN Cc1sc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507607230 945354477 /nfs/dbraw/zinc/35/44/77/945354477.db2.gz RZIXWSSWHAXWKH-DOMZBBRYSA-N 0 1 359.451 3.530 20 5 FHBDMN CC[C@@H](C)NC(=O)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180251595 940876304 /nfs/dbraw/zinc/87/63/04/940876304.db2.gz ZBTRWSLCEILTBM-FOIQADDNSA-N 0 1 355.438 3.579 20 5 FHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000180407728 941005771 /nfs/dbraw/zinc/00/57/71/941005771.db2.gz VEFUVCYJAVUMJZ-NSHDSACASA-N 0 1 363.801 3.546 20 5 FHBDMN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000181199493 941112707 /nfs/dbraw/zinc/11/27/07/941112707.db2.gz XBEYBJHXKXSXCG-UHFFFAOYSA-N 0 1 368.798 3.560 20 5 FHBDMN C[C@H](NCC(=O)NCC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181297377 941120522 /nfs/dbraw/zinc/12/05/22/941120522.db2.gz TZDJSYCVEHPHEX-LBPRGKRZSA-N 0 1 359.451 3.500 20 5 FHBDMN CCS[C@H]1CCCC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189498476 941159380 /nfs/dbraw/zinc/15/93/80/941159380.db2.gz JBPWMNNWNXGYRK-CABCVRRESA-N 0 1 362.455 3.799 20 5 FHBDMN CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311465243 941300751 /nfs/dbraw/zinc/30/07/51/941300751.db2.gz MYSRKQCZIKBVSM-HNNXBMFYSA-N 0 1 373.840 3.595 20 5 FHBDMN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000311464361 941301774 /nfs/dbraw/zinc/30/17/74/941301774.db2.gz MUGQGEPPJRMSNN-INIZCTEOSA-N 0 1 373.840 3.595 20 5 FHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(C4CCCC4)s3)CC2)n1 ZINC000376654657 941372592 /nfs/dbraw/zinc/37/25/92/941372592.db2.gz YNFREMDRUMBHDL-UHFFFAOYSA-N 0 1 361.471 3.743 20 5 FHBDMN CCC[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181523991 941424658 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20 5 FHBDMN COc1ccc(OC)c(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000541173446 941995240 /nfs/dbraw/zinc/99/52/40/941995240.db2.gz PHEPIQUMADMWCR-UHFFFAOYSA-N 0 1 353.378 3.503 20 5 FHBDMN C[C@@H]1C[C@H](c2cccs2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000377805577 942003525 /nfs/dbraw/zinc/00/35/25/942003525.db2.gz VTTRKDSVSZGUHK-MNOVXSKESA-N 0 1 356.407 3.551 20 5 FHBDMN Cc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCC2)o1 ZINC000101735423 942012067 /nfs/dbraw/zinc/01/20/67/942012067.db2.gz PKRDYHCDWPXZPL-QGZVFWFLSA-N 0 1 372.425 3.763 20 5 FHBDMN Cn1cnc([N+](=O)[O-])c1N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000413378153 942113259 /nfs/dbraw/zinc/11/32/59/942113259.db2.gz PHLIEAPRKPQDMA-CYBMUJFWSA-N 0 1 360.805 3.590 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420990151 942293046 /nfs/dbraw/zinc/29/30/46/942293046.db2.gz DQCZQVCLWHKAOS-MRXNPFEDSA-N 0 1 363.364 3.828 20 5 FHBDMN Cc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000502306188 942345653 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Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(F)cc1F ZINC000181589727 942776556 /nfs/dbraw/zinc/77/65/56/942776556.db2.gz IGPXOWXJCGCEQJ-LBPRGKRZSA-N 0 1 363.364 3.861 20 5 FHBDMN CCOC(=O)CC1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000434611720 942797054 /nfs/dbraw/zinc/79/70/54/942797054.db2.gz JZJNXRLANNVHLX-UHFFFAOYSA-N 0 1 373.409 3.605 20 5 FHBDMN COc1ccc([C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000421827652 942835418 /nfs/dbraw/zinc/83/54/18/942835418.db2.gz YSWISCHBROMCTC-IBGZPJMESA-N 0 1 360.385 3.992 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000434183851 942940953 /nfs/dbraw/zinc/94/09/53/942940953.db2.gz PJOBJISSJDMIHA-UHFFFAOYSA-N 0 1 366.421 3.909 20 5 FHBDMN Cc1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc2n1 ZINC000505571414 943050127 /nfs/dbraw/zinc/05/01/27/943050127.db2.gz ZFNPPDHJLMHWSA-UHFFFAOYSA-N 0 1 362.433 3.774 20 5 FHBDMN C[C@H]1C[C@@]1(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503368735 943143517 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3.782 20 5 FHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2ccsc2n1 ZINC000504896233 943894987 /nfs/dbraw/zinc/89/49/87/943894987.db2.gz XJVDARKJFHQSMF-LBPRGKRZSA-N 0 1 362.480 3.965 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000505743030 943953067 /nfs/dbraw/zinc/95/30/67/943953067.db2.gz ZZTPNHIDETWSHK-HNNXBMFYSA-N 0 1 369.402 3.887 20 5 FHBDMN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])n[nH]2)cc1C ZINC000436086081 944003948 /nfs/dbraw/zinc/00/39/48/944003948.db2.gz GZYJSWCWBZRUHB-UHFFFAOYSA-N 0 1 364.405 3.874 20 5 FHBDMN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000500058849 944029329 /nfs/dbraw/zinc/02/93/29/944029329.db2.gz WTACEMISHBKJFQ-JKSUJKDBSA-N 0 1 374.441 3.527 20 5 FHBDMN Cc1ccc(OC2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1C ZINC000505788718 944190430 /nfs/dbraw/zinc/19/04/30/944190430.db2.gz WMVBDJUZRHBLIV-UHFFFAOYSA-N 0 1 370.405 3.601 20 5 FHBDMN Nc1ccc2c(c1)CCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414917757 944213198 /nfs/dbraw/zinc/21/31/98/944213198.db2.gz RFNHTGGSGNMSGY-INIZCTEOSA-N 0 1 363.364 3.946 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CN3CC4(CCC4)[C@H]3C3CCOCC3)nc2c1 ZINC000425558223 944337934 /nfs/dbraw/zinc/33/79/34/944337934.db2.gz