smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(NCCc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000074726922 185013213 /nfs/dbraw/zinc/01/32/13/185013213.db2.gz HCDKGUUZYZRAKV-UHFFFAOYSA-N 0 0 317.374 2.901 50 5 DFBARN Cc1ncsc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000071799843 282229980 /nfs/dbraw/zinc/22/99/80/282229980.db2.gz KDGQAXLPPXTFDE-MRVPVSSYSA-N 0 0 303.343 2.951 50 5 DFBARN O=C(COc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000008734259 190632417 /nfs/dbraw/zinc/63/24/17/190632417.db2.gz SFDYGZVVNMYPAS-UHFFFAOYSA-N 0 0 316.288 2.702 50 5 DFBARN CCN(C[C@H]1CCOC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000095447725 185367966 /nfs/dbraw/zinc/36/79/66/185367966.db2.gz PCPUAGQFGYXCOK-LLVKDONJSA-N 0 0 317.345 2.575 50 5 DFBARN CN(C)c1cccc(CNc2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000301866927 529792203 /nfs/dbraw/zinc/79/22/03/529792203.db2.gz VNXXOBCFUOPWMG-UHFFFAOYSA-N 0 0 307.741 2.716 50 5 DFBARN COc1ccc(CCN(C)c2ccc([N+](=O)[O-])cn2)cc1OC ZINC000022799057 398420479 /nfs/dbraw/zinc/42/04/79/398420479.db2.gz VVNBNNJUYWWXJD-UHFFFAOYSA-N 0 0 317.345 2.686 50 5 DFBARN CCCSCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000068103457 190747925 /nfs/dbraw/zinc/74/79/25/190747925.db2.gz IMBSAOVELGLYPZ-UHFFFAOYSA-N 0 0 320.374 2.862 50 5 DFBARN Cc1nn(Cc2cncc(Br)c2)c(C)c1[N+](=O)[O-] ZINC000032315736 398528255 /nfs/dbraw/zinc/52/82/55/398528255.db2.gz CICOSIKHJLHADK-UHFFFAOYSA-N 0 0 311.139 2.614 50 5 DFBARN O=[N+]([O-])c1cnccc1Nc1cccc(N2CCC(O)CC2)c1 ZINC000069736919 190808155 /nfs/dbraw/zinc/80/81/55/190808155.db2.gz WNGBXESQLJCENJ-UHFFFAOYSA-N 0 0 314.345 2.695 50 5 DFBARN C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)NC(C)(C)C ZINC000072283341 191103863 /nfs/dbraw/zinc/10/38/63/191103863.db2.gz RXRFRKFMYMKONG-JTQLQIEISA-N 0 0 316.361 2.858 50 5 DFBARN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000072331454 191125143 /nfs/dbraw/zinc/12/51/43/191125143.db2.gz IMMYOEOQTZQRIQ-UHFFFAOYSA-N 0 0 316.313 2.542 50 5 DFBARN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000097095522 398663690 /nfs/dbraw/zinc/66/36/90/398663690.db2.gz PUOZPFAOJNSRAO-RISCZKNCSA-N 0 0 324.764 2.889 50 5 DFBARN COc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000062309 180680750 /nfs/dbraw/zinc/68/07/50/180680750.db2.gz UFICAKQOIWBEHB-UHFFFAOYSA-N 0 0 315.281 2.643 50 5 DFBARN Cc1cc(C)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000206537 180725656 /nfs/dbraw/zinc/72/56/56/180725656.db2.gz WEIRZXXYWLOSMA-UHFFFAOYSA-N 0 0 303.343 2.977 50 5 DFBARN CO[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000072511521 191184976 /nfs/dbraw/zinc/18/49/76/191184976.db2.gz CGNHORVNVNYPHX-NSHDSACASA-N 0 0 300.742 2.649 50 5 DFBARN O=C(Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCCC1 ZINC000001414980 180863973 /nfs/dbraw/zinc/86/39/73/180863973.db2.gz KKNCEZMQGHKLEQ-UHFFFAOYSA-N 0 0 317.370 2.883 50 5 DFBARN CC(=O)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001728600 180892407 /nfs/dbraw/zinc/89/24/07/180892407.db2.gz LVHCZMCBHGZLLI-UHFFFAOYSA-N 0 0 321.310 2.565 50 5 DFBARN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000004697320 181138626 /nfs/dbraw/zinc/13/86/26/181138626.db2.gz NTKZVGOOKKHPEV-GFCCVEGCSA-N 0 0 320.370 2.943 50 5 DFBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc2ccccc21 ZINC000004846075 181162373 /nfs/dbraw/zinc/16/23/73/181162373.db2.gz FVOPHDACMHUAEY-UHFFFAOYSA-N 0 0 310.313 2.892 50 5 DFBARN CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000004905331 181170996 /nfs/dbraw/zinc/17/09/96/181170996.db2.gz YZFXTMNGYZWATA-UHFFFAOYSA-N 0 0 312.391 2.767 50 5 DFBARN CS(=O)(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004905570 181171526 /nfs/dbraw/zinc/17/15/26/181171526.db2.gz CBABZRCJVRWZPR-UHFFFAOYSA-N 0 0 318.354 2.693 50 5 DFBARN C[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000005109422 181204192 /nfs/dbraw/zinc/20/41/92/181204192.db2.gz GCXCZOHOPBMYLM-JHJVBQTASA-N 0 0 306.362 2.915 50 5 DFBARN CC(C)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000005118543 181205139 /nfs/dbraw/zinc/20/51/39/181205139.db2.gz NWYJZAPGGDQWLD-VIFPVBQESA-N 0 0 300.742 2.788 50 5 DFBARN O=C(COC(=O)c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005128221 181207197 /nfs/dbraw/zinc/20/71/97/181207197.db2.gz PMHJZNLILJUNHU-UHFFFAOYSA-N 0 0 318.260 2.529 50 5 DFBARN O=C(NCCC1=CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005251527 181222461 /nfs/dbraw/zinc/22/24/61/181222461.db2.gz ZWJQDRNHIZVRKJ-UHFFFAOYSA-N 0 0 317.345 2.540 50 5 DFBARN N=c1sc2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000005569402 181258407 /nfs/dbraw/zinc/25/84/07/181258407.db2.gz NTTZNTVGYWOCJT-UHFFFAOYSA-N 0 0 317.370 2.699 50 5 in-vitro DFBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000005568342 181258673 /nfs/dbraw/zinc/25/86/73/181258673.db2.gz IFNWATDGEYDLRY-UHFFFAOYSA-N 0 0 318.782 2.813 50 5 DFBARN CC(C)OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005607228 181263064 /nfs/dbraw/zinc/26/30/64/181263064.db2.gz JJGYOIJIBSIUDQ-UHFFFAOYSA-N 0 0 306.240 2.977 50 5 DFBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000075260511 398793614 /nfs/dbraw/zinc/79/36/14/398793614.db2.gz XZBZVWWCDMPUNN-LDWCXNJISA-N 0 0 318.377 2.653 50 5 DFBARN O=[N+]([O-])c1ccc(N2CC[C@@H](CCO)C2)cc1C(F)(F)F ZINC000089769712 192863019 /nfs/dbraw/zinc/86/30/19/192863019.db2.gz SSZZOJJUVHDNQT-VIFPVBQESA-N 0 0 304.268 2.822 50 5 DFBARN O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)CC(F)(F)F)cc1 ZINC000189359739 200387066 /nfs/dbraw/zinc/38/70/66/200387066.db2.gz HWIMXLCJCQNTNN-NSHDSACASA-N 0 0 315.251 2.772 50 5 DFBARN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccco1 ZINC000006557449 181354066 /nfs/dbraw/zinc/35/40/66/181354066.db2.gz MZYPCJSATNAINC-YRNVUSSQSA-N 0 0 317.688 2.759 50 5 DFBARN CSc1ccc(C(=O)NCCCOC(C)C)cc1[N+](=O)[O-] ZINC000006784298 181387783 /nfs/dbraw/zinc/38/77/83/181387783.db2.gz WXRIKIJHQWYPDQ-UHFFFAOYSA-N 0 0 312.391 2.862 50 5 DFBARN Cc1nn(CC(=O)Nc2c(C)cccc2C)c(C)c1[N+](=O)[O-] ZINC000008390719 181553284 /nfs/dbraw/zinc/55/32/84/181553284.db2.gz YWICILWUDFLCHV-UHFFFAOYSA-N 0 0 302.334 2.664 50 5 DFBARN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000013285349 181841610 /nfs/dbraw/zinc/84/16/10/181841610.db2.gz RBSQUAMJHUOCJO-UHFFFAOYSA-N 0 0 321.720 2.969 50 5 DFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000015836419 182020497 /nfs/dbraw/zinc/02/04/97/182020497.db2.gz UPKOAMSQQTYWOG-ZDUSSCGKSA-N 0 0 322.342 2.714 50 5 DFBARN CCOc1ncccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000019161838 182105895 /nfs/dbraw/zinc/10/58/95/182105895.db2.gz YKKIPLXZXTUQKH-UHFFFAOYSA-N 0 0 301.302 2.949 50 5 DFBARN O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000019161367 182106173 /nfs/dbraw/zinc/10/61/73/182106173.db2.gz SBLCGYUWTUZIBC-UHFFFAOYSA-N 0 0 314.297 2.547 50 5 DFBARN CCOC(=O)c1ccoc1COc1ccc(OC)cc1[N+](=O)[O-] ZINC000022044052 182306562 /nfs/dbraw/zinc/30/65/62/182306562.db2.gz XVGTXHSZCGPLFP-UHFFFAOYSA-N 0 0 321.285 2.952 50 5 DFBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000022085961 182308512 /nfs/dbraw/zinc/30/85/12/182308512.db2.gz VEKOICOQIMLTRN-NWDGAFQWSA-N 0 0 315.329 2.635 50 5 DFBARN Cc1cc(C(=O)NCCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000023142405 182351291 /nfs/dbraw/zinc/35/12/91/182351291.db2.gz ZXKAOILOEPBQPX-UHFFFAOYSA-N 0 0 318.304 2.851 50 5 DFBARN Cc1c(C(=O)NCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000023142379 182351532 /nfs/dbraw/zinc/35/15/32/182351532.db2.gz GBTJDMHZGSERQY-UHFFFAOYSA-N 0 0 318.304 2.851 50 5 DFBARN COc1cccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000025017286 182399835 /nfs/dbraw/zinc/39/98/35/182399835.db2.gz YJDACOIKXZARKM-UHFFFAOYSA-N 0 0 315.281 2.643 50 5 DFBARN O=[N+]([O-])c1cn(Cc2cc(Cl)c3c(c2)OCCCO3)cn1 ZINC000025451721 182416137 /nfs/dbraw/zinc/41/61/37/182416137.db2.gz XWBOPSWINYOJLB-UHFFFAOYSA-N 0 0 309.709 2.654 50 5 DFBARN O=C(OC[C@@H]1CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029866314 182578921 /nfs/dbraw/zinc/57/89/21/182578921.db2.gz JVPSNEBZXGPECW-LBPRGKRZSA-N 0 0 306.318 2.505 50 5 DFBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc(F)c1 ZINC000040511083 183086752 /nfs/dbraw/zinc/08/67/52/183086752.db2.gz JISKGXFVHHDZEA-UHFFFAOYSA-N 0 0 302.305 2.935 50 5 DFBARN Cc1cc(C)n(CCOC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000042776995 183307969 /nfs/dbraw/zinc/30/79/69/183307969.db2.gz VKPQFXZKKKNIGR-UHFFFAOYSA-N 0 0 303.318 2.574 50 5 DFBARN Cc1nn(C)c(NCc2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000051622310 183831783 /nfs/dbraw/zinc/83/17/83/183831783.db2.gz IFOTVUBWJISCGU-UHFFFAOYSA-N 0 0 312.276 2.850 50 5 DFBARN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000055021032 183958278 /nfs/dbraw/zinc/95/82/78/183958278.db2.gz USPYDAZYQJPZLY-UHFFFAOYSA-N 0 0 321.283 2.948 50 5 DFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccccn1 ZINC000055514832 183990109 /nfs/dbraw/zinc/99/01/09/183990109.db2.gz PUBBMVJTNCVBKQ-INIZCTEOSA-N 0 0 311.341 2.896 50 5 DFBARN Cc1occc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000057011029 184024269 /nfs/dbraw/zinc/02/42/69/184024269.db2.gz VERPMSNFTPYPRH-UHFFFAOYSA-N 0 0 324.358 2.625 50 5 DFBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncccc1OC(F)F ZINC000057698404 184047079 /nfs/dbraw/zinc/04/70/79/184047079.db2.gz SOIMMXIZRBYJAC-UHFFFAOYSA-N 0 0 323.255 2.772 50 5 DFBARN CC1CCC(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000057854100 184058002 /nfs/dbraw/zinc/05/80/02/184058002.db2.gz ZIZTVYMEOXTPFC-UHFFFAOYSA-N 0 0 310.325 2.808 50 5 DFBARN O=[N+]([O-])c1c(NC[C@@H](O)c2ccccc2F)nc2ccccn21 ZINC000058244494 184094036 /nfs/dbraw/zinc/09/40/36/184094036.db2.gz UJUICNGJFIMQPS-GFCCVEGCSA-N 0 0 316.292 2.527 50 5 DFBARN CC(C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000058418208 184115338 /nfs/dbraw/zinc/11/53/38/184115338.db2.gz ZRFSJBONVPNHIO-UHFFFAOYSA-N 0 0 302.334 2.627 50 5 DFBARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000058426272 184116532 /nfs/dbraw/zinc/11/65/32/184116532.db2.gz ZKKOQZSFINPJQN-GJZGRUSLSA-N 0 0 310.309 2.521 50 5 DFBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@H]1c1cccs1 ZINC000064819690 184303789 /nfs/dbraw/zinc/30/37/89/184303789.db2.gz ATGVZCPCEBFZML-CQSZACIVSA-N 0 0 317.326 2.895 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1scnc1C ZINC000065594408 184370936 /nfs/dbraw/zinc/37/09/36/184370936.db2.gz OKXHMDZHBQILJJ-UHFFFAOYSA-N 0 0 308.315 2.725 50 5 DFBARN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CCCCC1 ZINC000065594177 184371019 /nfs/dbraw/zinc/37/10/19/184371019.db2.gz HTDRLLMMOAXNRP-UHFFFAOYSA-N 0 0 322.409 2.979 50 5 DFBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)OCO3 ZINC000000095020 296350056 /nfs/dbraw/zinc/35/00/56/296350056.db2.gz TVXUVYGQVVDYDM-SNVBAGLBSA-N 0 0 312.281 2.798 50 5 DFBARN CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152919457 