XJQFGISEOSIIIL-GOSISDBHSA-N 0 1 357.410 3.517 20 5 FHBDMN COc1ccc([C@H]2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1 ZINC000184259172 944355211 /nfs/dbraw/zinc/35/52/11/944355211.db2.gz UKGMASHPZDJGSU-AWEZNQCLSA-N 0 1 360.385 3.741 20 5 FHBDMN COC(=O)c1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000425962409 944417284 /nfs/dbraw/zinc/41/72/84/944417284.db2.gz YCNSRVGVYBHMPR-UHFFFAOYSA-N 0 1 368.311 3.690 20 5 FHBDMN CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1OC ZINC000506191729 944431024 /nfs/dbraw/zinc/43/10/24/944431024.db2.gz NRJFFARIDCBION-ZDUSSCGKSA-N 0 1 358.394 3.922 20 5 FHBDMN Cn1c2ccccc2cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000426314130 944441746 /nfs/dbraw/zinc/44/17/46/944441746.db2.gz WKJJNGAYIFITGR-IBGZPJMESA-N 0 1 363.417 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QOHLBEJDFYZGGE-QGZVFWFLSA-N 0 1 369.465 3.933 20 5 FHBDMN COc1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000101516569 941980179 /nfs/dbraw/zinc/98/01/79/941980179.db2.gz PAECUJMNFUPPMD-UHFFFAOYSA-N 0 1 366.377 4.000 20 5 FHBDMN Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182903461 941992075 /nfs/dbraw/zinc/99/20/75/941992075.db2.gz MSQXHNMXIQSBOR-UHFFFAOYSA-N 0 1 369.146 3.763 20 5 FHBDMN CCCCc1nc2ccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cc2[nH]1 ZINC000433993132 942031574 /nfs/dbraw/zinc/03/15/74/942031574.db2.gz LRZBYDAINWCSOJ-UHFFFAOYSA-N 0 1 370.413 3.913 20 5 FHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000513637118 942049265 /nfs/dbraw/zinc/04/92/65/942049265.db2.gz FTWYOBDLKXJPLI-QGZVFWFLSA-N 0 1 368.433 3.916 20 5 FHBDMN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678020 942070144 /nfs/dbraw/zinc/07/01/44/942070144.db2.gz GXBOVHFKGBZIAB-AUUYWEPGSA-N 0 1 368.412 3.950 20 5 FHBDMN Cc1cccc(NC(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000053163659 942072396 /nfs/dbraw/zinc/07/23/96/942072396.db2.gz TVDGLXWWUYYFNJ-OAHLLOKOSA-N 0 1 368.437 3.710 20 5 FHBDMN CN(C)Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000413140888 942338823 /nfs/dbraw/zinc/33/88/23/942338823.db2.gz LZGGZLKOVSSMLU-UHFFFAOYSA-N 0 1 372.322 3.821 20 5 FHBDMN Cn1ccnc1[C@H](NC[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502337856 942368106 /nfs/dbraw/zinc/36/81/06/942368106.db2.gz YKQNKCBUJSBXMQ-XJKSGUPXSA-N 0 1 364.396 3.833 20 5 FHBDMN COc1c(O)ccc(CN[C@@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000893170578 942368155 /nfs/dbraw/zinc/36/81/55/942368155.db2.gz YIZHWNAFCWBXCS-AWEZNQCLSA-N 0 1 371.437 3.760 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cc(Cl)ccc2F)c1[N+](=O)[O-] ZINC000434343541 942606763 /nfs/dbraw/zinc/60/67/63/942606763.db2.gz WOAVJYQYUFTLSI-UHFFFAOYSA-N 0 1 354.769 3.506 20 5 FHBDMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104708081 942618488 /nfs/dbraw/zinc/61/84/88/942618488.db2.gz MVHHNZJGBAUNEH-UHFFFAOYSA-N 0 1 359.813 3.856 20 5 FHBDMN O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000513968517 942649245 /nfs/dbraw/zinc/64/92/45/942649245.db2.gz FHXDIVWXUNUDDG-UHFFFAOYSA-N 0 1 374.444 3.901 20 5 FHBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000434427049 942654535 /nfs/dbraw/zinc/65/45/35/942654535.db2.gz YADORGGGVQREAO-OAHLLOKOSA-N 0 1 359.451 3.556 20 5 FHBDMN COc1c(O)ccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000893223169 942707937 /nfs/dbraw/zinc/70/79/37/942707937.db2.gz XRWIVPQEMKLYBK-PBHICJAKSA-N 0 1 372.421 3.567 20 5 FHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378463573 942801121 /nfs/dbraw/zinc/80/11/21/942801121.db2.gz RESUANFYVLFBKJ-UHFFFAOYSA-N 0 1 374.466 3.838 20 5 FHBDMN CCC[C@H](C)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434639134 942830935 /nfs/dbraw/zinc/83/09/35/942830935.db2.gz UWALPEYVZQOFTB-LBPRGKRZSA-N 0 1 362.455 3.777 20 5 FHBDMN COc1ccc([C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000421827653 942835679 /nfs/dbraw/zinc/83/56/79/942835679.db2.gz YSWISCHBROMCTC-LJQANCHMSA-N 0 1 360.385 3.992 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCc3ccccc32)CC1 ZINC000503414069 943171389 /nfs/dbraw/zinc/17/13/89/943171389.db2.gz WDSYCDBDQGSYHF-UHFFFAOYSA-N 0 1 367.449 3.631 20 5 FHBDMN O=C(c1cc2[nH]cnc2cc1F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000425315902 943291736 /nfs/dbraw/zinc/29/17/36/943291736.db2.gz OUFSLWNXELZDJF-CYBMUJFWSA-N 0 1 368.368 3.630 20 5 FHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ncnn1C(C)(C)C ZINC000503920985 943410293 /nfs/dbraw/zinc/41/02/93/943410293.db2.gz QKKXNJZKFRUTEV-ZDUSSCGKSA-N 0 1 363.487 3.602 20 5 FHBDMN COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000515045029 943470476 /nfs/dbraw/zinc/47/04/76/943470476.db2.gz ZZBMGZAMQSAPHV-ZDUSSCGKSA-N 0 1 374.393 3.550 20 5 FHBDMN CC(C)c1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000515254602 943605269 /nfs/dbraw/zinc/60/52/69/943605269.db2.gz URBGPUMOLIDDLP-MRXNPFEDSA-N 0 1 360.376 3.998 20 5 FHBDMN CC[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000516897982 943814655 /nfs/dbraw/zinc/81/46/55/943814655.db2.gz KMQXBXIYIMGSNI-VQIMIIECSA-N 0 1 369.465 3.991 20 5 FHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424331271 943848257 /nfs/dbraw/zinc/84/82/57/943848257.db2.gz RXDXUDAVWNGGBL-XVSDVWIESA-N 0 1 357.385 3.539 20 5 FHBDMN NC1(c2noc(-c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)CCCCC1 ZINC000424349373 943856673 /nfs/dbraw/zinc/85/66/73/943856673.db2.gz QTNHAILHPIHPRR-UHFFFAOYSA-N 0 1 365.393 3.825 20 5 FHBDMN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505730073 943876084 /nfs/dbraw/zinc/87/60/84/943876084.db2.gz SYMBIDWROALDOP-UHFFFAOYSA-N 0 1 358.684 3.808 20 5 FHBDMN COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000424414103 943911266 /nfs/dbraw/zinc/91/12/66/943911266.db2.gz GXPZNNWWPMFHHY-XIKOKIGWSA-N 0 1 374.393 3.549 20 5 FHBDMN Cc1ccc([C@H](C)NC(=O)c2n[nH]c3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000500108388 944113155 /nfs/dbraw/zinc/11/31/55/944113155.db2.gz UXCYYMYLUNFVJY-JTQLQIEISA-N 0 1 358.785 3.924 20 5 FHBDMN CCCOc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000505784297 944161224 /nfs/dbraw/zinc/16/12/24/944161224.db2.gz WPGCWHLJQIHAQM-LBPRGKRZSA-N 0 1 374.393 3.589 20 5 FHBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H](c1ccco1)N1CCCC1 ZINC000436270921 944170085 /nfs/dbraw/zinc/17/00/85/944170085.db2.gz CELDLCTVSLOJOD-CYBMUJFWSA-N 0 1 370.331 3.851 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000007052354 944280124 /nfs/dbraw/zinc/28/01/24/944280124.db2.gz DKNLSYPSRROPEF-CMDGGOBGSA-N 0 1 368.798 3.669 20 5 FHBDMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000515869611 944285225 /nfs/dbraw/zinc/28/52/25/944285225.db2.gz CXSMAEYWSWONMC-AWEZNQCLSA-N 0 1 358.369 3.812 20 5 FHBDMN Cc1sc2nc(SCc3cc(O)ccc3[N+](=O)[O-])nc(N)c2c1C ZINC000436475242 944355913 /nfs/dbraw/zinc/35/59/13/944355913.db2.gz NVZNQOSZKMDBOO-UHFFFAOYSA-N 0 1 362.436 3.796 20 5 FHBDMN COc1ccccc1CCN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000729464483 944365172 /nfs/dbraw/zinc/36/51/72/944365172.db2.gz WUNDBHGSCVRLJU-UHFFFAOYSA-N 0 1 366.421 3.599 20 5 FHBDMN CCCc1[nH]nc(C(=O)N(C)CCc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000517633976 944454638 /nfs/dbraw/zinc/45/46/38/944454638.db2.gz YVFSCHLCXOVXPC-UHFFFAOYSA-N 0 1 366.421 3.738 20 5 FHBDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000473787136 944481974 /nfs/dbraw/zinc/48/19/74/944481974.db2.gz MLPKOKAQWPBKLV-INIZCTEOSA-N 0 1 360.414 3.701 20 5 FHBDMN Cc1ccc([C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000473602585 944580318 /nfs/dbraw/zinc/58/03/18/944580318.db2.gz YHZJBKNNQATSCN-IBGZPJMESA-N 0 1 363.373 3.523 20 5 FHBDMN COc1ccc([C@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000184317075 944591255 /nfs/dbraw/zinc/59/12/55/944591255.db2.gz ZPVLLXUHNBLAHF-LJQANCHMSA-N 0 1 360.385 3.992 20 5 FHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)Cc3cccc(F)c3)o2)cc1 ZINC000426384322 944608647 /nfs/dbraw/zinc/60/86/47/944608647.db2.gz GKXMCSXXFLGZCW-UHFFFAOYSA-N 0 1 370.380 3.988 20 5 FHBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436826735 944698081 /nfs/dbraw/zinc/69/80/81/944698081.db2.gz LRHJAASNBWJNMO-UHFFFAOYSA-N 0 1 369.204 3.922 20 5 FHBDMN CC[N@H+]1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000509598572 944761583 /nfs/dbraw/zinc/76/15/83/944761583.db2.gz BSLDZLXWYNSJFC-OXJNMPFZSA-N 0 1 371.485 3.546 20 5 FHBDMN COc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2c1C(=O)CO2 ZINC000518849564 944842266 /nfs/dbraw/zinc/84/22/66/944842266.db2.gz LZVQIVOBYPBDAB-UHFFFAOYSA-N 0 1 368.370 3.969 20 5 FHBDMN CCCSC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426827989 944852575 /nfs/dbraw/zinc/85/25/75/944852575.db2.gz JVONQLJTQVTAMT-HNNXBMFYSA-N 0 1 364.423 3.541 20 5 FHBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000500425789 944875605 /nfs/dbraw/zinc/87/56/05/944875605.db2.gz FHPVLRZAOMNBHR-OAHLLOKOSA-N 0 1 363.211 3.971 20 5 FHBDMN Cc1ccccc1[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000507179747 945010659 /nfs/dbraw/zinc/01/06/59/945010659.db2.gz HTKCHEOATPUHGB-HOTGVXAUSA-N 0 1 353.422 3.720 20 5 FHBDMN C[C@H](O)[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000507697628 945461296 /nfs/dbraw/zinc/46/12/96/945461296.db2.gz KMDIKMHVPJBVEZ-DZGCQCFKSA-N 0 1 360.385 3.729 20 5 FHBDMN CCN(CC)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000440412060 945514456 /nfs/dbraw/zinc/51/44/56/945514456.db2.gz UQPWTAIQCVKVPU-LJQANCHMSA-N 0 1 353.422 3.567 20 5 FHBDMN CCc1[nH]nc(C(=O)N(CCc2ccccc2F)C2CCCC2)c1[N+](=O)[O-] ZINC000444147042 945982413 /nfs/dbraw/zinc/98/24/13/945982413.db2.gz ZWOOWMMILFCPOJ-UHFFFAOYSA-N 0 1 374.416 3.647 20 5 FHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520094803 946110509 /nfs/dbraw/zinc/11/05/09/946110509.db2.gz RDSQSOZAXMSCIK-INIZCTEOSA-N 0 1 371.412 3.893 20 5 FHBDMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444243414 946118065 /nfs/dbraw/zinc/11/80/65/946118065.db2.gz PVRAIWVYEYNBFU-QGZVFWFLSA-N 0 1 355.438 3.795 20 5 FHBDMN CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485023 946270642 /nfs/dbraw/zinc/27/06/42/946270642.db2.gz CKSOVYSFEMKRKB-STQMWFEESA-N 0 1 374.466 3.777 20 5 FHBDMN CC[C@H]1CCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485023 946270643 /nfs/dbraw/zinc/27/06/43/946270643.db2.gz