196835194 /nfs/dbraw/zinc/83/51/94/196835194.db2.gz XHGYJYHUFBNFFP-UHFFFAOYSA-N 0 0 301.140 2.887 50 5 DFBARN CC(=O)c1ccc(NCc2cn(C(C)C)nn2)c([N+](=O)[O-])c1 ZINC000408518515 257255717 /nfs/dbraw/zinc/25/57/17/257255717.db2.gz LMEMKQREHBWYII-UHFFFAOYSA-N 0 0 303.322 2.582 50 5 DFBARN O=[N+]([O-])c1cnc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)s1 ZINC000408515733 257255885 /nfs/dbraw/zinc/25/58/85/257255885.db2.gz KQCBRAMOZXHMNV-GFCCVEGCSA-N 0 0 323.349 2.893 50 5 DFBARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000239653922 257259789 /nfs/dbraw/zinc/25/97/89/257259789.db2.gz BLQLNMFULDYFFU-OWCLPIDISA-N 0 0 318.373 2.804 50 5 DFBARN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1F ZINC000004687290 257267625 /nfs/dbraw/zinc/26/76/25/257267625.db2.gz WXJKKJKZLQZYCA-NSHDSACASA-N 0 0 317.320 2.964 50 5 DFBARN Cn1cnnc1Sc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000004117400 134458453 /nfs/dbraw/zinc/45/84/53/134458453.db2.gz KHQUNLWVDQABPL-UHFFFAOYSA-N 0 0 319.390 2.865 50 5 DFBARN CC[C@@H]1CCCCN1C(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000185017280 145682149 /nfs/dbraw/zinc/68/21/49/145682149.db2.gz BDSYLSZQKITFSV-LLVKDONJSA-N 0 0 310.325 2.904 50 5 DFBARN Cc1cc([N+](=O)[O-])nn1C[C@H](O)Cc1ccc2ccccc2c1 ZINC000360686106 148907479 /nfs/dbraw/zinc/90/74/79/148907479.db2.gz PXIQMHJUNVNCPX-MRXNPFEDSA-N 0 0 311.341 2.857 50 5 DFBARN Cc1cccc(N2CCC(OC[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000225459964 292558455 /nfs/dbraw/zinc/55/84/55/292558455.db2.gz HETJWCKYTPZXPU-CQSZACIVSA-N 0 0 320.389 2.925 50 5 DFBARN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000068451618 425918209 /nfs/dbraw/zinc/91/82/09/425918209.db2.gz OUWKIDTXCKXAAI-UHFFFAOYSA-N 0 0 320.374 2.906 50 5 DFBARN O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 ZINC000000038564 425530194 /nfs/dbraw/zinc/53/01/94/425530194.db2.gz HULZOGAIIIXOPX-UHFFFAOYSA-N 0 0 304.346 2.980 50 5 DFBARN COC(=O)c1cc(C(=O)Nc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000000060819 425533064 /nfs/dbraw/zinc/53/30/64/425533064.db2.gz WRDPSYZHAKKYRU-UHFFFAOYSA-N 0 0 318.260 2.773 50 5 DFBARN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000102485 425536190 /nfs/dbraw/zinc/53/61/90/425536190.db2.gz WZMJVNVCCIYBBL-UHFFFAOYSA-N 0 0 322.342 2.713 50 5 DFBARN O=c1ccc(-c2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000000131826 425539607 /nfs/dbraw/zinc/53/96/07/425539607.db2.gz NRTUJCAMBICFTD-UHFFFAOYSA-N 0 0 311.272 2.947 50 5 DFBARN O=C(OC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000000230261 425546787 /nfs/dbraw/zinc/54/67/87/425546787.db2.gz NDQMLLNUSKDSOY-CYBMUJFWSA-N 0 0 315.281 2.592 50 5 DFBARN O=C(Oc1ccc2ccc(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000209950 425545064 /nfs/dbraw/zinc/54/50/64/425545064.db2.gz MIWDPRUJZUUBTR-UHFFFAOYSA-N 0 0 311.249 2.920 50 5 DFBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)s1 ZINC000000237046 425546861 /nfs/dbraw/zinc/54/68/61/425546861.db2.gz GVRDXGPVYIZUBU-UHFFFAOYSA-N 0 0 317.414 2.974 50 5 DFBARN CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000299256 425550853 /nfs/dbraw/zinc/55/08/53/425550853.db2.gz FJCHJVHCAAKPMV-UHFFFAOYSA-N 0 0 300.270 2.772 50 5 DFBARN COc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000295365 425551232 /nfs/dbraw/zinc/55/12/32/425551232.db2.gz 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O=[N+]([O-])c1cccc(-c2nnn(Cc3ccc(Cl)cc3)n2)c1 ZINC000000090084 425534901 /nfs/dbraw/zinc/53/49/01/425534901.db2.gz LEEGTDVOJKYKHW-UHFFFAOYSA-N 0 0 315.720 2.950 50 5 DFBARN COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000000101382 425536142 /nfs/dbraw/zinc/53/61/42/425536142.db2.gz VEMZDWGACUJARE-UHFFFAOYSA-N 0 0 316.313 2.793 50 5 DFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000000101920 425536305 /nfs/dbraw/zinc/53/63/05/425536305.db2.gz ZXSLLJMVQPTDDM-UHFFFAOYSA-N 0 0 311.341 2.557 50 5 DFBARN O=C(Oc1ccc(-c2csnn2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000106822 425536470 /nfs/dbraw/zinc/53/64/70/425536470.db2.gz DPTPYCOQDJCQCP-UHFFFAOYSA-N 0 0 317.282 2.926 50 5 DFBARN Cc1c(Cl)cccc1NC(=O)CCCn1cnc([N+](=O)[O-])n1 ZINC000000215155 425546781 /nfs/dbraw/zinc/54/67/81/425546781.db2.gz VRGRXBJONQQSFD-UHFFFAOYSA-N 0 0 323.740 2.567 50 5 DFBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccnc1 ZINC000000197189 425543150 /nfs/dbraw/zinc/54/31/50/425543150.db2.gz 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O=C(CN1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006880833 425631330 /nfs/dbraw/zinc/63/13/30/425631330.db2.gz UXLSGLWACQIZHV-UHFFFAOYSA-N 0 0 311.341 2.592 50 5 DFBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000006885870 425631743 /nfs/dbraw/zinc/63/17/43/425631743.db2.gz WXJSIUIWASGQMO-UHFFFAOYSA-N 0 0 315.304 2.735 50 5 DFBARN COc1cc(C(=O)Nc2ncc(C)s2)c([N+](=O)[O-])cc1OC ZINC000006969152 425633836 /nfs/dbraw/zinc/63/38/36/425633836.db2.gz OYGLBAFHQPBUFP-UHFFFAOYSA-N 0 0 323.330 2.629 50 5 DFBARN O=C(c1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000009028631 425680184 /nfs/dbraw/zinc/68/01/84/425680184.db2.gz JGGOWUULONNLLW-UHFFFAOYSA-N 0 0 303.245 2.736 50 5 DFBARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000009134330 425682059 /nfs/dbraw/zinc/68/20/59/425682059.db2.gz AMOJKFCJJPRHPX-UHFFFAOYSA-N 0 0 311.297 2.732 50 5 DFBARN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ccccc21 ZINC000010960206 425707167 /nfs/dbraw/zinc/70/71/67/425707167.db2.gz 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O=[N+]([O-])c1cc(-n2cnnn2)ccc1Sc1ccc(F)cc1 ZINC000032826086 425840075 /nfs/dbraw/zinc/84/00/75/425840075.db2.gz HCEDKUHCMBVOFK-UHFFFAOYSA-N 0 0 317.305 2.861 50 5 DFBARN C[C@@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000032851093 425840245 /nfs/dbraw/zinc/84/02/45/425840245.db2.gz CPRYYYKKBQFCJN-JTQLQIEISA-N 0 0 319.386 2.948 50 5 DFBARN COc1ccc(CCNc2ncccc2[N+](=O)[O-])cc1OC ZINC000033014469 425841200 /nfs/dbraw/zinc/84/12/00/425841200.db2.gz GXAHRBQCRUDWQE-UHFFFAOYSA-N 0 0 303.318 2.662 50 5 DFBARN CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000044485652 425856575 /nfs/dbraw/zinc/85/65/75/425856575.db2.gz NUZWTGPEDQCDGA-SJORKVTESA-N 0 0 310.353 2.977 50 5 DFBARN O=C(c1ccoc1)N1CCC(Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000069413741 425938283 /nfs/dbraw/zinc/93/82/83/425938283.db2.gz XVSODDDRSHRRLV-UHFFFAOYSA-N 0 0 315.329 2.905 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1[C@H](C)NC(=O)[C@H](C)OCC1CC1 ZINC000071830668 425993443 /nfs/dbraw/zinc/99/34/43/425993443.db2.gz 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O=C(Oc1ccc2oc(=O)sc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000000094607 425536237 /nfs/dbraw/zinc/53/62/37/425536237.db2.gz GEEOLKWKBRNEQP-UHFFFAOYSA-N 0 0 317.278 2.982 50 5 DFBARN O=C(NCC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000142218 425538324 /nfs/dbraw/zinc/53/83/24/425538324.db2.gz HYPVBIQFGGEMAH-VIFPVBQESA-N 0 0 303.145 2.909 50 5 DFBARN O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(O)c1 ZINC000000127425 425539036 /nfs/dbraw/zinc/53/90/36/425539036.db2.gz NTEKWBSTOGJVHX-UHFFFAOYSA-N 0 0 300.270 2.512 50 5 DFBARN COC(=O)c1ccccc1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000000168897 425541827 /nfs/dbraw/zinc/54/18/27/425541827.db2.gz HZHQYQOTHWXLDR-UHFFFAOYSA-N 0 0 301.254 2.986 50 5 DFBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccco3)CC2)cc1 ZINC000000169378 425542446 /nfs/dbraw/zinc/54/24/46/425542446.db2.gz HTTOPZXLJIPTFT-UHFFFAOYSA-N 0 0 301.346 2.506 50 5 DFBARN COc1cc(C(=O)Nc2ccc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000000176841 425542492 /nfs/dbraw/zinc/54/24/92/425542492.db2.gz NVMWLSDQNJWEFB-UHFFFAOYSA-N 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CC(C)(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004090353 425617123 /nfs/dbraw/zinc/61/71/23/425617123.db2.gz WLQZFWXWPSMXII-UHFFFAOYSA-N 0 0 305.378 2.680 50 5 DFBARN Cc1ccc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000004104332 425617263 /nfs/dbraw/zinc/61/72/63/425617263.db2.gz VGCXCOJYMWDTRD-UHFFFAOYSA-N 0 0 305.315 2.623 50 5 DFBARN O=[N+]([O-])c1ccc(N2CCN(c3ccccc3Cl)CC2)cn1 ZINC000005688303 425625235 /nfs/dbraw/zinc/62/52/35/425625235.db2.gz DEYUEIBXAJXFEF-UHFFFAOYSA-N 0 0 318.764 2.970 50 5 DFBARN C[C@H]1CCCC[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000012739514 425736458 /nfs/dbraw/zinc/73/64/58/425736458.db2.gz VOBDOXZUMVOMEG-SWLSCSKDSA-N 0 0 320.393 2.885 50 5 DFBARN C[C@@H]1CCCC[C@@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000012739509 425736627 /nfs/dbraw/zinc/73/66/27/425736627.db2.gz VOBDOXZUMVOMEG-DOMZBBRYSA-N 0 0 320.393 2.885 50 5 DFBARN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000009367133 425688379 /nfs/dbraw/zinc/68/83/79/425688379.db2.gz 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/nfs/dbraw/zinc/78/32/70/425783270.db2.gz QOUDKTJKBLWWRW-AWEZNQCLSA-N 0 0 312.373 2.873 50 5 DFBARN CN(C)c1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000020897869 425795350 /nfs/dbraw/zinc/79/53/50/425795350.db2.gz GFXAARKCVKPNHA-UHFFFAOYSA-N 0 0 311.301 2.773 50 5 DFBARN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000025464439 425805106 /nfs/dbraw/zinc/80/51/06/425805106.db2.gz WMEMCMHDIDEQRC-MRVPVSSYSA-N 0 0 300.274 2.555 50 5 DFBARN Cc1cn2nc(N(C)Cc3ccccc3[N+](=O)[O-])sc2n1 ZINC000025495852 425805473 /nfs/dbraw/zinc/80/54/73/425805473.db2.gz MTOPSEHMECKXGM-UHFFFAOYSA-N 0 0 303.347 2.644 50 5 DFBARN CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000013768231 425761790 /nfs/dbraw/zinc/76/17/90/425761790.db2.gz ZNYAEDLRANXLOJ-PHIMTYICSA-N 0 0 322.413 2.517 50 5 DFBARN Cc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000031701942 425835815 /nfs/dbraw/zinc/83/58/15/425835815.db2.gz QABHTTGHWUUGGZ-MRVPVSSYSA-N 0 0 306.240 2.809 50 5 DFBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCCCC1 ZINC000048637961 425876286 /nfs/dbraw/zinc/87/62/86/425876286.db2.gz RVHNEKJSNCSDSF-UHFFFAOYSA-N 0 0 319.361 2.762 50 5 DFBARN C[C@@H](OC[C@H]1CCCCO1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000071795773 425989344 /nfs/dbraw/zinc/98/93/44/425989344.db2.gz WKERCXADUMPRTR-IUODEOHRSA-N 0 0 322.361 2.532 50 5 DFBARN CCCN(C[C@H]1CCCCO1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000071883586 425998931 /nfs/dbraw/zinc/99/89/31/425998931.db2.gz NHYCZVDISHUBHN-CQSZACIVSA-N 0 0 310.398 2.647 50 5 DFBARN CC[C@H](Nc1c([N+](=O)[O-])ncn1C)c1nc2ccccc2[nH]1 ZINC000075138137 426064666 /nfs/dbraw/zinc/06/46/66/426064666.db2.gz MWWCCAKRMRGHGA-VIFPVBQESA-N 0 0 300.322 2.768 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000162490088 426066495 /nfs/dbraw/zinc/06/64/95/426066495.db2.gz LIOFEBNSQGOULV-LLVKDONJSA-N 0 0 307.350 2.982 50 5 DFBARN Cc1cc([C@](C)(O)CNc2ncc([N+](=O)[O-])cc2C)c(C)o1 ZINC000076063275 426095856 /nfs/dbraw/zinc/09/58/56/426095856.db2.gz 