CKSOVYSFEMKRKB-STQMWFEESA-N 0 1 374.466 3.777 20 5 FHBDMN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475487385 946411654 /nfs/dbraw/zinc/41/16/54/946411654.db2.gz QQOWCMJNVMWXMN-UHFFFAOYSA-N 0 1 374.246 3.633 20 5 FHBDMN COc1cc(CN[C@@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000475500360 946500649 /nfs/dbraw/zinc/50/06/49/946500649.db2.gz FDMHMILYAWNXAW-MRXNPFEDSA-N 0 1 360.385 3.918 20 5 FHBDMN COc1ccc(-c2ccc(CN[C@@H](C)c3cn(C)nc3C)o2)c([N+](=O)[O-])c1 ZINC000237438544 946552024 /nfs/dbraw/zinc/55/20/24/946552024.db2.gz AMZDBWRVPQBBIA-LBPRGKRZSA-N 0 1 370.409 3.756 20 5 FHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001126143143 946619210 /nfs/dbraw/zinc/61/92/10/946619210.db2.gz QPJJXAQZEQNBEN-UHFFFAOYSA-N 0 1 359.470 3.548 20 5 FHBDMN COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475580873 946746015 /nfs/dbraw/zinc/74/60/15/946746015.db2.gz GSBAALDLMLQGBG-HNNXBMFYSA-N 0 1 372.421 3.648 20 5 FHBDMN C[C@@H]1OCC[C@@]12CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000475290045 946829159 /nfs/dbraw/zinc/82/91/59/946829159.db2.gz DZDOLGIFHGLJRA-IFXJQAMLSA-N 0 1 374.462 3.703 20 5 FHBDMN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649437 947070736 /nfs/dbraw/zinc/07/07/36/947070736.db2.gz JLRMIIOHTFVTFX-GOEBONIOSA-N 0 1 350.422 3.924 20 5 FHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2ncsc2c1 ZINC000444690740 947115411 /nfs/dbraw/zinc/11/54/11/947115411.db2.gz UZFRRUPVABDDBT-JTQLQIEISA-N 0 1 353.407 3.932 20 5 FHBDMN Cc1cc(C)cc(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000444696649 947121392 /nfs/dbraw/zinc/12/13/92/947121392.db2.gz WEFBKVNULVPZLY-MRXNPFEDSA-N 0 1 355.438 3.979 20 5 FHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000444869693 947296348 /nfs/dbraw/zinc/29/63/48/947296348.db2.gz JNSXKXHTUFJJJR-UHFFFAOYSA-N 0 1 357.336 3.666 20 5 FHBDMN Cc1ccc([C@H](C)NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000445093652 947508204 /nfs/dbraw/zinc/50/82/04/947508204.db2.gz QBVWJIXZZSQXAP-ZDUSSCGKSA-N 0 1 373.457 3.826 20 5 FHBDMN CCCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000549613840 948026340 /nfs/dbraw/zinc/02/63/40/948026340.db2.gz RVYATINNZDZNDA-HNNXBMFYSA-N 0 1 371.437 3.848 20 5 FHBDMN Cc1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000141483739 948228257 /nfs/dbraw/zinc/22/82/57/948228257.db2.gz WEBAFPOSAILROL-MRXNPFEDSA-N 0 1 366.377 3.883 20 5 FHBDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512082677 948380984 /nfs/dbraw/zinc/38/09/84/948380984.db2.gz KNQCKRJBQWRQEF-SFHVURJKSA-N 0 1 371.437 3.688 20 5 FHBDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512082676 948381522 /nfs/dbraw/zinc/38/15/22/948381522.db2.gz KNQCKRJBQWRQEF-GOSISDBHSA-N 0 1 371.437 3.688 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000432488874 948564601 /nfs/dbraw/zinc/56/46/01/948564601.db2.gz IKFJZUGGOMCWJB-LJQANCHMSA-N 0 1 352.390 3.983 20 5 FHBDMN CSc1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000541802203 567849291 /nfs/dbraw/zinc/84/92/91/567849291.db2.gz XTHWMLYPXKYIOJ-UHFFFAOYSA-N 0 1 352.437 3.734 20 5 FHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@H](N2CCOCC2)CC1 ZINC000568532987 568047880 /nfs/dbraw/zinc/04/78/80/568047880.db2.gz MJUVOMLWLLMYJZ-ZDUSSCGKSA-N 0 1 374.268 3.593 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000481571046 568057870 /nfs/dbraw/zinc/05/78/70/568057870.db2.gz LHAYSZUCFSWYMA-YJBOKZPZSA-N 0 1 355.438 3.773 20 5 FHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1 ZINC000436653191 568231866 /nfs/dbraw/zinc/23/18/66/568231866.db2.gz STQWNOSSYRYMGZ-UHFFFAOYSA-N 0 1 353.334 3.627 20 5 FHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000436643793 568233840 /nfs/dbraw/zinc/23/38/40/568233840.db2.gz GHSCGAWPOKYUOT-UHFFFAOYSA-N 0 1 369.377 3.720 20 5 FHBDMN CNC(=O)C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065269 568253483 /nfs/dbraw/zinc/25/34/83/568253483.db2.gz CUTMRRGTZHPOKO-OALUTQOASA-N 0 1 367.449 3.784 20 5 FHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000453023918 568254618 /nfs/dbraw/zinc/25/46/18/568254618.db2.gz SBTLSFZKNYHGDU-QUCCMNQESA-N 0 1 368.433 3.562 20 5 FHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000453023920 568255506 /nfs/dbraw/zinc/25/55/06/568255506.db2.gz SBTLSFZKNYHGDU-UYAOXDASSA-N 0 1 368.433 3.562 20 5 FHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000453023920 568255507 /nfs/dbraw/zinc/25/55/07/568255507.db2.gz SBTLSFZKNYHGDU-UYAOXDASSA-N 0 1 368.433 3.562 20 5 FHBDMN C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000569014929 568268586 /nfs/dbraw/zinc/26/85/86/568268586.db2.gz YCEWBYNKHHXBAX-UHFFFAOYSA-N 0 1 369.465 3.644 20 5 FHBDMN Cc1cc(C)cc([C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000181956445 568268907 /nfs/dbraw/zinc/26/89/07/568268907.db2.gz VUTSRHUATASMTB-AWEZNQCLSA-N 0 1 364.405 3.718 20 5 FHBDMN Cc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])ccc1-n1cncn1 ZINC000291706029 568278285 /nfs/dbraw/zinc/27/82/85/568278285.db2.gz KRDDLQKBUFCXCE-UHFFFAOYSA-N 0 1 351.410 3.509 20 5 FHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000569652546 568415147 /nfs/dbraw/zinc/41/51/47/568415147.db2.gz