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O=[N+]([O-])c1cc(Cl)ccc1NCCc1nnc2n1CCCC2 ZINC000225560863 426606056 /nfs/dbraw/zinc/60/60/56/426606056.db2.gz UARBKRZQAWIECQ-UHFFFAOYSA-N 0 0 321.768 2.831 50 5 DFBARN Cc1noc([C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000269422946 427192936 /nfs/dbraw/zinc/19/29/36/427192936.db2.gz ZUPCUNYFEMPAOZ-SECBINFHSA-N 0 0 323.740 2.719 50 5 DFBARN O=[N+]([O-])c1cn(C[C@H](O)C2CCCCC2)nc1-c1ccncc1 ZINC000191350292 427325778 /nfs/dbraw/zinc/32/57/78/427325778.db2.gz WFIMKSUIHKLMAC-HNNXBMFYSA-N 0 0 316.361 2.795 50 5 DFBARN COc1cccc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000185559720 427670546 /nfs/dbraw/zinc/67/05/46/427670546.db2.gz JZZSTXNLNHOWBP-OCCSQVGLSA-N 0 0 316.361 2.887 50 5 DFBARN O=[N+]([O-])c1c(F)cccc1NCc1cccnc1-n1cccn1 ZINC000301550594 427804359 /nfs/dbraw/zinc/80/43/59/427804359.db2.gz VEZDNWLUCKLGIM-UHFFFAOYSA-N 0 0 313.292 2.927 50 5 DFBARN CCC[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCC1 ZINC000413449989 428052002 /nfs/dbraw/zinc/05/20/02/428052002.db2.gz 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CO[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000072291390 398615242 /nfs/dbraw/zinc/61/52/42/398615242.db2.gz FIKIPIFZAFULKN-MRXNPFEDSA-N 0 0 312.325 2.872 50 5 DFBARN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccsc2)c1 ZINC000146956030 186038430 /nfs/dbraw/zinc/03/84/30/186038430.db2.gz WAQFGRINERMASN-UHFFFAOYSA-N 0 0 306.343 2.637 50 5 DFBARN CC(C)c1ncc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000280026277 215320287 /nfs/dbraw/zinc/32/02/87/215320287.db2.gz VCGFEGRYRVVIAL-UHFFFAOYSA-N 0 0 316.317 2.526 50 5 DFBARN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000097095523 398663851 /nfs/dbraw/zinc/66/38/51/398663851.db2.gz PUOZPFAOJNSRAO-SMDDNHRTSA-N 0 0 324.764 2.889 50 5 DFBARN COc1ncnc(Sc2ccc(Cl)cc2[N+](=O)[O-])c1N ZINC000000340959 180761652 /nfs/dbraw/zinc/76/16/52/180761652.db2.gz WZDFSINRNAZLQQ-UHFFFAOYSA-N 0 0 312.738 2.780 50 5 DFBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000000371478 180769264 /nfs/dbraw/zinc/76/92/64/180769264.db2.gz 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426427270 /nfs/dbraw/zinc/42/72/70/426427270.db2.gz DXQFTAFPSHOEDH-UHFFFAOYSA-N 0 0 306.753 2.503 50 5 DFBARN Cc1cnc(OCc2nc(-c3ccco3)no2)c([N+](=O)[O-])c1 ZINC000096451064 426428949 /nfs/dbraw/zinc/42/89/49/426428949.db2.gz OVFONDQESCJHMF-UHFFFAOYSA-N 0 0 302.246 2.520 50 5 DFBARN CCc1noc(CC)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000096475310 426432078 /nfs/dbraw/zinc/43/20/78/426432078.db2.gz WPKGMTBLNHPUNF-UHFFFAOYSA-N 0 0 318.333 2.592 50 5 DFBARN Cc1cc(NC(=O)NC[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000097049346 426443695 /nfs/dbraw/zinc/44/36/95/426443695.db2.gz RTRSHXSIRKZUBE-OAHLLOKOSA-N 0 0 315.329 2.758 50 5 DFBARN CCc1cnc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000097050649 426444188 /nfs/dbraw/zinc/44/41/88/426444188.db2.gz VYJVWEACUMYMDJ-MRVPVSSYSA-N 0 0 320.374 2.687 50 5 DFBARN Cc1cc(C)cc([C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)c1 ZINC000097108016 426449516 /nfs/dbraw/zinc/44/95/16/426449516.db2.gz HQVIXLRWAGDYMX-LBPRGKRZSA-N 0 0 314.345 2.564 50 5 DFBARN Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000097142438 426453395 /nfs/dbraw/zinc/45/33/95/426453395.db2.gz QBAOMWNSAOIUPX-CMPLNLGQSA-N 0 0 315.329 2.815 50 5 DFBARN Cc1cc(NC(=O)NC[C@](C)(O)c2ccco2)ccc1[N+](=O)[O-] ZINC000097163035 426455834 /nfs/dbraw/zinc/45/58/34/426455834.db2.gz HIAWBQIJBGUVEA-HNNXBMFYSA-N 0 0 319.317 2.525 50 5 DFBARN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc(F)cc(F)c1)CC2 ZINC000225464195 426600667 /nfs/dbraw/zinc/60/06/67/426600667.db2.gz KRSCVJORXYRNKD-UHFFFAOYSA-N 0 0 305.284 2.826 50 5 DFBARN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000225545222 426605723 /nfs/dbraw/zinc/60/57/23/426605723.db2.gz FRWKLUWCIWBZPR-SNVBAGLBSA-N 0 0 323.780 2.979 50 5 DFBARN COc1cc(F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000225542362 426605806 /nfs/dbraw/zinc/60/58/06/426605806.db2.gz ILBOQLLYORMJQT-UHFFFAOYSA-N 0 0 305.265 2.577 50 5 DFBARN Cc1cccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000226863019 426623803 /nfs/dbraw/zinc/62/38/03/426623803.db2.gz 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O=C(Nc1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000000373659 425557977 /nfs/dbraw/zinc/55/79/77/425557977.db2.gz OWKGUWIVOYDNTN-UHFFFAOYSA-N 0 0 300.299 2.852 50 5 DFBARN O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@@H](c2cccc(F)c2)N1 ZINC000000460357 425562523 /nfs/dbraw/zinc/56/25/23/425562523.db2.gz LWXZMAJWWGKMNT-CQSZACIVSA-N 0 0 313.288 2.825 50 5 DFBARN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000003164530 425610567 /nfs/dbraw/zinc/61/05/67/425610567.db2.gz ZZFBZMVSRXMCKI-UHFFFAOYSA-N 0 0 317.257 2.764 50 5 DFBARN CCCCOC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000003107691 425610631 /nfs/dbraw/zinc/61/06/31/425610631.db2.gz GSOYXPORMCAKFU-LLVKDONJSA-N 0 0 309.318 2.792 50 5 DFBARN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000000611566 425568804 /nfs/dbraw/zinc/56/88/04/425568804.db2.gz YSDRBXJQQGHSEX-UHFFFAOYSA-N 0 0 314.297 2.942 50 5 DFBARN COc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1 ZINC000001401612 425579792 /nfs/dbraw/zinc/57/97/92/425579792.db2.gz 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ZINC000000255449 425550310 /nfs/dbraw/zinc/55/03/10/425550310.db2.gz NNLGAQFWMBZVHH-UHFFFAOYSA-N 0 0 314.297 2.942 50 5 DFBARN COc1cc(NC(=O)CN2CCCC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000007486592 425645232 /nfs/dbraw/zinc/64/52/32/425645232.db2.gz GSAWCAVIHFXXOC-LBPRGKRZSA-N 0 0 321.377 2.725 50 5 DFBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000008072875 425659107 /nfs/dbraw/zinc/65/91/07/425659107.db2.gz FHDGZAZMQQTRPD-SNVBAGLBSA-N 0 0 306.343 2.740 50 5 DFBARN CS(=O)(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000008055724 425659411 /nfs/dbraw/zinc/65/94/11/425659411.db2.gz ABLUATAGTNWCAX-UHFFFAOYSA-N 0 0 320.370 2.653 50 5 DFBARN CCC[C@@H](C)NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008937253 425679574 /nfs/dbraw/zinc/67/95/74/425679574.db2.gz VVXKXLJVMZNCAB-BRAIEQGRSA-N 0 0 306.318 2.642 50 5 DFBARN O=[N+]([O-])c1c(NCCOc2ccccc2)nc2sccn21 ZINC000008337011 425667325 /nfs/dbraw/zinc/66/73/25/425667325.db2.gz AQGSGZJJVKIXDD-UHFFFAOYSA-N 0 0 304.331 2.795 50 5 DFBARN CCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008780268 425676425 /nfs/dbraw/zinc/67/64/25/425676425.db2.gz AGDLBWLMBOBHSJ-UHFFFAOYSA-N 0 0 305.378 2.728 50 5 DFBARN O=C(COC(=O)CC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003363424 425615543 /nfs/dbraw/zinc/61/55/43/425615543.db2.gz LKMMTWGJASKNOO-UHFFFAOYSA-N 0 0 324.308 2.796 50 5 DFBARN Nc1c(Br)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000004245006 425619234 /nfs/dbraw/zinc/61/92/34/425619234.db2.gz YIPBAKXAGVSSDF-UHFFFAOYSA-N 0 0 301.018 2.838 50 5 DFBARN CCCCC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000004983894 425620701 /nfs/dbraw/zinc/62/07/01/425620701.db2.gz HPYDKCXBJJOXBV-UHFFFAOYSA-N 0 0 323.368 2.881 50 5 DFBARN O=C1NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000004702373 425621142 /nfs/dbraw/zinc/62/11/42/425621142.db2.gz UGXBYMYVVVXHPD-GXDHUFHOSA-N 0 0 309.281 2.692 50 5 DFBARN CCC(CC)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004700898 425621303 /nfs/dbraw/zinc/62/13/03/425621303.db2.gz JHHMREOUQZWGPN-UHFFFAOYSA-N 0 0 305.378 2.680 50 5 DFBARN CCN1c2ccccc2N2C1=NC(=O)/C2=C\c1ccc([N+](=O)[O-])o1 ZINC000004702183 425621336 /nfs/dbraw/zinc/62/13/36/425621336.db2.gz UUGSGLXVFBYNRO-UKTHLTGXSA-N 0 0 324.296 2.771 50 5 DFBARN Cc1ccc(Cl)cc1N1CCN(c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000006401143 425628141 /nfs/dbraw/zinc/62/81/41/425628141.db2.gz ANKVIPZKCQHHLZ-UHFFFAOYSA-N 0 0 321.768 2.606 50 5 DFBARN Cc1cc(C(=O)OCC(=O)N(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000007000647 425633789 /nfs/dbraw/zinc/63/37/89/425633789.db2.gz BEVPXMRYQPKMKO-UHFFFAOYSA-N 0 0 322.361 2.705 50 5 DFBARN COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000007052645 425634550 /nfs/dbraw/zinc/63/45/50/425634550.db2.gz PUHCVEOCDZPNKF-UHFFFAOYSA-N 0 0 322.342 2.713 50 5 DFBARN COc1ccc(C(=O)Nc2ccc(C)cc2O)cc1[N+](=O)[O-] ZINC000009479147 425689812 /nfs/dbraw/zinc/68/98/12/425689812.db2.gz QBEPQRDUHMGEQI-UHFFFAOYSA-N 0 0 302.286 2.870 50 5 DFBARN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000009913937 425696552 /nfs/dbraw/zinc/69/65/52/425696552.db2.gz GGGVKDIWIDYXIF-LLVKDONJSA-N 0 0 324.340 2.891 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(C)c1O ZINC000011711813 425712670 /nfs/dbraw/zinc/71/26/70/425712670.db2.gz LVCFQXRWRXKRHW-UHFFFAOYSA-N 0 0 317.297 2.974 50 5 DFBARN Cc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014224931 425768654 /nfs/dbraw/zinc/76/86/54/425768654.db2.gz MEDDUKVCWLUKDB-UHFFFAOYSA-N 0 0 310.306 2.843 50 5 DFBARN Cc1cnc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000025829523 425808543 /nfs/dbraw/zinc/80/85/43/425808543.db2.gz LVGHAUNBXRJBOO-NSHDSACASA-N 0 0 300.318 2.526 50 5 DFBARN Cc1noc(C)c1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000046406320 425864921 /nfs/dbraw/zinc/86/49/21/425864921.db2.gz GDKLSFIVUAGBDR-UHFFFAOYSA-N 0 0 303.318 2.780 50 5 DFBARN CN(Cc1nc2ccccc2[nH]1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000046478864 425865328 /nfs/dbraw/zinc/86/53/28/425865328.db2.gz SEHCMNBBQUVHOF-UHFFFAOYSA-N 0 0 322.328 2.755 50 5 DFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2c(=O)o1 ZINC000033589139 425842331 /nfs/dbraw/zinc/84/23/31/425842331.db2.gz VPTOFFXQDCHUES-UHFFFAOYSA-N 0 0 310.265 2.954 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1[C@H](C)NC(=O)[C@@H](C)OCC1CC1 ZINC000071830666 425993172 /nfs/dbraw/zinc/99/31/72/425993172.db2.gz KCIHECUTHOOUNT-WDEREUQCSA-N 0 0 322.361 2.596 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000071864479 425996129 /nfs/dbraw/zinc/99/61/29/425996129.db2.gz MNAAPQLWAKMBFX-UHFFFAOYSA-N 0 0 321.377 2.960 50 5 DFBARN Cc1cc(C)cc([C@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000069697007 425953412 /nfs/dbraw/zinc/95/34/12/425953412.db2.gz BQDQNYDGHLXTJL-ZDUSSCGKSA-N 0 0 316.361 2.676 50 5 DFBARN CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000069869809 425961740 /nfs/dbraw/zinc/96/17/40/425961740.db2.gz BROZVHMHXYLPAG-SECBINFHSA-N 0 0 320.798 2.508 50 5 DFBARN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000070909040 425978449 /nfs/dbraw/zinc/97/84/49/425978449.db2.gz BCTLHXGCWKRLCY-CYBMUJFWSA-N 0 0 314.341 2.721 50 5 DFBARN Nc1nc(NCC2(c3ccccc3)CCCC2)ncc1[N+](=O)[O-] ZINC000071951265 426006795 /nfs/dbraw/zinc/00/67/95/426006795.db2.gz CDVKWHDXGPQIOX-UHFFFAOYSA-N 0 0 313.361 2.891 50 5 DFBARN CC(C)Cn1ccnc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000078336744 426165754 /nfs/dbraw/zinc/16/57/54/426165754.db2.gz KOCMNSRRDNKUSM-UHFFFAOYSA-N 0 0 320.378 2.769 50 5 DFBARN CC[C@@H](C)NC(=O)c1cc(Oc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000086012747 426255139 /nfs/dbraw/zinc/25/51/39/426255139.db2.gz OAIUSOQWOQVWHP-SNVBAGLBSA-N 0 0 318.333 2.649 50 5 DFBARN O=[N+]([O-])c1ccnn1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000089793880 426308647 /nfs/dbraw/zinc/30/86/47/426308647.db2.gz LGEJHXWFVKXVMX-UHFFFAOYSA-N 0 0 305.681 2.543 50 5 DFBARN CC(C)O[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000095944394 426376062 /nfs/dbraw/zinc/37/60/62/426376062.db2.gz LPHHUWIWQRLEJS-CABCVRRESA-N 0 0 320.389 2.846 50 5 DFBARN CS[C@H]1CC[C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000095990197 426385157 /nfs/dbraw/zinc/38/51/57/426385157.db2.gz HIYQQSZQPANSQN-SFYZADRCSA-N 0 0 316.329 2.887 50 5 DFBARN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnsn1 ZINC000095997562 426385812 /nfs/dbraw/zinc/38/58/12/426385812.db2.gz FTQCPDRSSFQAHP-UHFFFAOYSA-N 0 0 318.236 2.717 50 5 DFBARN CN(CCn1cccn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000097084144 426447371 /nfs/dbraw/zinc/44/73/71/426447371.db2.gz JYHPGAQBHHNUBB-UHFFFAOYSA-N 0 0 323.740 2.609 50 5 DFBARN Cc1cc(=O)n(Cc2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC000096474507 426432419 /nfs/dbraw/zinc/43/24/19/426432419.db2.gz BJVSENASTZMTRZ-UHFFFAOYSA-N 0 0 317.326 2.830 50 5 DFBARN Cc1ccc(CNc2cc(C(=O)N(C)C)ccn2)cc1[N+](=O)[O-] ZINC000097102119 426448073 /nfs/dbraw/zinc/44/80/73/426448073.db2.gz QHDOYELERBEDKY-UHFFFAOYSA-N 0 0 314.345 2.612 50 5 DFBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC1(O)CCCC1 ZINC000097145764 426453592 /nfs/dbraw/zinc/45/35/92/426453592.db2.gz IWGUQQAKJKGMGV-UHFFFAOYSA-N 0 0 321.377 2.980 50 5 DFBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccnc(C)n1 ZINC000097145744 426453926 /nfs/dbraw/zinc/45/39/26/426453926.db2.gz LNAXLDZCWZZIKL-UHFFFAOYSA-N 0 0 315.333 2.632 50 5 DFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCOC1)C1CC1 ZINC000097259104 426461692 /nfs/dbraw/zinc/46/16/92/426461692.db2.gz MZKQAAQMGDXWRE-HJHHMULASA-N 0 0 316.357 2.636 50 5 DFBARN COC(=O)c1ccc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000097756997 426474630 /nfs/dbraw/zinc/47/46/30/426474630.db2.gz IGXVZOSCBHZDHZ-UHFFFAOYSA-N 0 0 315.281 2.835 50 5 DFBARN CC/C=C/CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000186268438 426498672 /nfs/dbraw/zinc/49/86/72/426498672.db2.gz SYNKLHLQAFFGJZ-ONEGZZNKSA-N 0 0 301.140 2.875 50 5 DFBARN C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000225727986 426609739 /nfs/dbraw/zinc/60/97/39/426609739.db2.gz KQTJIJUTSSGTBU-KBPBESRZSA-N 0 0 308.378 2.599 50 5 DFBARN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000225728015 426610191 /nfs/dbraw/zinc/61/01/91/426610191.db2.gz KQTJIJUTSSGTBU-KGLIPLIRSA-N 0 0 308.378 2.599 50 5 DFBARN C[C@H]1CCN(c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000229744732 426639793 /nfs/dbraw/zinc/63/97/93/426639793.db2.gz URSBIBRCOIVBEW-QWRGUYRKSA-N 0 0 312.391 2.623 50 5 DFBARN CCn1cc(C2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cn1 ZINC000266832784 426785566 /nfs/dbraw/zinc/78/55/66/426785566.db2.gz IOFFBTFTCREZMO-UHFFFAOYSA-N 0 0 315.377 2.899 50 5 DFBARN O=c1ccc(F)cn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190753211 427173454 /nfs/dbraw/zinc/17/34/54/427173454.db2.gz VAMWETUFRRSLCT-UHFFFAOYSA-N 0 0 315.260 2.599 50 5 DFBARN CO[C@@H](C)c1nsc(NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000252500338 427182593 /nfs/dbraw/zinc/18/25/93/427182593.db2.gz SSNCJUUFEGYTOL-VIFPVBQESA-N 0 0 323.378 2.678 50 5 DFBARN CNC(=O)COc1cccc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000253416915 427206701 /nfs/dbraw/zinc/20/67/01/427206701.db2.gz OWYONNAXEJNIOG-UHFFFAOYSA-N 0 0 302.286 2.512 50 5 DFBARN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000253426408 427209159 /nfs/dbraw/zinc/20/91/59/427209159.db2.gz OEJDBCAIJIXZJF-COMQUAJESA-N 0 0 305.378 2.756 50 5 DFBARN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000185599142 427676163 /nfs/dbraw/zinc/67/61/63/427676163.db2.gz WQTTWOBBWMPPHC-NJZAAPMLSA-N 0 0 321.377 2.567 50 5 DFBARN CCOC(=O)c1cc2ccc(=O)c3c(C)oc(C)c3c2oc1=O ZINC000012296829 276297905 /nfs/dbraw/zinc/29/79/05/276297905.db2.gz NYNNOJKBOCZRFQ-UHFFFAOYSA-N 0 0 314.293 2.693 50 5 DFBARN CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001782104 276457091 /nfs/dbraw/zinc/45/70/91/276457091.db2.gz RVOCVQIHHGGTLS-LLVKDONJSA-N 0 0 307.306 2.908 50 5 DFBARN CC(C)(C)OC(=O)N1CC2(C1)CNc1c2cccc1[N+](=O)[O-] ZINC000536952689 430172026 /nfs/dbraw/zinc/17/20/26/430172026.db2.gz DWYAOHSXDMKXKZ-UHFFFAOYSA-N 0 0 305.334 2.509 50 5 DFBARN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCS1 ZINC000095966491 278446347 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CCOc1cc(CS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000390835519 323343584 /nfs/dbraw/zinc/34/35/84/323343584.db2.gz PFAMZSYCJCTACM-UHFFFAOYSA-N 0 0 321.354 2.967 50 5 DFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@H](C)C1CC1)C1CC1 ZINC000030337043 331619699 /nfs/dbraw/zinc/61/96/99/331619699.db2.gz QNXDHKOLHCKTNF-LLVKDONJSA-N 0 0 324.402 2.855 50 5 DFBARN CNC(=O)c1ccc(N2CCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000225713785 290627063 /nfs/dbraw/zinc/62/70/63/290627063.db2.gz XJZOITIBEKGTAI-UHFFFAOYSA-N 0 0 303.362 2.867 50 5 DFBARN COC(=O)CCCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000003057416 398347321 /nfs/dbraw/zinc/34/73/21/398347321.db2.gz MCNQUPPAALBVLJ-UHFFFAOYSA-N 0 0 324.333 2.554 50 5 DFBARN COC(=O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000004845855 398349749 /nfs/dbraw/zinc/34/97/49/398349749.db2.gz GNIFJBHOASPOMF-CYBMUJFWSA-N 0 0 306.318 2.513 50 5 DFBARN Cc1nnc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000011577522 398383029 /nfs/dbraw/zinc/38/30/29/398383029.db2.gz 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/nfs/dbraw/zinc/80/10/29/425801029.db2.gz MELBGYDNFWNGEK-UHFFFAOYSA-N 0 0 312.329 2.842 50 5 DFBARN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000025093507 425801884 /nfs/dbraw/zinc/80/18/84/425801884.db2.gz SNUSMPYCSYOEEX-QWHCGFSZSA-N 0 0 308.382 2.512 50 5 DFBARN COCc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000025304453 425802651 /nfs/dbraw/zinc/80/26/51/425802651.db2.gz ZWGCJPULGDXLNV-UHFFFAOYSA-N 0 0 314.341 2.600 50 5 DFBARN COC(=O)C1(NC(=O)c2cccc(C)c2[N+](=O)[O-])CCCCC1 ZINC000025170182 425802717 /nfs/dbraw/zinc/80/27/17/425802717.db2.gz JGPONNKPIZOSBQ-UHFFFAOYSA-N 0 0 320.345 2.509 50 5 DFBARN CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000014021031 425764591 /nfs/dbraw/zinc/76/45/91/425764591.db2.gz HQJWXBGOSLGJAI-UHFFFAOYSA-N 0 0 310.306 2.559 50 5 DFBARN CN(Cc1ccccc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000029502248 425826781 /nfs/dbraw/zinc/82/67/81/425826781.db2.gz CBDHHZFAKMOBRC-UHFFFAOYSA-N 0 0 323.356 2.943 50 5 DFBARN CCN(C1CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000030359767 425830976 /nfs/dbraw/zinc/83/09/76/425830976.db2.gz QMRQFYVWVYIYAT-UHFFFAOYSA-N 0 0 318.782 2.730 50 5 DFBARN Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000031701945 425835785 /nfs/dbraw/zinc/83/57/85/425835785.db2.gz QABHTTGHWUUGGZ-QMMMGPOBSA-N 0 0 306.240 2.809 50 5 DFBARN CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000032933003 425840858 /nfs/dbraw/zinc/84/08/58/425840858.db2.gz CAQZNQCOZPCYPY-ZDUSSCGKSA-N 0 0 317.349 2.847 50 5 DFBARN Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000033028342 425841076 /nfs/dbraw/zinc/84/10/76/425841076.db2.gz XRPYWDCKSHXQCN-WCQYABFASA-N 0 0 303.362 2.829 50 5 DFBARN Cc1cc([N+](=O)[O-])nc2c1NC(=O)c1cccnc1N2C1CC1 ZINC000039026528 425851153 /nfs/dbraw/zinc/85/11/53/425851153.db2.gz ILSADLPHOZPXCQ-UHFFFAOYSA-N 0 0 311.301 2.559 50 5 in-vitro DFBARN O=C(C[C@@H]1C=CCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305779 425874254 /nfs/dbraw/zinc/87/42/54/425874254.db2.gz MAQMMYGQWYQNAN-CQSZACIVSA-N 0 0 315.373 2.600 50 5 DFBARN Cc1sc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000048380416 425875246 /nfs/dbraw/zinc/87/52/46/425875246.db2.gz RXKDTCTUIKWXOM-NSHDSACASA-N 0 0 323.374 2.590 50 5 DFBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1cscn1 ZINC000071799838 425990320 /nfs/dbraw/zinc/99/03/20/425990320.db2.gz CSRXARXWZYBZCB-SNVBAGLBSA-N 0 0 317.370 2.962 50 5 DFBARN Cc1ccc(N(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CCCCC2)nc1 ZINC000071888168 426000043 /nfs/dbraw/zinc/00/00/43/426000043.db2.gz BREOTGBDRONABH-KGLIPLIRSA-N 0 0 303.362 2.721 50 5 DFBARN CCO[C@@H](C)c1noc(COc2ccc(C)cc2[N+](=O)[O-])n1 ZINC000071914710 426004857 /nfs/dbraw/zinc/00/48/57/426004857.db2.gz FHICPTXIIFYVRD-JTQLQIEISA-N 0 0 307.306 2.963 50 5 DFBARN CCS(=O)(=O)C[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000069869815 425961769 /nfs/dbraw/zinc/96/17/69/425961769.db2.gz BROZVHMHXYLPAG-VIFPVBQESA-N 0 0 320.798 2.508 50 5 DFBARN O=C(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCCC1 ZINC000073753031 426031458 /nfs/dbraw/zinc/03/14/58/426031458.db2.gz MNUMQYAZJYZFLO-UHFFFAOYSA-N 0 0 317.267 2.648 50 5 DFBARN Cc1n[nH]c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000075388521 426072098 /nfs/dbraw/zinc/07/20/98/426072098.db2.gz ITHFAMVPANDFBE-ONGXEEELSA-N 0 0 318.333 2.833 50 5 DFBARN COC(=O)c1cc(F)ccc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000075092365 426063075 /nfs/dbraw/zinc/06/30/75/426063075.db2.gz LSHICMTXTZGOGJ-UHFFFAOYSA-N 0 0 320.276 2.803 50 5 DFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cnn(CC(F)F)c1 ZINC000075140300 426064442 /nfs/dbraw/zinc/06/44/42/426064442.db2.gz BHXWZNTUYDPESZ-AATRIKPKSA-N 0 0 322.271 2.708 50 5 DFBARN CS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076064078 426096723 /nfs/dbraw/zinc/09/67/23/426096723.db2.gz SBLCIQSLMZDIPB-UHFFFAOYSA-N 0 0 320.370 2.653 50 5 DFBARN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000075606997 426078482 /nfs/dbraw/zinc/07/84/82/426078482.db2.gz 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426380220 /nfs/dbraw/zinc/38/02/20/426380220.db2.gz IPUJQQLHMUMHPY-OAHLLOKOSA-N 0 0 310.313 2.587 50 5 DFBARN Cc1nn(CCC(=O)Nc2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC000095994612 426384964 /nfs/dbraw/zinc/38/49/64/426384964.db2.gz BWBYHGOGVHCPII-UHFFFAOYSA-N 0 0 306.297 2.576 50 5 DFBARN CCOc1cccc(NC[C@](C)(O)CSC)c1[N+](=O)[O-] ZINC000096011586 426387913 /nfs/dbraw/zinc/38/79/13/426387913.db2.gz MDQGKNJRWCTNMY-ZDUSSCGKSA-N 0 0 300.380 2.519 50 5 DFBARN Cc1c(C(N)=O)nn(C(C)C)c1Oc1ccccc1[N+](=O)[O-] ZINC000096203804 426407960 /nfs/dbraw/zinc/40/79/60/426407960.db2.gz ITSWNVFELNNYJG-UHFFFAOYSA-N 0 0 304.306 2.572 50 5 DFBARN CS[C@H]1CCCC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000096417111 426417966 /nfs/dbraw/zinc/41/79/66/426417966.db2.gz KRGAYQUBBLKZMX-YPMHNXCESA-N 0 0 309.391 2.581 50 5 DFBARN CCS[C@@H]1CCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000096450596 426428897 /nfs/dbraw/zinc/42/88/97/426428897.db2.gz JKYYWMZZQIEFTE-TZMCWYRMSA-N 0 0 308.403 2.928 50 5 DFBARN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000096481076 426433434 /nfs/dbraw/zinc/43/34/34/426433434.db2.gz JLDKKQAJHWEJPT-FZMZJTMJSA-N 0 0 309.391 2.765 50 5 DFBARN Cc1cc(N[C@H](CO)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000097049823 426444302 /nfs/dbraw/zinc/44/43/02/426444302.db2.gz YHHKILWDZRWBJV-AWEZNQCLSA-N 0 0 302.330 2.624 50 5 DFBARN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000097080945 426445705 /nfs/dbraw/zinc/44/57/05/426445705.db2.gz IRBGYQGXIVZZPI-QWHCGFSZSA-N 0 0 312.329 2.915 50 5 DFBARN CCOC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000097095514 426448645 /nfs/dbraw/zinc/44/86/45/426448645.db2.gz CGFWQYZZLXOARB-SNVBAGLBSA-N 0 0 312.753 2.747 50 5 DFBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000097145753 426453645 /nfs/dbraw/zinc/45/36/45/426453645.db2.gz PMDYVEDFVNLATR-OLZOCXBDSA-N 0 0 321.377 2.979 50 5 DFBARN Cc1cc(NC(=O)[C@H]2CCO[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000097142437 426452526 /nfs/dbraw/zinc/45/25/26/426452526.db2.gz QBAOMWNSAOIUPX-PWSUYJOCSA-N 0 0 315.329 2.815 50 5 DFBARN CO[C@@H]1CCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000097145844 426454161 /nfs/dbraw/zinc/45/41/61/426454161.db2.gz RANGKTILZDMNRL-SMDDNHRTSA-N 0 0 307.350 2.901 50 5 DFBARN O=[N+]([O-])c1cnc(N2CCC[C@H]3CCC[C@H]32)nc1NC1CC1 ZINC000230143653 426644420 /nfs/dbraw/zinc/64/44/20/426644420.db2.gz YNJYFUXYEHPFQG-ZYHUDNBSSA-N 0 0 303.366 2.728 50 5 DFBARN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1csc(Cl)n1 ZINC000241587913 426716954 /nfs/dbraw/zinc/71/69/54/426716954.db2.gz OYCFVUKSKAVTPO-UHFFFAOYSA-N 0 0 311.706 2.661 50 5 DFBARN CCCOc1cccc(Cn2cc([N+](=O)[O-])c(C)cc2=O)c1 ZINC000253425631 427208817 /nfs/dbraw/zinc/20/88/17/427208817.db2.gz VKFHAXDAAPMGGK-UHFFFAOYSA-N 0 0 302.330 2.902 50 5 DFBARN COc1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1 ZINC000005335459 274104263 /nfs/dbraw/zinc/10/42/63/274104263.db2.gz GUASBJRXGBKEDO-UHFFFAOYSA-N 0 0 319.320 2.994 50 5 DFBARN COc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000346904 274105279 /nfs/dbraw/zinc/10/52/79/274105279.db2.gz WOOALORAUNALDW-XNTDXEJSSA-N 0 0 324.292 2.948 50 5 DFBARN O=C(Nc1cccc2nsnc21)c1ccc([N+](=O)[O-])cc1 ZINC000000104050 274999688 /nfs/dbraw/zinc/99/96/88/274999688.db2.gz RASNJTILYILMAX-UHFFFAOYSA-N 0 0 300.299 2.852 50 5 DFBARN O=C1c2ccc([N+](=O)[O-])cc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 ZINC000104213194 275031093 /nfs/dbraw/zinc/03/10/93/275031093.db2.gz XLPHVJZAJUVVIT-UHFFFAOYSA-N 0 0 315.197 2.623 50 5 DFBARN CCCn1c(CC)nc([N+](=O)[O-])c1S(=O)(=O)c1ccccc1 ZINC000000481353 276058198 /nfs/dbraw/zinc/05/81/98/276058198.db2.gz OOPQTTHZIVMBFO-UHFFFAOYSA-N 0 0 323.374 2.597 50 5 DFBARN CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1 ZINC000002430155 276696005 /nfs/dbraw/zinc/69/60/05/276696005.db2.gz YINZKYYDKXOCOX-UHFFFAOYSA-N 0 0 322.320 2.707 50 5 DFBARN CC(=O)N(C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-])C1CC1 ZINC000277580991 277974292 /nfs/dbraw/zinc/97/42/92/277974292.db2.gz 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O=Cc1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000001884853 425586086 /nfs/dbraw/zinc/58/60/86/425586086.db2.gz IBMAMOWUKZHZHK-UHFFFAOYSA-N 0 0 316.225 2.535 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002027962 425588988 /nfs/dbraw/zinc/58/89/88/425588988.db2.gz AFTKLRSJXYBWJS-UHFFFAOYSA-N 0 0 317.257 2.764 50 5 DFBARN O=c1oc2cc([N+](=O)[O-])ccc2n1CNc1cccc(F)c1 ZINC000002451262 425592511 /nfs/dbraw/zinc/59/25/11/425592511.db2.gz VMGJKNMKSQZWFE-UHFFFAOYSA-N 0 0 303.249 2.711 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)c1ccccc1 ZINC000007589665 425647687 /nfs/dbraw/zinc/64/76/87/425647687.db2.gz ZQGDLMHESUPITF-UHFFFAOYSA-N 0 0 315.329 2.678 50 5 DFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000008077193 425660040 /nfs/dbraw/zinc/66/00/40/425660040.db2.gz RAKFKVQKOBHLCW-UHFFFAOYSA-N 0 0 303.362 2.723 50 5 DFBARN CNc1snc(C)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000008192581 425662723 /nfs/dbraw/zinc/66/27/23/425662723.db2.gz 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Cc1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000017987979 425788352 /nfs/dbraw/zinc/78/83/52/425788352.db2.gz PFVMRCJKUNJOLH-QKCSRTOESA-N 0 0 300.314 2.605 50 5 DFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccccn1 ZINC000013744694 425759704 /nfs/dbraw/zinc/75/97/04/425759704.db2.gz QHKJNVUPQFXHHA-SNVBAGLBSA-N 0 0 316.317 2.881 50 5 DFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC(=O)Nc2ccccc21 ZINC000013856363 425762668 /nfs/dbraw/zinc/76/26/68/425762668.db2.gz UVDCGVXIKIOCBI-CMDGGOBGSA-N 0 0 323.308 2.593 50 5 DFBARN O=C1OCCN1c1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000046478944 425865432 /nfs/dbraw/zinc/86/54/32/425865432.db2.gz CXUFCBWKKWABNK-UHFFFAOYSA-N 0 0 300.274 2.690 50 5 DFBARN Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000031662143 425835818 /nfs/dbraw/zinc/83/58/18/425835818.db2.gz CUQWFTGYUUQEED-LLVKDONJSA-N 0 0 315.333 2.527 50 5 DFBARN CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000032721981 425839436 /nfs/dbraw/zinc/83/94/36/425839436.db2.gz 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Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)c1ccccc1 ZINC000069844378 425959864 /nfs/dbraw/zinc/95/98/64/425959864.db2.gz SPJNUQXBIFYWPD-UHFFFAOYSA-N 0 0 317.345 2.621 50 5 DFBARN CS(=O)(=O)c1ccc(N(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000069977448 425965500 /nfs/dbraw/zinc/96/55/00/425965500.db2.gz PGJUUPWOMAKQCC-UHFFFAOYSA-N 0 0 324.402 2.625 50 5 DFBARN CCOC(=O)c1cc(N2C[C@@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000075107083 426062978 /nfs/dbraw/zinc/06/29/78/426062978.db2.gz USPLORKZFCQIFM-LLVKDONJSA-N 0 0 322.361 2.775 50 5 DFBARN O=[N+]([O-])c1ccn(Cc2ccc(Br)cc2F)n1 ZINC000071978421 426007379 /nfs/dbraw/zinc/00/73/79/426007379.db2.gz FDDBXGNYZSVCSD-UHFFFAOYSA-N 0 0 300.087 2.741 50 5 DFBARN COc1cc([N+](=O)[O-])ccc1OCC(=O)c1cc(C)[nH]c1C ZINC000072067986 426009461 /nfs/dbraw/zinc/00/94/61/426009461.db2.gz USUGZAWTQDFZIB-UHFFFAOYSA-N 0 0 304.302 2.810 50 5 DFBARN CS[C@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000076018802 426093523 /nfs/dbraw/zinc/09/35/23/426093523.db2.gz 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O=C(NC(=S)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000000454365 425561302 /nfs/dbraw/zinc/56/13/02/425561302.db2.gz APIAXNSUSJPKEK-UHFFFAOYSA-N 0 0 319.317 2.861 50 5 DFBARN COc1cc(C(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000000445638 425561565 /nfs/dbraw/zinc/56/15/65/425561565.db2.gz LTCCUULQQPGRNC-UHFFFAOYSA-N 0 0 308.334 2.628 50 5 DFBARN CCn1ncc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000000476647 425564462 /nfs/dbraw/zinc/56/44/62/425564462.db2.gz QIKBFNFDROQUQO-UHFFFAOYSA-N 0 0 322.752 2.703 50 5 DFBARN O=C1NC(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)S1 ZINC000000987371 425574009 /nfs/dbraw/zinc/57/40/09/425574009.db2.gz OYJHFMMPTCRFCK-XYOKQWHBSA-N 0 0 315.310 2.709 50 5 DFBARN COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1OC ZINC000000999787 425574069 /nfs/dbraw/zinc/57/40/69/425574069.db2.gz YLWBVXGVIGZBCG-QPJJXVBHSA-N 0 0 318.285 2.857 50 5 DFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(C2CC2)s1 ZINC000001055008 425574428 /nfs/dbraw/zinc/57/44/28/425574428.db2.gz 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/nfs/dbraw/zinc/60/33/40/425603340.db2.gz FQJVISPWGYKVFH-QMMMGPOBSA-N 0 0 324.287 2.653 50 5 DFBARN Cc1nn(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000002796481 425604116 /nfs/dbraw/zinc/60/41/16/425604116.db2.gz RRTGFXMXHRDQSK-UHFFFAOYSA-N 0 0 322.752 2.573 50 5 DFBARN Cc1ccc(F)c(NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000002795673 425604222 /nfs/dbraw/zinc/60/42/22/425604222.db2.gz IRVSAPZIBPYGJE-SNVBAGLBSA-N 0 0 306.297 2.514 50 5 DFBARN COC(=O)c1sccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000002872623 425605435 /nfs/dbraw/zinc/60/54/35/425605435.db2.gz ZTOGCPFQGBKKIC-UHFFFAOYSA-N 0 0 320.326 2.624 50 5 DFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000002902060 425607206 /nfs/dbraw/zinc/60/72/06/425607206.db2.gz MBLGXKYNISGKMO-UHFFFAOYSA-N 0 0 305.221 2.894 50 5 DFBARN Cc1ccc(-c2nnnn2-c2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000000257099 425549362 /nfs/dbraw/zinc/54/93/62/425549362.db2.gz BGEYITHCSSPNBT-UHFFFAOYSA-N 0 0 316.708 2.594 50 5 DFBARN O=[N+]([O-])c1ccc([C@H](O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000000262570 425550178 /nfs/dbraw/zinc/55/01/78/425550178.db2.gz RIGXCMFFPZBOET-BDAKNGLRSA-N 0 0 314.552 2.749 50 5 DFBARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000272843 425550312 /nfs/dbraw/zinc/55/03/12/425550312.db2.gz BXKYWLZPCZKQHS-UHFFFAOYSA-N 0 0 320.370 2.806 50 5 DFBARN CNc1ccc(C(=O)Nc2ccc(C)cc2O)cc1[N+](=O)[O-] ZINC000008030422 425658933 /nfs/dbraw/zinc/65/89/33/425658933.db2.gz OMXNBLVZTYARHK-UHFFFAOYSA-N 0 0 301.302 2.903 50 5 DFBARN COC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008401550 425669618 /nfs/dbraw/zinc/66/96/18/425669618.db2.gz NZRDQIDKBVTMRQ-SECBINFHSA-N 0 0 319.269 2.573 50 5 DFBARN CN(Cc1ccco1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000008707312 425672353 /nfs/dbraw/zinc/67/23/53/425672353.db2.gz DOFLRXJYYQPSPR-UHFFFAOYSA-N 0 0 315.329 2.716 50 5 DFBARN COc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000008746577 425675132 /nfs/dbraw/zinc/67/51/32/425675132.db2.gz BSRJWOVOYPVOSJ-UHFFFAOYSA-N 0 0 304.331 2.925 50 5 DFBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1ccccn1 ZINC000004107732 425617529 /nfs/dbraw/zinc/61/75/29/425617529.db2.gz IAYPCSTYXNZESK-UHFFFAOYSA-N 0 0 317.370 2.978 50 5 DFBARN CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000005163886 425622361 /nfs/dbraw/zinc/62/23/61/425622361.db2.gz JFXKQUVPZMIDHL-OUAUKWLOSA-N 0 0 322.413 2.660 50 5 DFBARN CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005077137 425624105 /nfs/dbraw/zinc/62/41/05/425624105.db2.gz IJJVZAHPYTWIBN-UHFFFAOYSA-N 0 0 300.698 2.530 50 5 DFBARN Cc1ccc(O[C@@H](C(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000006976096 425633260 /nfs/dbraw/zinc/63/32/60/425633260.db2.gz YMVFEPYUXLYQLS-CQSZACIVSA-N 0 0 315.329 2.507 50 5 DFBARN COc1ccc(CCOC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000007122480 425636381 /nfs/dbraw/zinc/63/63/81/425636381.db2.gz WDCXUDUWGZVAQD-UHFFFAOYSA-N 0 0 316.313 2.585 50 5 DFBARN CCCn1c(=O)[nH]nc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007364789 425642264 /nfs/dbraw/zinc/64/22/64/425642264.db2.gz UGLNETQVOZXISO-VIFPVBQESA-N 0 0 308.363 2.743 50 5 DFBARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000009671161 425692655 /nfs/dbraw/zinc/69/26/55/425692655.db2.gz PBLTZGOKLODIRG-UHFFFAOYSA-N 0 0 321.720 2.969 50 5 DFBARN