AJFINNQYWBKVBL-WDEREUQCSA-N 0 1 360.418 3.672 20 5 FHBDMN COCOc1ccc(OC)cc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120403685 568540178 /nfs/dbraw/zinc/54/01/78/568540178.db2.gz SWZBVTOQOLZLPH-AWEZNQCLSA-N 0 1 360.410 3.745 20 5 FHBDMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000736584092 600402254 /nfs/dbraw/zinc/40/22/54/600402254.db2.gz PBDYVEUAYBDPOU-CYBMUJFWSA-N 0 1 362.813 3.971 20 5 FHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000828495052 600821888 /nfs/dbraw/zinc/82/18/88/600821888.db2.gz UWQQRBMTCRVCSJ-GJZGRUSLSA-N 0 1 369.421 3.565 20 5 FHBDMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1C(=O)[O-] ZINC000833628946 604665667 /nfs/dbraw/zinc/66/56/67/604665667.db2.gz CUDJETDLCNATKJ-IINYFYTJSA-N 0 1 364.785 3.661 20 5 FHBDMN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000834158057 605805443 /nfs/dbraw/zinc/80/54/43/605805443.db2.gz LNCJVRXNWUDXKL-HZPDHXFCSA-N 0 1 361.785 3.792 20 5 FHBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994854 722192149 /nfs/dbraw/zinc/19/21/49/722192149.db2.gz QHAUADWYKPRFAP-FQEVSTJZSA-N 0 1 370.428 3.682 20 5 FHBDMN Cc1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164992848 722192455 /nfs/dbraw/zinc/19/24/55/722192455.db2.gz BFLSODHNXDDRAT-HXUWFJFHSA-N 0 1 370.428 3.682 20 5 FHBDMN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995346 722195938 /nfs/dbraw/zinc/19/59/38/722195938.db2.gz UWIKRXLHSPEMNL-IBGZPJMESA-N 0 1 374.391 3.513 20 5 FHBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2C1 ZINC000162182898 936353406 /nfs/dbraw/zinc/35/34/06/936353406.db2.gz GPZQIETYMBIFDI-UHFFFAOYSA-N 0 1 357.385 3.958 20 5 FHBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000178746640 936379995 /nfs/dbraw/zinc/37/99/95/936379995.db2.gz GXCHBLSZLXCREV-INIZCTEOSA-N 0 1 368.355 3.649 20 5 FHBDMN CC1CCN([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000027573500 937138003 /nfs/dbraw/zinc/13/80/03/937138003.db2.gz HZFSXJDNMQJXDK-KRWDZBQOSA-N 0 1 373.478 3.859 20 5 FHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3COc4ccccc43)cs2)c1 ZINC000579757860 927308249 /nfs/dbraw/zinc/30/82/49/927308249.db2.gz LBCMNDOZLARELS-AWEZNQCLSA-N 0 1 367.430 3.984 20 5 FHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(SC(F)F)c2)cs1 ZINC000120236440 927833358 /nfs/dbraw/zinc/83/33/58/927833358.db2.gz WBWVJEKOHFBXFN-UHFFFAOYSA-N 0 1 366.392 3.772 20 5 FHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000120303195 928047180 /nfs/dbraw/zinc/04/71/80/928047180.db2.gz RZRQJNIGOZFDRA-HNNXBMFYSA-N 0 1 362.455 3.698 20 5 FHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000430232317 928349711 /nfs/dbraw/zinc/34/97/11/928349711.db2.gz MBCKHMSVGQEDIY-FUHWJXTLSA-N 0 1 362.813 3.877 20 5 FHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000157650700 928367087 /nfs/dbraw/zinc/36/70/87/928367087.db2.gz MQWHYJNBCYXZLI-UHFFFAOYSA-N 0 1 369.406 3.744 20 5 FHBDMN Cn1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccncc2)n1 ZINC000154295036 928697397 /nfs/dbraw/zinc/69/73/97/928697397.db2.gz IWOMJOFNAJRJFJ-UHFFFAOYSA-N 0 1 363.421 3.555 20 5 FHBDMN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000467982022 928742882 /nfs/dbraw/zinc/74/28/82/928742882.db2.gz UXLHNAWKXXPPNX-JTQLQIEISA-N 0 1 368.206 3.785 20 5 FHBDMN CS[C@H]1CCCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000134576826 929069594 /nfs/dbraw/zinc/06/95/94/929069594.db2.gz ZKWGSLHECFMAJR-WFASDCNBSA-N 0 1 362.455 3.923 20 5 FHBDMN C[N@@H+](CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC000547738245 929147236 /nfs/dbraw/zinc/14/72/36/929147236.db2.gz RGWXYWUFTFYBFY-UHFFFAOYSA-N 0 1 355.822 3.547 20 5 FHBDMN CCOc1cc(NC[C@@H](c2ccccc2OC)N(C)C)ccc1[N+](=O)[O-] ZINC000471241509 929595173 /nfs/dbraw/zinc/59/51/73/929595173.db2.gz QKTQPKCPFKDDAW-KRWDZBQOSA-N 0 1 359.426 3.717 20 5 FHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000610368006 930166089 /nfs/dbraw/zinc/16/60/89/930166089.db2.gz AZAVDKMNHQCMAG-OAHLLOKOSA-N 0 1 359.470 3.817 20 5 FHBDMN COc1ccc(C)cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610370990 930174939 /nfs/dbraw/zinc/17/49/39/930174939.db2.gz KVVGKZYCAPZVRO-UHFFFAOYSA-N 0 1 356.422 3.955 20 5 FHBDMN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000583390921 937398170 /nfs/dbraw/zinc/39/81/70/937398170.db2.gz FGOLROAQOLUINA-SUNYJGFJSA-N 0 1 365.433 3.538 20 5 FHBDMN O=C(CN1CCC[C@H]1C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000610390812 930304860 /nfs/dbraw/zinc/30/48/60/930304860.db2.gz FRPAXEIHTCCEFE-INIZCTEOSA-N 0 1 372.450 3.531 20 5 FHBDMN C[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580273546 930428912 /nfs/dbraw/zinc/42/89/12/930428912.db2.gz CSRBORKKQZGQJF-CRAIPNDOSA-N 0 1 371.437 3.635 20 5 FHBDMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134245216 930767616 /nfs/dbraw/zinc/76/76/16/930767616.db2.gz QRQBNUALGGTREC-KZULUSFZSA-N 0 1 353.378 3.560 20 5 FHBDMN Cc1cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580650799 930971425 /nfs/dbraw/zinc/97/14/25/930971425.db2.gz ZKUDUZCUIKQDJX-GOEBONIOSA-N 0 1 369.421 3.849 20 5 FHBDMN Cc1cc(C2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000275998259 