COc1cccc2c(=O)c3c(O)c(OC)c(OC)cc3oc12 ZINC000014764110 425775009 /nfs/dbraw/zinc/77/50/09/425775009.db2.gz FFVKXGZKJBHJMS-UHFFFAOYSA-N 0 0 302.282 2.678 50 5 biogenic,in-vitro DFBARN Cc1ccc2nc(CNc3cc([N+](=O)[O-])ccc3C)cc(=O)n2c1 ZINC000015288995 425782238 /nfs/dbraw/zinc/78/22/38/425782238.db2.gz TTZVKCYSIKHNFY-UHFFFAOYSA-N 0 0 324.340 2.832 50 5 DFBARN CSc1ncccc1C(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000024946669 425800029 /nfs/dbraw/zinc/80/00/29/425800029.db2.gz OZHKEHKZLCNEFP-UHFFFAOYSA-N 0 0 317.370 2.984 50 5 DFBARN CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000013759513 425762502 /nfs/dbraw/zinc/76/25/02/425762502.db2.gz JFXKQUVPZMIDHL-MXWKQRLJSA-N 0 0 322.413 2.660 50 5 DFBARN Cc1cc([N+](=O)[O-])cc2c1NC(=O)C2=C1SC(=S)NC1=O ZINC000013881963 425763126 /nfs/dbraw/zinc/76/31/26/425763126.db2.gz ZIBCSELWILQDGM-VQHVLOKHSA-N 0 0 321.339 2.555 50 5 DFBARN CCc1nnc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000014018659 425763694 /nfs/dbraw/zinc/76/36/94/425763694.db2.gz NFFYJFBJZFBKNM-UHFFFAOYSA-N 0 0 324.387 2.983 50 5 DFBARN O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1C[N+]2([O-])CCC1CC2 ZINC000044964062 425859054 /nfs/dbraw/zinc/85/90/54/425859054.db2.gz IQQIWUDYGYXXEA-BGAFOXLKSA-N 0 0 312.413 2.669 50 5 in-vitro DFBARN COc1ccc([N+](=O)[O-])cc1OCc1nnsc1Cl ZINC000027085099 425814657 /nfs/dbraw/zinc/81/46/57/425814657.db2.gz LUBVRAYURUEGJJ-UHFFFAOYSA-N 0 0 301.711 2.687 50 5 DFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000032760463 425839523 /nfs/dbraw/zinc/83/95/23/425839523.db2.gz VGFIJULQTYQAIP-UHFFFAOYSA-N 0 0 322.342 2.541 50 5 DFBARN CCOC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000032815009 425839902 /nfs/dbraw/zinc/83/99/02/425839902.db2.gz PAVKWPBANKLJPB-UHFFFAOYSA-N 0 0 311.313 2.767 50 5 DFBARN O=C(Nc1cccc(Cn2cccn2)c1)c1ccc([N+](=O)[O-])o1 ZINC000032817282 425839958 /nfs/dbraw/zinc/83/99/58/425839958.db2.gz JTPQLQRYLIKJMN-UHFFFAOYSA-N 0 0 312.285 2.685 50 5 DFBARN O=C(NC[C@H](O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000032826221 425840126 /nfs/dbraw/zinc/84/01/26/425840126.db2.gz SZQIIMBWEBRERI-AWEZNQCLSA-N 0 0 319.292 2.589 50 5 DFBARN O=C(NC[C@@H](O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000032826224 425840269 /nfs/dbraw/zinc/84/02/69/425840269.db2.gz SZQIIMBWEBRERI-CQSZACIVSA-N 0 0 319.292 2.589 50 5 DFBARN O=[N+]([O-])c1cnc(NCc2ccccc2F)nc1NC1CC1 ZINC000046584159 425865792 /nfs/dbraw/zinc/86/57/92/425865792.db2.gz XVJPTJZRZNWFEI-UHFFFAOYSA-N 0 0 303.297 2.710 50 5 DFBARN O=C1CN(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000047170676 425868132 /nfs/dbraw/zinc/86/81/32/425868132.db2.gz AKLPYWKTERUSEJ-UHFFFAOYSA-N 0 0 311.297 2.564 50 5 DFBARN O=[N+]([O-])c1ccc(Sc2nnc(N3CCCC3)s2)nc1 ZINC000048894043 425877808 /nfs/dbraw/zinc/87/78/08/425877808.db2.gz MIMVKJVHYPRPMR-UHFFFAOYSA-N 0 0 309.376 2.593 50 5 DFBARN O=[N+]([O-])c1c(F)cccc1N1CCCN(CC(F)(F)F)CC1 ZINC000069414072 425938721 /nfs/dbraw/zinc/93/87/21/425938721.db2.gz QXCFIXWMKALOLE-UHFFFAOYSA-N 0 0 321.274 2.808 50 5 DFBARN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccccc2)nc1NC1CC1 ZINC000071827978 425992186 /nfs/dbraw/zinc/99/21/86/425992186.db2.gz GFUQSWSZTCCBOZ-QWHCGFSZSA-N 0 0 311.345 2.927 50 5 DFBARN Cc1cc(S(=O)(=O)N(C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000071908797 426003693 /nfs/dbraw/zinc/00/36/93/426003693.db2.gz MYXXDOITBKOJQV-UHFFFAOYSA-N 0 0 324.333 2.867 50 5 DFBARN CCn1ccc(=O)nc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000069529934 425945089 /nfs/dbraw/zinc/94/50/89/425945089.db2.gz CEDAZVGACSNYSX-UHFFFAOYSA-N 0 0 309.322 2.603 50 5 DFBARN CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000071920855 426005311 /nfs/dbraw/zinc/00/53/11/426005311.db2.gz ZAZZYDDPKKWKEV-AEJSXWLSSA-N 0 0 322.390 2.554 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CCOC2)C1 ZINC000162669010 426071772 /nfs/dbraw/zinc/07/17/72/426071772.db2.gz NMLMNESJLGLIKQ-HNNXBMFYSA-N 0 0 305.334 2.548 50 5 DFBARN CCn1c2ccccc2nc1[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000162151436 426054223 /nfs/dbraw/zinc/05/42/23/426054223.db2.gz GMACYXHRGYRHNU-SNVBAGLBSA-N 0 0 312.333 2.928 50 5 DFBARN O=[N+]([O-])c1cccnc1N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000075109720 426062873 /nfs/dbraw/zinc/06/28/73/426062873.db2.gz QSFDXOQJQMOFBT-HNNXBMFYSA-N 0 0 317.320 2.831 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000162847411 426080436 /nfs/dbraw/zinc/08/04/36/426080436.db2.gz MPUNJBDKBGXHFN-NSHDSACASA-N 0 0 307.350 2.934 50 5 DFBARN O=[N+]([O-])c1cccc(F)c1Cn1cc(Br)cn1 ZINC000078440784 426170417 /nfs/dbraw/zinc/17/04/17/426170417.db2.gz KLZHWELZASXBQL-UHFFFAOYSA-N 0 0 300.087 2.741 50 5 DFBARN O=c1cc(C2CCC2)ncn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000089704097 426303507 /nfs/dbraw/zinc/30/35/07/426303507.db2.gz YTCHSBYWVDEVEB-UHFFFAOYSA-N 0 0 303.293 2.606 50 5 DFBARN Cc1nnc([C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000089736293 426304772 /nfs/dbraw/zinc/30/47/72/426304772.db2.gz UKWVPEJGBMYGSA-CYBMUJFWSA-N 0 0 318.333 2.502 50 5 DFBARN Cc1cc(NC(=O)N(C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000153782387 426405368 /nfs/dbraw/zinc/40/53/68/426405368.db2.gz QNCNLAUQCRYHFZ-CYBMUJFWSA-N 0 0 307.350 2.936 50 5 DFBARN O=C(OCc1ccc(Oc2cccnc2)cc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000095350489 426366596 /nfs/dbraw/zinc/36/65/96/426366596.db2.gz LTPIEVMVIQGVNX-GJZGRUSLSA-N 0 0 314.297 2.582 50 5 DFBARN COc1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095978712 426381863 /nfs/dbraw/zinc/38/18/63/426381863.db2.gz IEZQMORHTWNIEP-UHFFFAOYSA-N 0 0 321.720 2.928 50 5 DFBARN C[C@]1(CCCO)CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000095982868 426382263 /nfs/dbraw/zinc/38/22/63/426382263.db2.gz QNIVXIFYJKRMOM-OAHLLOKOSA-N 0 0 307.350 2.754 50 5 DFBARN COc1cc(F)c([N+](=O)[O-])c(NCc2nnc(C(C)C)n2C)c1 ZINC000095997047 426386540 /nfs/dbraw/zinc/38/65/40/426386540.db2.gz OAKDSOKOEGRPEC-UHFFFAOYSA-N 0 0 323.328 2.607 50 5 DFBARN Cc1ccnc(NCCCNC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000096406522 426415064 /nfs/dbraw/zinc/41/50/64/426415064.db2.gz BGHHMVCWQFMEHO-UHFFFAOYSA-N 0 0 314.345 2.530 50 5 DFBARN CCS[C@H]1CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000096450534 426428867 /nfs/dbraw/zinc/42/88/67/426428867.db2.gz WHEOKYDBGOPOKL-KBPBESRZSA-N 0 0 308.403 2.928 50 5 DFBARN CCS[C@H]1CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096450515 426428958 /nfs/dbraw/zinc/42/89/58/426428958.db2.gz LTTSQBUCCBYJIJ-KGLIPLIRSA-N 0 0 308.403 2.928 50 5 DFBARN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096454449 426430070 /nfs/dbraw/zinc/43/00/70/426430070.db2.gz DVPQQIRZGNWUBD-QMTHXVAHSA-N 0 0 310.325 2.525 50 5 DFBARN CCc1ccc([C@H]2COCCN2c2ccc([N+](=O)[O-])cn2)o1 ZINC000096453863 426430104 /nfs/dbraw/zinc/43/01/04/426430104.db2.gz OYUWEQPPADSXJP-CYBMUJFWSA-N 0 0 303.318 2.723 50 5 DFBARN CCn1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000096483239 426434241 /nfs/dbraw/zinc/43/42/41/426434241.db2.gz CVPREVGCPNQYMX-UHFFFAOYSA-N 0 0 314.345 2.616 50 5 DFBARN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000097111422 426450694 /nfs/dbraw/zinc/45/06/94/426450694.db2.gz FJLZRCQBIIBZAF-SNVBAGLBSA-N 0 0 315.308 2.627 50 5 DFBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1ccccn1 ZINC000097145789 426454379 /nfs/dbraw/zinc/45/43/79/426454379.db2.gz CVAAZSVWSAMPSI-UHFFFAOYSA-N 0 0 314.345 2.971 50 5 DFBARN Cc1cc(NC(=O)N[C@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000097163040 426456836 /nfs/dbraw/zinc/45/68/36/426456836.db2.gz NUFVHRQSLPLXQE-LLVKDONJSA-N 0 0 307.350 2.840 50 5 DFBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCn1ccnc1 ZINC000097380035 426465321 /nfs/dbraw/zinc/46/53/21/426465321.db2.gz JBFMFCGLDCCBQK-UHFFFAOYSA-N 0 0 317.349 2.620 50 5 DFBARN COc1cc(Cl)c(I)cc1[N+](=O)[O-] ZINC000097756588 426474329 /nfs/dbraw/zinc/47/43/29/426474329.db2.gz QIBRDROGJDZGHT-UHFFFAOYSA-N 0 0 313.478 2.861 50 5 DFBARN COc1ccc(NC=Cc2c([N+](=O)[O-])c(C)nn2C)c(OC)c1 ZINC000100335077 426481974 /nfs/dbraw/zinc/48/19/74/426481974.db2.gz PRFIHCJLLOSDGS-BQYQJAHWSA-N 0 0 318.333 2.737 50 5 DFBARN COc1ccc(NC=Cc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000100334940 426482236 /nfs/dbraw/zinc/48/22/36/426482236.db2.gz QPOQLECRNZUGRZ-VOTSOKGWSA-N 0 0 305.290 2.991 50 5 DFBARN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@]12CCCO2 ZINC000273437763 426664583 /nfs/dbraw/zinc/66/45/83/426664583.db2.gz AOUCAIVOXFBSPO-ARFHVFGLSA-N 0 0 322.361 2.742 50 5 DFBARN Cc1c(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000245344093 426733010 /nfs/dbraw/zinc/73/30/10/426733010.db2.gz XKBMCULFPFPLRP-NWANDNLSSA-N 0 0 318.373 2.789 50 5 DFBARN CN(Cc1csc2ccccc12)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179510110 426798474 /nfs/dbraw/zinc/79/84/74/426798474.db2.gz ZKZDUZLJDWGHCI-UHFFFAOYSA-N 0 0 316.342 2.805 50 5 DFBARN Cc1c(CC(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000252516849 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COc1ccc([C@@H](CO)N(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000071904360 426001892 /nfs/dbraw/zinc/00/18/92/426001892.db2.gz XDPSWKSDAPNCKA-CQSZACIVSA-N 0 0 322.386 2.830 50 5 DFBARN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC2(CCCCC2)CC1 ZINC000069464111 425941776 /nfs/dbraw/zinc/94/17/76/425941776.db2.gz PHGIWZQUKDRTCJ-UHFFFAOYSA-N 0 0 320.393 2.754 50 5 DFBARN CCc1n[nH]cc1C(=O)N(CC)Cc1cccc([N+](=O)[O-])c1 ZINC000069485020 425942047 /nfs/dbraw/zinc/94/20/47/425942047.db2.gz MOUJQJPQTMHVHS-UHFFFAOYSA-N 0 0 302.334 2.543 50 5 DFBARN CCOC(=O)Nc1ccc(Oc2c([N+](=O)[O-])ncn2C)cc1 ZINC000069567248 425947062 /nfs/dbraw/zinc/94/70/62/425947062.db2.gz JAIWLHGJGYVLQH-UHFFFAOYSA-N 0 0 306.278 2.689 50 5 DFBARN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000069775075 425956848 /nfs/dbraw/zinc/95/68/48/425956848.db2.gz BNKJFBRMQBNGRY-UHFFFAOYSA-N 0 0 311.341 2.687 50 5 DFBARN CCc1nc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000069966923 425964009 /nfs/dbraw/zinc/96/40/09/425964009.db2.gz 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426366841 /nfs/dbraw/zinc/36/68/41/426366841.db2.gz ZBMZMTGVVDHYDS-UHFFFAOYSA-N 0 0 319.361 2.550 50 5 DFBARN O=[N+]([O-])c1cnn(C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000095974747 426380678 /nfs/dbraw/zinc/38/06/78/426380678.db2.gz ABKMETTWTPERLJ-NSHDSACASA-N 0 0 301.224 2.544 50 5 DFBARN CCCN(CCC)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000095983432 426382224 /nfs/dbraw/zinc/38/22/24/426382224.db2.gz IUUWYPUORJLTIL-UHFFFAOYSA-N 0 0 308.363 2.862 50 5 DFBARN Cc1cc(C(=O)Nc2nncn2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000095988461 426384417 /nfs/dbraw/zinc/38/44/17/426384417.db2.gz CKHJQOBSPQGJFN-UHFFFAOYSA-N 0 0 323.312 2.736 50 5 DFBARN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000096007648 426386863 /nfs/dbraw/zinc/38/68/63/426386863.db2.gz