931308875 /nfs/dbraw/zinc/30/88/75/931308875.db2.gz HHXZTQDZYYHCHG-UHFFFAOYSA-N 0 1 356.426 3.770 20 5 FHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@]2(CCCOC2)C1 ZINC000477045902 931741966 /nfs/dbraw/zinc/74/19/66/931741966.db2.gz FZCARQMPEVTKBD-IFXJQAMLSA-N 0 1 372.425 3.598 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000610505499 932026679 /nfs/dbraw/zinc/02/66/79/932026679.db2.gz MRBMEFNETYRKEY-QGZVFWFLSA-N 0 1 373.384 3.518 20 5 FHBDMN Cc1ccnc2c1cccc2S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000548279343 932805105 /nfs/dbraw/zinc/80/51/05/932805105.db2.gz AJVAIKMVEAHCBR-UHFFFAOYSA-N 0 1 371.418 3.869 20 5 FHBDMN C/C(=C/C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785071714 932834232 /nfs/dbraw/zinc/83/42/32/932834232.db2.gz XNTXJNRLVGMSLN-RNUYOQPASA-N 0 1 371.412 3.556 20 5 FHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000178201800 932842123 /nfs/dbraw/zinc/84/21/23/932842123.db2.gz RYCHXFMDRCQJLL-SNVBAGLBSA-N 0 1 367.327 3.610 20 5 FHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134812824 934338331 /nfs/dbraw/zinc/33/83/31/934338331.db2.gz JCYFSBAJHLSNBO-QFBILLFUSA-N 0 1 362.376 3.961 20 5 FHBDMN C[C@H](CCSc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610899977 934583544 /nfs/dbraw/zinc/58/35/44/934583544.db2.gz ABGGVKJEBXSKFI-MRXNPFEDSA-N 0 1 372.494 3.683 20 5 FHBDMN COc1ccc(CNCc2ccc(C)c(Br)c2)cc1[N+](=O)[O-] ZINC000611243512 934765074 /nfs/dbraw/zinc/76/50/74/934765074.db2.gz YKTKVLBBHXGUDX-UHFFFAOYSA-N 0 1 365.227 3.964 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@H]1c1ccco1 ZINC000119501842 934845442 /nfs/dbraw/zinc/84/54/42/934845442.db2.gz NJEKCISCKAGIHV-HNNXBMFYSA-N 0 1 354.366 3.822 20 5 FHBDMN COc1cc(CN2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538792720 934904673 /nfs/dbraw/zinc/90/46/73/934904673.db2.gz FNWVOUBDELRHCA-MNOVXSKESA-N 0 1 362.348 3.775 20 5 FHBDMN Cc1ccnc2c1cccc2S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000548611508 934996515 /nfs/dbraw/zinc/99/65/15/934996515.db2.gz XMUKJHPJVYTAMP-UHFFFAOYSA-N 0 1 371.418 3.869 20 5 FHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000014254858 935074327 /nfs/dbraw/zinc/07/43/27/935074327.db2.gz BAEPLXMOLNLYHJ-UHFFFAOYSA-N 0 1 364.276 3.554 20 5 FHBDMN CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511074537 935267247 /nfs/dbraw/zinc/26/72/47/935267247.db2.gz VHAHWHOQIQMTPZ-FQEVSTJZSA-N 0 1 369.465 3.679 20 5 FHBDMN CCOc1cc(CSc2nc(Cc3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000478755705 935708088 /nfs/dbraw/zinc/70/80/88/935708088.db2.gz DSNSLBMMZWSJCW-UHFFFAOYSA-N 0 1 370.434 3.995 20 5 FHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000178681673 936173472 /nfs/dbraw/zinc/17/34/72/936173472.db2.gz POAWLTMAKRLTRA-IKGGRYGDSA-N 0 1 369.465 3.862 20 5 FHBDMN Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684300 936205688 /nfs/dbraw/zinc/20/56/88/936205688.db2.gz IJAZYVDFZGFLLV-HZPDHXFCSA-N 0 1 355.438 3.567 20 5 FHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178690591 936207151 /nfs/dbraw/zinc/20/71/51/936207151.db2.gz RIVMUVJABRSDDA-LSDHHAIUSA-N 0 1 373.428 3.740 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000178691583 936208319 /nfs/dbraw/zinc/20/83/19/936208319.db2.gz CFHALJNWSZTMMQ-NEPJUHHUSA-N 0 1 363.364 3.859 20 5 FHBDMN CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178691652 936208823 /nfs/dbraw/zinc/20/88/23/936208823.db2.gz QZBRDUZQLAVTGH-HUUCEWRRSA-N 0 1 371.437 3.980 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000178689166 936210963 /nfs/dbraw/zinc/21/09/63/936210963.db2.gz CWTKBNPIYPNQBJ-KGLIPLIRSA-N 0 1 373.478 3.589 20 5 FHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000178689193 936211079 /nfs/dbraw/zinc/21/10/79/936211079.db2.gz CWTKBNPIYPNQBJ-ZIAGYGMSSA-N 0 1 373.478 3.589 20 5 FHBDMN COc1ccc(OC)c([C@H]2CCCN2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000506734896 945161749 /nfs/dbraw/zinc/16/17/49/945161749.db2.gz LTSBLVPWVVSQOJ-GOSISDBHSA-N 0 1 358.394 3.655 20 5 FHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000178957693 938357685 /nfs/dbraw/zinc/35/76/85/938357685.db2.gz LLSJTYHGMHJXRL-HNAYVOBHSA-N 0 1 356.422 3.861 20 5 FHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000507357947 945170471 /nfs/dbraw/zinc/17/04/71/945170471.db2.gz GXOKOTZYRWWHCF-CYBMUJFWSA-N 0 1 358.369 3.849 20 5 FHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCc1ccccc1 ZINC000053048041 938852206 /nfs/dbraw/zinc/85/22/06/938852206.db2.gz WJLZKUIZRZZVKU-CQSZACIVSA-N 0 1 352.394 3.880 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000136085660 938991288 /nfs/dbraw/zinc/99/12/88/938991288.db2.gz BMWYYCJBXWVZOF-QAPCUYQASA-N 0 1 358.442 3.662 20 5 FHBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H](CN3CCCC3)c3ccccc3)nc2c1 ZINC000611935211 938993032 /nfs/dbraw/zinc/99/30/32/938993032.db2.gz CVZGKTWPICLVAU-SFHVURJKSA-N 0 1 366.421 3.663 20 5 FHBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000188271332 939126219 /nfs/dbraw/zinc/12/62/19/939126219.db2.gz BGYUWJJSKWHJFZ-NSHDSACASA-N 0 1 356.382 3.850 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2ncco2)c1C ZINC000427299571 945261844 /nfs/dbraw/zinc/26/18/44/945261844.db2.gz OHHXOFTYSKKBCV-UHFFFAOYSA-N 0 1 373.390 3.667 20 5 FHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179862207 940014139 /nfs/dbraw/zinc/01/41/39/940014139.db2.gz VHDKUWMTRMITEZ-UHFFFAOYSA-N 0 1 360.320 3.980 20 5 FHBDMN COC(=O)c1cnc([C@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000414081071 940487065 /nfs/dbraw/zinc/48/70/65/940487065.db2.gz AYYGIUKSWFIVHK-LBPRGKRZSA-N 0 1 363.439 3.511 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccc(O)cc21 ZINC000180217528 940828315 /nfs/dbraw/zinc/82/83/15/940828315.db2.gz KMSHJGNDSFMFJM-UHFFFAOYSA-N 0 1 358.375 3.563 20 5 FHBDMN Cc1[nH]nc2cc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc12 ZINC000180320302 940958568 /nfs/dbraw/zinc/95/85/68/940958568.db2.gz HNNWMTMKFMZQSI-UHFFFAOYSA-N 0 1 374.784 3.841 20 5 FHBDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000186293566 940975493 /nfs/dbraw/zinc/97/54/93/940975493.db2.gz WQCCAAVLWANSLQ-NSHDSACASA-N 0 1 369.356 3.570 20 5 FHBDMN C[C@@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420435 941009591 /nfs/dbraw/zinc/00/95/91/941009591.db2.gz CLKLMPCIVQKJIA-QRWLVFNGSA-N 0 1 367.449 3.781 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2ccsc2)CC1 ZINC000188714736 941049888 /nfs/dbraw/zinc/04/98/88/941049888.db2.gz FOIJZLRCAFCOAN-UHFFFAOYSA-N 0 1 356.407 3.552 20 5 FHBDMN C[C@@H](NCC(=O)NCC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181297398 941120431 /nfs/dbraw/zinc/12/04/31/941120431.db2.gz TZDJSYCVEHPHEX-GFCCVEGCSA-N 0 1 359.451 3.500 20 5 FHBDMN COc1cc(CNCc2ccc(C(F)(F)F)cc2C)c([N+](=O)[O-])cc1O ZINC000188915783 941130856 /nfs/dbraw/zinc/13/08/56/941130856.db2.gz CKWOYUNLXHCHPM-UHFFFAOYSA-N 0 1 370.327 3.926 20 5 FHBDMN CC[C@H](N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189077482 941146556 /nfs/dbraw/zinc/14/65/56/941146556.db2.gz YQQUMCPWIPYJFT-VQTJNVASSA-N 0 1 367.449 3.745 20 5 FHBDMN Cn1ncc2c1CCCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000414470257 941288575 /nfs/dbraw/zinc/28/85/75/941288575.db2.gz IFNPSIQXJBISEW-UHFFFAOYSA-N 0 1 352.394 3.537 20 5 FHBDMN Cc1ccc([C@@H]2C[C@@H](C)N(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954248 941331270 /nfs/dbraw/zinc/33/12/70/941331270.db2.gz LVJWEARFQWBSSY-GDBMZVCRSA-N 0 1 367.405 3.647 20 5 FHBDMN Cc1ccc([C@H]2C[C@@H](C)N(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954251 941331837 /nfs/dbraw/zinc/33/18/37/941331837.db2.gz LVJWEARFQWBSSY-ZBFHGGJFSA-N 0 1 367.405 3.647 20 5 FHBDMN CC(C)C[C@H](N)c1noc(-c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC000414621775 941415825 /nfs/dbraw/zinc/41/58/25/941415825.db2.gz MDNFJAUBNPGZRL-AWEZNQCLSA-N 0 1 353.382 3.753 20 5 FHBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3cncc4ccccc43)CC2)cc1 ZINC000472760942 941691052 /nfs/dbraw/zinc/69/10/52/941691052.db2.gz BOKGMNNBMLVQKW-UHFFFAOYSA-N 0 1 362.433 3.508 20 5 FHBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(CCc2cccs2)CC1 ZINC000473523018 941762669 /nfs/dbraw/zinc/76/26/69/941762669.db2.gz RAISUWNJCJAWOF-UHFFFAOYSA-N 0 1 368.462 3.569 20 5 FHBDMN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(F)cncc1F ZINC000513247068 941813141 /nfs/dbraw/zinc/81/31/41/941813141.db2.gz IXJRQDJRJMHDFH-LLVKDONJSA-N 0 1 374.347 3.816 20 5 FHBDMN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000513272577 941825061 /nfs/dbraw/zinc/82/50/61/941825061.db2.gz RKIDHVOLXQOYOJ-HNAYVOBHSA-N 0 1 365.433 3.567 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1[N+](=O)[O-] ZINC000433830073 941926070 /nfs/dbraw/zinc/92/60/70/941926070.db2.gz HCJATALRSNIZOF-FZMZJTMJSA-N 0 1 372.425 3.963 20 5 FHBDMN CCOc1ccc([C@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433840143 941937098 /nfs/dbraw/zinc/93/70/98/941937098.db2.gz CGYJFUBYCPWCDD-OAHLLOKOSA-N 0 1 372.425 3.817 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000433855731 941943526 /nfs/dbraw/zinc/94/35/26/941943526.db2.gz VEFIQHXQLPDLMZ-UHFFFAOYSA-N 0 1 370.453 3.926 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000433985178 942024299 /nfs/dbraw/zinc/02/42/99/942024299.db2.gz UHPUGBRLNSJSJO-HNNXBMFYSA-N 0 1 356.426 3.679 20 5 FHBDMN Cc1cc(C(=O)NC2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c(C)o1 ZINC000183326962 942081861 /nfs/dbraw/zinc/08/18/61/942081861.db2.gz VUYCBCHDVRJXDU-UHFFFAOYSA-N 0 1 371.437 3.507 20 5 FHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000728724706 942089360 /nfs/dbraw/zinc/08/93/60/942089360.db2.gz DTJFQQRQNMQRTP-UHFFFAOYSA-N 0 1 351.362 3.959 20 5 FHBDMN COc1cccc(-c2nsc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000102910815 942145422 /nfs/dbraw/zinc/14/54/22/942145422.db2.gz JVMADCOSYQEAKM-UHFFFAOYSA-N 0 1 374.353 3.513 20 5 FHBDMN CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000541193643 942152159 /nfs/dbraw/zinc/15/21/59/942152159.db2.gz UARNBUGJWHPUBG-ZIAGYGMSSA-N 0 1 356.426 3.538 20 5 FHBDMN O=C(Nc1cccc(Cl)c1SCC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000137165768 942241305 /nfs/dbraw/zinc/24/13/05/942241305.db2.gz JHJHDXSLNNCCAA-UHFFFAOYSA-N 0 1 362.745 3.581 20 5 FHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420995536 942295597 /nfs/dbraw/zinc/29/55/97/942295597.db2.gz OUVVNLCLEINYRJ-CQSZACIVSA-N 0 1 363.364 3.828 20 5 FHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc(-c2cccnc2)n[nH]1 ZINC000103719122 942303864 /nfs/dbraw/zinc/30/38/64/942303864.db2.gz CDZITGDSJFODGD-UHFFFAOYSA-N 0 1 371.422 3.854 20 5 FHBDMN COc1cc(CN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505318940 942475088 /nfs/dbraw/zinc/47/50/88/942475088.db2.gz DRSGPRQMYKMBJW-NSHDSACASA-N 0 1 362.348 3.776 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1[N+](=O)[O-] ZINC000434244330 942544006 /nfs/dbraw/zinc/54/40/06/942544006.db2.gz HBISBIDVSHQNDV-ZDUSSCGKSA-N 0 1 374.466 3.696 20 5 FHBDMN Cc1ccc([C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000541393248 942671505 /nfs/dbraw/zinc/67/15/05/942671505.db2.gz MJPNIJQCJBFJAC-KRWDZBQOSA-N 0 1 353.422 3.640 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(F)cc1F ZINC000181589747 942776656 /nfs/dbraw/zinc/77/66/56/942776656.db2.gz IGPXOWXJCGCEQJ-GFCCVEGCSA-N 0 1 363.364 3.861 20 5 FHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000469177245 942793225 /nfs/dbraw/zinc/79/32/25/942793225.db2.gz XDNYXDXFUHYANU-IBGZPJMESA-N 0 1 356.426 3.679 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc(F)cc(C)c2C1 ZINC000502876159 942807387 /nfs/dbraw/zinc/80/73/87/942807387.db2.gz HDQZVSQFTRXPJC-UHFFFAOYSA-N 0 1 371.412 3.738 20 5 FHBDMN C[C@H](C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000414652224 943103497 /nfs/dbraw/zinc/10/34/97/943103497.db2.gz GQPMFXYICHOTQT-GFCCVEGCSA-N 0 1 362.357 3.679 20 5 FHBDMN CN(Cc1ccccc1Br)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000505666730 943342669 /nfs/dbraw/zinc/34/26/69/943342669.db2.gz XREVNSCRVMEWSP-UHFFFAOYSA-N 0 1 351.200 3.695 20 5 FHBDMN CC[C@H]1C[C@H](C)CN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000467208879 943480454 /nfs/dbraw/zinc/48/04/54/943480454.db2.gz VGAUTCRMPMPBDD-JSGCOSHPSA-N 0 1 374.466 3.777 20 5 FHBDMN CCCC[N@@H+](C)CC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000584842721 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20 5 FHBDMN Cc1c(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000504913348 943909365 /nfs/dbraw/zinc/90/93/65/943909365.db2.gz DRKQOXMEZUOVAP-KRWDZBQOSA-N 0 1 368.437 3.689 20 5 FHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000500033021 943978497 /nfs/dbraw/zinc/97/84/97/943978497.db2.gz XFOFNODMIKOFGN-QGZVFWFLSA-N 0 1 368.368 3.978 20 5 FHBDMN O=[N+]([O-])c1cccc2c(N3CCN(Cc4ccsc4)CC3)ccnc21 ZINC000517115155 944021679 /nfs/dbraw/zinc/02/16/79/944021679.db2.gz AUCVDPQKGCAQFD-UHFFFAOYSA-N 0 1 354.435 3.527 20 5 FHBDMN CCn1c2ccc(Cl)cc2nc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000092570469 944026113 /nfs/dbraw/zinc/02/61/13/944026113.db2.gz OJFIBBUJHMFMCR-UHFFFAOYSA-N 0 1 358.785 3.600 20 5 FHBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC000500154684 944178185 /nfs/dbraw/zinc/17/81/85/944178185.db2.gz LZUBJGOIENPURS-UHFFFAOYSA-N 0 1 365.792 3.848 20 5 FHBDMN CCOc1cc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)ccc1[N+](=O)[O-] ZINC000092658213 944179557 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3.881 20 5 FHBDMN Cc1ccsc1CCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439842567 945023544 /nfs/dbraw/zinc/02/35/44/945023544.db2.gz OYLJOELPFGPDAE-UHFFFAOYSA-N 0 1 371.422 3.711 20 5 FHBDMN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ncc(Br)cc1F ZINC000427534233 945485927 /nfs/dbraw/zinc/48/59/27/945485927.db2.gz ORUDJRDMFSGDPL-JTQLQIEISA-N 0 1 368.206 3.785 20 5 FHBDMN CCCCO[C@H]1C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000519725690 945676759 /nfs/dbraw/zinc/67/67/59/945676759.db2.gz PQPSKPHAOYZDQO-CVEARBPZSA-N 0 1 374.441 3.718 20 5 FHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000181759904 945750021 /nfs/dbraw/zinc/75/00/21/945750021.db2.gz YFGHPHCFJVJCMU-ZDUSSCGKSA-N 0 1 353.378 3.939 20 5 FHBDMN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)O1 ZINC000108931078 946086014 /nfs/dbraw/zinc/08/60/14/946086014.db2.gz RWNXBGABIFRIRA-VXGBXAGGSA-N 0 1 361.364 3.525 20 5 FHBDMN CCc1[nH]nc(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000444260575 946142693 /nfs/dbraw/zinc/14/26/93/946142693.db2.gz OSNCIASTYYZZJQ-ZDUSSCGKSA-N 0 1 356.426 3.884 20 5 FHBDMN C[C@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000093318021 946262137 /nfs/dbraw/zinc/26/21/37/946262137.db2.gz XELLHNLKQYUGMT-LPHOPBHVSA-N 0 1 369.465 3.785 20 5 FHBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000109403762 946273480 /nfs/dbraw/zinc/27/34/80/946273480.db2.gz RRJLQQRZEGBPSO-UHFFFAOYSA-N 0 1 372.812 3.832 20 5 FHBDMN COc1ccc(OCCN2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441410237 946565462 /nfs/dbraw/zinc/56/54/62/946565462.db2.gz KYMWPYVHVRCDJR-SFHVURJKSA-N 0 1 374.462 3.772 20 5 FHBDMN CC1CCC(N2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001126142545 946600255 /nfs/dbraw/zinc/60/02/55/946600255.db2.gz GHXUQLLDALGDME-UHFFFAOYSA-N 0 1 373.497 3.595 20 5 FHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000475567716 946683216 /nfs/dbraw/zinc/68/32/16/946683216.db2.gz 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