RHABJYJXIGVMDH-MRVPVSSYSA-N 0 0 318.251 2.979 50 5 DFBARN CC[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000096455214 426430342 /nfs/dbraw/zinc/43/03/42/426430342.db2.gz HFQRNGPTQPNQRV-JSGCOSHPSA-N 0 0 321.377 2.785 50 5 DFBARN CCN(C[C@H]1CCOC1)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000096466607 426431624 /nfs/dbraw/zinc/43/16/24/426431624.db2.gz BWSCSMMSJZIFEA-LLVKDONJSA-N 0 0 310.325 2.541 50 5 DFBARN O=[N+]([O-])c1c(F)cccc1NCc1nnc2n1CCCCC2 ZINC000096482662 426433904 /nfs/dbraw/zinc/43/39/04/426433904.db2.gz MHYDRWDHXHKMPN-UHFFFAOYSA-N 0 0 305.313 2.664 50 5 DFBARN Cc1nc(SCCn2cc([N+](=O)[O-])ccc2=O)sc1C ZINC000096485733 426434682 /nfs/dbraw/zinc/43/46/82/426434682.db2.gz NKFRZJPXGJESLA-UHFFFAOYSA-N 0 0 311.388 2.622 50 5 DFBARN COc1cc(N2CC[C@@H]3OCCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000096489947 426436080 /nfs/dbraw/zinc/43/60/80/426436080.db2.gz TVIYNPJJAWJLBG-YGRLFVJLSA-N 0 0 310.325 2.748 50 5 DFBARN Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c(=O)[nH]1 ZINC000097047027 426443100 /nfs/dbraw/zinc/44/31/00/426443100.db2.gz NQEDLXUYKPZWQE-UHFFFAOYSA-N 0 0 322.704 2.602 50 5 DFBARN Cc1c(CN[C@H](C)c2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000097111408 426450663 /nfs/dbraw/zinc/45/06/63/426450663.db2.gz IGTQFEYTCXVNQQ-GFCCVEGCSA-N 0 0 311.345 2.797 50 5 DFBARN CC(=O)c1ccc(N(C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000097379237 426465614 /nfs/dbraw/zinc/46/56/14/426465614.db2.gz WRFVBPKZGSKRDM-GFCCVEGCSA-N 0 0 304.346 2.803 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100932647 426483584 /nfs/dbraw/zinc/48/35/84/426483584.db2.gz QPBSIWPVMAYYPU-RYUDHWBXSA-N 0 0 320.732 2.925 50 5 DFBARN CC1(C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC000230149514 426643951 /nfs/dbraw/zinc/64/39/51/426643951.db2.gz UBDWHRPPAKTWTH-MGPQQGTHSA-N 0 0 319.361 2.920 50 5 DFBARN CO[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230261482 426646069 /nfs/dbraw/zinc/64/60/69/426646069.db2.gz RGZMTZBNLCTLQX-CQSZACIVSA-N 0 0 312.753 2.889 50 5 DFBARN CC(C)[C@@H](Nc1ncc([N+](=O)[O-])s1)c1nnc2ccccn21 ZINC000241171079 426715176 /nfs/dbraw/zinc/71/51/76/426715176.db2.gz KEAHWVLCHKJQDT-LLVKDONJSA-N 0 0 318.362 2.903 50 5 DFBARN CCc1cc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)nc(C)n1 ZINC000180436253 426859866 /nfs/dbraw/zinc/85/98/66/426859866.db2.gz KMYVQOSXJHETAX-UHFFFAOYSA-N 0 0 317.301 2.835 50 5 DFBARN CC[S@](=O)[C@H]1CCC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000267337319 426875412 /nfs/dbraw/zinc/87/54/12/426875412.db2.gz CUCZCIWFWPSAIC-IDFMNXDXSA-N 0 0 311.407 2.790 50 5 DFBARN Cc1cc(=O)[nH]c([C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000253417257 427204882 /nfs/dbraw/zinc/20/48/82/427204882.db2.gz HLMOCNSNXFTEAZ-GFCCVEGCSA-N 0 0 316.361 2.634 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000253423019 427209404 /nfs/dbraw/zinc/20/94/04/427209404.db2.gz UCMVHVGVKBMJSS-ZDUSSCGKSA-N 0 0 300.318 2.604 50 5 DFBARN CC[C@H]1CCCCN1C(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000185017301 427577201 /nfs/dbraw/zinc/57/72/01/427577201.db2.gz BDSYLSZQKITFSV-NSHDSACASA-N 0 0 310.325 2.904 50 5 DFBARN COc1cccc(NC[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000185171807 427609135 /nfs/dbraw/zinc/60/91/35/427609135.db2.gz NTXQHGCUMVXRCJ-CYBMUJFWSA-N 0 0 306.293 2.888 50 5 DFBARN CC(=O)N[C@H](C)C1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000225460302 277053042 /nfs/dbraw/zinc/05/30/42/277053042.db2.gz CCZCCVPKQCYRAM-GFCCVEGCSA-N 0 0 305.378 2.644 50 5 DFBARN Cc1cc(NC(=O)[C@H](C)Oc2c(C)cc(C)cc2[N+](=O)[O-])no1 ZINC000009365182 280616463 /nfs/dbraw/zinc/61/64/63/280616463.db2.gz RRPKNMUQAAKDON-NSHDSACASA-N 0 0 319.317 2.914 50 5 DFBARN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000096481070 280666192 /nfs/dbraw/zinc/66/61/92/280666192.db2.gz JLDKKQAJHWEJPT-BXUZGUMPSA-N 0 0 309.391 2.765 50 5 DFBARN Cc1nccn1C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153903914 293657600 /nfs/dbraw/zinc/65/76/00/293657600.db2.gz BWKFKHHYAWUIAY-GFCCVEGCSA-N 0 0 321.768 2.817 50 5 DFBARN COc1ccc([C@@H](C[N+](=O)[O-])C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100835214 295213575 /nfs/dbraw/zinc/21/35/75/295213575.db2.gz CBWQGVITGZFHSI-CYBMUJFWSA-N 0 0 319.357 2.630 50 5 DFBARN COc1cccc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000185559736 295305886 /nfs/dbraw/zinc/30/58/86/295305886.db2.gz JZZSTXNLNHOWBP-JSGCOSHPSA-N 0 0 316.361 2.887 50 5 DFBARN CCOC(=O)c1cc(C(=O)N2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000008181470 331505964 /nfs/dbraw/zinc/50/59/64/331505964.db2.gz GTCBEMCBSDLGCX-UHFFFAOYSA-N 0 0 320.345 2.788 50 5 DFBARN O=C(c1cccc([N+](=O)[O-])c1)n1c(=O)oc2cc(Cl)ccc21 ZINC000001507746 398346768 /nfs/dbraw/zinc/34/67/68/398346768.db2.gz YMJXABQBNJLVMP-UHFFFAOYSA-N 0 0 318.672 2.845 50 5 DFBARN C[C@@H]1Sc2ncccc2N(c2ccc([N+](=O)[O-])cn2)C1=O ZINC000005739289 398352421 /nfs/dbraw/zinc/35/24/21/398352421.db2.gz VTIOJSQDPNWWKO-QMMMGPOBSA-N 0 0 302.315 2.544 50 5 DFBARN O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccccn2)n1 ZINC000095397413 185353313 /nfs/dbraw/zinc/35/33/13/185353313.db2.gz CEWFHJSADWTKPZ-UHFFFAOYSA-N 0 0 311.301 2.694 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1[C@H](C)NC(=O)c1cncc(C)c1 ZINC000095403477 185354928 /nfs/dbraw/zinc/35/49/28/185354928.db2.gz 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CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004014288 181062292 /nfs/dbraw/zinc/06/22/92/181062292.db2.gz JZWWZXWIUDOMQV-UHFFFAOYSA-N 0 0 316.273 2.797 50 5 DFBARN CCN(CC)c1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1 ZINC000004306382 181095028 /nfs/dbraw/zinc/09/50/28/181095028.db2.gz MANWDYIWBSBGRW-UHFFFAOYSA-N 0 0 320.328 2.696 50 5 DFBARN Cc1cccc(Nc2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])c1 ZINC000004305959 181095473 /nfs/dbraw/zinc/09/54/73/181095473.db2.gz OPVDKXGYNZMBRV-UHFFFAOYSA-N 0 0 314.349 2.619 50 5 DFBARN O=C(Nc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000004330259 181098666 /nfs/dbraw/zinc/09/86/66/181098666.db2.gz HWFKGCJVIGPRRM-UHFFFAOYSA-N 0 0 310.269 2.897 50 5 DFBARN CCCCOC(=O)c1cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c1 ZINC000004358848 181101894 /nfs/dbraw/zinc/10/18/94/181101894.db2.gz GNLJFUYMSKGSRM-UHFFFAOYSA-N 0 0 311.294 2.526 50 5 DFBARN COc1cccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000004588399 181127791 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Cc1cc2ccccn2c1C(=O)c1ccc(NN)c([N+](=O)[O-])c1 ZINC000005578140 181260022 /nfs/dbraw/zinc/26/00/22/181260022.db2.gz OVNOHJNMSCYNTD-UHFFFAOYSA-N 0 0 310.313 2.673 50 5 DFBARN C[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000005676107 181270692 /nfs/dbraw/zinc/27/06/92/181270692.db2.gz DYHFYNXLBFTXSD-ONGXEEELSA-N 0 0 307.306 2.812 50 5 DFBARN Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000005694687 181273738 /nfs/dbraw/zinc/27/37/38/181273738.db2.gz JSQAVEWJKJGNSC-UHFFFAOYSA-N 0 0 305.721 2.760 50 5 DFBARN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nnc(C)[nH]1 ZINC000075092627 398784943 /nfs/dbraw/zinc/78/49/43/398784943.db2.gz HEYCSWCANWGHTB-NSHDSACASA-N 0 0 323.740 2.556 50 5 DFBARN CC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005864254 181291062 /nfs/dbraw/zinc/29/10/62/181291062.db2.gz LSSHYYMJEMVTAL-UHFFFAOYSA-N 0 0 314.297 2.815 50 5 DFBARN Cc1ccc([N+](=O)[O-])c2c1NC(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000006167738 181317098 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Cc1cccc(C(=O)NCCN(C)c2ccccc2)c1[N+](=O)[O-] ZINC000012596915 181781853 /nfs/dbraw/zinc/78/18/53/181781853.db2.gz HCMXERSXFAXQRH-UHFFFAOYSA-N 0 0 313.357 2.769 50 5 DFBARN C[C@@H]1CCCC[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000012642033 181784822 /nfs/dbraw/zinc/78/48/22/181784822.db2.gz SSXCYYNRGIPZMF-OLZOCXBDSA-N 0 0 320.393 2.885 50 5 DFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000013011794 181823321 /nfs/dbraw/zinc/82/33/21/181823321.db2.gz AQSAYGSFWCVMGU-INIZCTEOSA-N 0 0 312.325 2.809 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(F)c1 ZINC000015271475 181994317 /nfs/dbraw/zinc/99/43/17/181994317.db2.gz RQVXADIHGOZGEU-UHFFFAOYSA-N 0 0 304.277 2.924 50 5 DFBARN Cc1csc2nc(COc3cccc([N+](=O)[O-])c3)cc(=O)n12 ZINC000016209453 182036513 /nfs/dbraw/zinc/03/65/13/182036513.db2.gz KRXMAEWDQWJACK-UHFFFAOYSA-N 0 0 317.326 2.552 50 5 DFBARN O=C1NC(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)S1 ZINC000016672245 182057260 /nfs/dbraw/zinc/05/72/60/182057260.db2.gz 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CC(=O)c1ccc(N[C@@H](C)C(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC000058166064 184083464 /nfs/dbraw/zinc/08/34/64/184083464.db2.gz LJQGCQATCWWSJZ-JTQLQIEISA-N 0 0 319.361 2.657 50 5 DFBARN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](c2ccccc2)O1 ZINC000058282704 184099639 /nfs/dbraw/zinc/09/96/39/184099639.db2.gz SUBDXADFZYXTFU-RISCZKNCSA-N 0 0 316.313 2.790 50 5 DFBARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000060379550 184147757 /nfs/dbraw/zinc/14/77/57/184147757.db2.gz QXNYDNMTJYUTKX-SNVBAGLBSA-N 0 0 316.361 2.712 50 5 DFBARN CCOc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccccc2C1=O ZINC000059451120 184138973 /nfs/dbraw/zinc/13/89/73/184138973.db2.gz DHMIRCIBPRTIDM-UHFFFAOYSA-N 0 0 312.281 2.794 50 5 in-vitro DFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)cc1F ZINC000065712995 184377450 /nfs/dbraw/zinc/37/74/50/184377450.db2.gz RDYSDZCLBBQDTJ-UHFFFAOYSA-N 0 0 312.688 2.531 50 5 DFBARN O=C1[C@H](SC2=NCCS2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067428290 184466104 /nfs/dbraw/zinc/46/61/04/184466104.db2.gz DRHFVEVUDJKGJB-LLVKDONJSA-N 0 0 323.399 2.536 50 5 DFBARN NC(=O)c1cccc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000069559675 184525522 /nfs/dbraw/zinc/52/55/22/184525522.db2.gz OQCKIRNUVTVWIO-UHFFFAOYSA-N 0 0 322.324 2.606 50 5 DFBARN O=c1c2ccccc2c(=O)c2n3c4c(cccc4oc1=2)CCC3 ZINC000004857418 285210596 /nfs/dbraw/zinc/21/05/96/285210596.db2.gz KNOHHYUCLLPNIQ-UHFFFAOYSA-N 0 0 303.317 2.779 50 5 DFBARN Cc1[nH]nc(C(=O)Nc2c(F)cccc2NC2CC2)c1[N+](=O)[O-] ZINC000089522603 257271648 /nfs/dbraw/zinc/27/16/48/257271648.db2.gz VMYDKFJYQQLIOT-UHFFFAOYSA-N 0 0 319.296 2.592 50 5 DFBARN Cc1ccccc1NC(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000408523781 257254910 /nfs/dbraw/zinc/25/49/10/257254910.db2.gz VGLMIOCBKZQHKV-UHFFFAOYSA-N 0 0 315.329 2.933 50 5 DFBARN C[C@H](OC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000240668069 257259747 /nfs/dbraw/zinc/25/97/47/257259747.db2.gz HMDWLQHPEJXKDE-BKDNQFJXSA-N 0 0 301.245 2.557 50 5 DFBARN CC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000466765 257266843 /nfs/dbraw/zinc/26/68/43/257266843.db2.gz JPUADRXMUGTNIW-UHFFFAOYSA-N 0 0 314.297 2.910 50 5 DFBARN O=C(C1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000071911486 184902114 /nfs/dbraw/zinc/90/21/14/184902114.db2.gz VCHZYNLDPJMSLT-CYBMUJFWSA-N 0 0 318.377 2.583 50 5 DFBARN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1CCc1ccccc1 ZINC000052454281 425884512 /nfs/dbraw/zinc/88/45/12/425884512.db2.gz GCJLUYKWZQPKIZ-CQSZACIVSA-N 0 0 300.362 2.930 50 5 DFBARN Cc1cn(C[C@@H](O)Cc2ccc3ccccc3c2)nc1[N+](=O)[O-] ZINC000362330286 158521295 /nfs/dbraw/zinc/52/12/95/158521295.db2.gz PCDOFUZQDVXPQS-INIZCTEOSA-N 0 0 311.341 2.857 50 5 DFBARN CC[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000042102666 287053958 /nfs/dbraw/zinc/05/39/58/287053958.db2.gz NSHXZICZHVUDEB-LLVKDONJSA-N 0 0 312.391 2.625 50 5 DFBARN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCOc2ccc(F)cc21 ZINC000053583104 425888178 /nfs/dbraw/zinc/88/81/78/425888178.db2.gz CFNIUWCNVNVURJ-LLVKDONJSA-N 0 0 306.297 2.793 50 5 DFBARN COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000038865 425531657 /nfs/dbraw/zinc/53/16/57/425531657.db2.gz HNFQMEXZFGNGOQ-UHFFFAOYSA-N 0 0 304.277 2.924 50 5 DFBARN COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000070876 425532925 /nfs/dbraw/zinc/53/29/25/425532925.db2.gz DXIJPQUYRDSLOL-DHDCSXOGSA-N 0 0 324.292 2.948 50 5 DFBARN CC(C)(C)c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000000115127 425537131 /nfs/dbraw/zinc/53/71/31/425537131.db2.gz MNXKGKUODNPQSB-UHFFFAOYSA-N 0 0 320.374 2.985 50 5 DFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)OC12CCCCC2 ZINC000000110181 425537563 /nfs/dbraw/zinc/53/75/63/425537563.db2.gz DJTRUUZNHVGYNS-CYBMUJFWSA-N 0 0 318.329 2.799 50 5 DFBARN Cc1nc([N+](=O)[O-])cn1CCc1noc(-c2ccc(F)cc2)n1 ZINC000000145955 425539770 /nfs/dbraw/zinc/53/97/70/425539770.db2.gz FNACFNUSZXSMDO-UHFFFAOYSA-N 0 0 317.280 2.532 50 5 DFBARN Fc1ccc(Cn2c3ccccc3c3nn4cnnc4nc32)cc1 ZINC000000160038 425540861 /nfs/dbraw/zinc/54/08/61/425540861.db2.gz UYYAGDCZLYYTLV-UHFFFAOYSA-N 0 0 318.315 2.815 50 5 DFBARN COc1cc([C@@H](O)C[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000000174937 425541396 /nfs/dbraw/zinc/54/13/96/425541396.db2.gz ZKWGZYRJLAOUKD-AWEZNQCLSA-N 0 0 303.314 2.584 50 5 DFBARN O=C1Nc2ccccc2N(O)N1c1ccc(F)c([N+](=O)[O-])c1 ZINC000000184488 425542968 /nfs/dbraw/zinc/54/29/68/425542968.db2.gz NKDVKBDWDTYCNJ-UHFFFAOYSA-N 0 0 304.237 2.897 50 5 DFBARN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000183749 425544013 /nfs/dbraw/zinc/54/40/13/425544013.db2.gz GCRZRAYVJVVLMU-UHFFFAOYSA-N 0 0 300.314 2.842 50 5 DFBARN Cc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000000282569 425551298 /nfs/dbraw/zinc/55/12/98/425551298.db2.gz TXLPEAKUNDOIOB-UHFFFAOYSA-N 0 0 301.346 2.818 50 5 DFBARN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000000284754 425551417 /nfs/dbraw/zinc/55/14/17/425551417.db2.gz XBHYSJAMJQTENK-UHFFFAOYSA-N 0 0 300.314 2.876 50 5 DFBARN COc1ccc(CNCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000000293245 425551436 /nfs/dbraw/zinc/55/14/36/425551436.db2.gz USDIOMGBGZMUMJ-UHFFFAOYSA-N 0 0 302.330 2.902 50 5 DFBARN Cc1cc(SCc2ccc([N+](=O)[O-])cc2)n2ncnc2n1 ZINC000000315913 425553430 /nfs/dbraw/zinc/55/34/30/425553430.db2.gz NEJBFRYCTVHKFI-UHFFFAOYSA-N 0 0 301.331 2.633 50 5 DFBARN CN(C)CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003145248 425610349 /nfs/dbraw/zinc/61/03/49/425610349.db2.gz HUUFUWXMKRPLBR-UHFFFAOYSA-N 0 0 315.329 2.887 50 5 DFBARN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000000453128 425562264 /nfs/dbraw/zinc/56/22/64/425562264.db2.gz KIRMNRNDTCSXTL-UHFFFAOYSA-N 0 0 316.313 2.793 50 5 DFBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000000452735 425562368 /nfs/dbraw/zinc/56/23/68/425562368.db2.gz LGUVNFFBVXQGKT-UHFFFAOYSA-N 0 0 319.317 2.861 50 5 DFBARN COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000000461820 425563315 /nfs/dbraw/zinc/56/33/15/425563315.db2.gz UIMKXJFQUVRHNQ-UHFFFAOYSA-N 0 0 316.313 2.793 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1 ZINC000000860116 425572485 /nfs/dbraw/zinc/57/24/85/425572485.db2.gz VCUGCMQTUYCANH-UHFFFAOYSA-N 0 0 304.277 2.924 50 5 DFBARN CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000000884865 425572794 /nfs/dbraw/zinc/57/27/94/425572794.db2.gz STJMTXFSTXRCER-UHFFFAOYSA-N 0 0 303.274 2.789 50 5 DFBARN C[C@@H](C(=O)Nc1nc2ccccc2s1)n1cc([N+](=O)[O-])cn1 ZINC000001423685 425581705 /nfs/dbraw/zinc/58/17/05/425581705.db2.gz NHCXHRYOCXCOCQ-QMMMGPOBSA-N 0 0 317.330 2.601 50 5 DFBARN O=[N+]([O-])c1ccccc1OCCOc1ccccc1[N+](=O)[O-] ZINC000001860418 425586418 /nfs/dbraw/zinc/58/64/18/425586418.db2.gz DEHTVRKGDUCXRF-UHFFFAOYSA-N 0 0 304.258 2.961 50 5 in-vitro DFBARN O=C(Nc1ccccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001909362 425589405 /nfs/dbraw/zinc/58/94/05/425589405.db2.gz NSKJRPCEBOQBNR-UHFFFAOYSA-N 0 0 305.221 2.894 50 5 DFBARN Cc1nn(C[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000002795423 425604156 /nfs/dbraw/zinc/60/41/56/425604156.db2.gz VORJHFFGCXAISS-SECBINFHSA-N 0 0 320.324 2.822 50 5 DFBARN COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000002991599 425606588 /nfs/dbraw/zinc/60/65/88/425606588.db2.gz ZIJNBGMZLGUPOB-UHFFFAOYSA-N 0 0 318.304 2.715 50 5 DFBARN COc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003147800 425609508 /nfs/dbraw/zinc/60/95/08/425609508.db2.gz BISJVMLUVPLYLN-UHFFFAOYSA-N 0 0 314.297 2.815 50 5 DFBARN Cc1c(C(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000000259003 425550061 /nfs/dbraw/zinc/55/00/61/425550061.db2.gz CIWCROPMXVOIPE-UHFFFAOYSA-N 0 0 300.270 2.884 50 5 DFBARN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])no1 ZINC000007821618 425651998 /nfs/dbraw/zinc/65/19/98/425651998.db2.gz CVHQYJUVTIIXHA-SNVBAGLBSA-N 0 0 305.290 2.606 50 5 DFBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)NC1CCCC1 ZINC000007951212 425655868 /nfs/dbraw/zinc/65/58/68/425655868.db2.gz MSVDWVLOVQNAQG-AATRIKPKSA-N 0 0 318.329 2.533 50 5 DFBARN Cn1cnc([N+](=O)[O-])c1NCCOc1ccc2ccccc2c1 ZINC000008375744 425668148 /nfs/dbraw/zinc/66/81/48/425668148.db2.gz QSRCIXJOZHCKOT-UHFFFAOYSA-N 0 0 312.329 2.972 50 5 DFBARN O=C(CN1CCc2cc([N+](=O)[O-])ccc21)Nc1ccccc1F ZINC000008779945 425676208 /nfs/dbraw/zinc/67/62/08/425676208.db2.gz JWECHDGJQUKVHI-UHFFFAOYSA-N 0 0 315.304 2.735 50 5 DFBARN CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)on1 ZINC000008769123 425676271 /nfs/dbraw/zinc/67/62/71/425676271.db2.gz QWXSYBIVFWMEQG-GFCCVEGCSA-N 0 0 305.290 2.687 50 5 DFBARN COc1cc(C=O)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000003208657 425612029 /nfs/dbraw/zinc/61/20/29/425612029.db2.gz KEHJEDWYLZSKRH-UHFFFAOYSA-N 0 0 315.281 2.944 50 5 DFBARN C[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000005672691 425625949 /nfs/dbraw/zinc/62/59/49/425625949.db2.gz DYHFYNXLBFTXSD-KOLCDFICSA-N 0 0 307.306 2.812 50 5 DFBARN O=C(CSc1ncccn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006910787 425631477 /nfs/dbraw/zinc/63/14/77/425631477.db2.gz XAPXMTDDMFMMNN-UHFFFAOYSA-N 0 0 324.749 2.769 50 5 DFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2 ZINC000006948609 425632266 /nfs/dbraw/zinc/63/22/66/425632266.db2.gz DZIMPYXATKUENE-UHFFFAOYSA-N 0 0 301.258 2.968 50 5 DFBARN Cc1cc(S(=O)(=O)N2CCCCCC2)cc([N+](=O)[O-])c1C ZINC000009061835 425680770 /nfs/dbraw/zinc/68/07/70/425680770.db2.gz QGKKQLLBXGSEAB-UHFFFAOYSA-N 0 0 312.391 2.776 50 5 DFBARN CCOC(=O)c1noc(C)c1COc1ccc([N+](=O)[O-])cc1 ZINC000012396701 425725990 /nfs/dbraw/zinc/72/59/90/425725990.db2.gz HFIYXEKCQFCNSI-UHFFFAOYSA-N 0 0 306.274 2.647 50 5 DFBARN O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cccn2)nc1 ZINC000014703399 425774806 /nfs/dbraw/zinc/77/48/06/425774806.db2.gz HZGDKZGZTYVVHJ-UHFFFAOYSA-N 0 0 309.329 2.847 50 5 DFBARN CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000020808039 425794943 /nfs/dbraw/zinc/79/49/43/425794943.db2.gz YJSKZDFNJKBAJJ-UHFFFAOYSA-N 0 0 323.374 2.516 50 5 DFBARN O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)nc1 ZINC000022406233 425797523 /nfs/dbraw/zinc/79/75/23/425797523.db2.gz 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Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)cc1 ZINC000004306217 181095436 /nfs/dbraw/zinc/09/54/36/181095436.db2.gz QJUKNHMGXPXHJO-UHFFFAOYSA-N 0 0 314.349 2.619 50 5 DFBARN O=c1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)[nH]1)CCCC2 ZINC000004317089 181097039 /nfs/dbraw/zinc/09/70/39/181097039.db2.gz WOUKUJYOCWOUCZ-UHFFFAOYSA-N 0 0 317.370 2.849 50 5 DFBARN O=C(NOCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004318212 181097153 /nfs/dbraw/zinc/09/71/53/181097153.db2.gz BTZWXJJKTSFJFK-UHFFFAOYSA-N 0 0 301.302 2.891 50 5 DFBARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004525675 181120395 /nfs/dbraw/zinc/12/03/95/181120395.db2.gz OPDODOOEXOADIZ-MEBBXXQBSA-N 0 0 314.297 2.762 50 5 DFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004506328 181117064 /nfs/dbraw/zinc/11/70/64/181117064.db2.gz UWELNCQEJZBOHT-UHFFFAOYSA-N 0 0 317.257 2.764 50 5 DFBARN Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000004611146 181129493 /nfs/dbraw/zinc/12/94/93/181129493.db2.gz 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193665664 /nfs/dbraw/zinc/66/56/64/193665664.db2.gz CINCMBUGBGAPPG-MEDUHNTESA-N 0 0 317.345 2.841 50 5 DFBARN O=[N+]([O-])c1ccc([C@H](O)CNc2ncnc3sccc32)cc1 ZINC000008147911 181530572 /nfs/dbraw/zinc/53/05/72/181530572.db2.gz ZNKYVZZBNITIKH-GFCCVEGCSA-N 0 0 316.342 2.745 50 5 DFBARN Cn1cnc([N+](=O)[O-])c1Nc1cc(Cl)c(N)c(Cl)c1 ZINC000008317747 181546394 /nfs/dbraw/zinc/54/63/94/181546394.db2.gz PPNMPLMLOSMADZ-UHFFFAOYSA-N 0 0 302.121 2.961 50 5 DFBARN Cc1noc([C@@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])C2)n1 ZINC000264942074 204287202 /nfs/dbraw/zinc/28/72/02/204287202.db2.gz SFIRKPVPFTTZHB-SNVBAGLBSA-N 0 0 306.297 2.809 50 5 DFBARN CCOc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000009114785 181602433 /nfs/dbraw/zinc/60/24/33/181602433.db2.gz OQMCFRFBCHEANU-UHFFFAOYSA-N 0 0 317.301 2.649 50 5 DFBARN O=C(N=c1[nH]c2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009716310 181637402 /nfs/dbraw/zinc/63/74/02/181637402.db2.gz YDWMSHNGFHBIHC-UHFFFAOYSA-N 0 0 316.704 2.799 50 5 DFBARN C[C@@H]1CCCC[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000012739513 181791529 /nfs/dbraw/zinc/79/15/29/181791529.db2.gz VOBDOXZUMVOMEG-IUODEOHRSA-N 0 0 320.393 2.885 50 5 DFBARN CCc1noc(-c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)n1 ZINC000015669952 182011271 /nfs/dbraw/zinc/01/12/71/182011271.db2.gz XFUQRZCLTWEQNP-NSHDSACASA-N 0 0 318.333 2.798 50 5 DFBARN COc1ccccc1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000018234547 182100162 /nfs/dbraw/zinc/10/01/62/182100162.db2.gz GWQGWSDHADAFDV-UHFFFAOYSA-N 0 0 312.325 2.735 50 5 DFBARN CCn1c2ccccc2n(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=N ZINC000019855185 182157312 /nfs/dbraw/zinc/15/73/12/182157312.db2.gz CRNBYYYJSRLMRP-UHFFFAOYSA-N 0 0 324.340 2.733 50 5 DFBARN O=C(Nc1ncc([N+](=O)[O-])s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000071767271 284435517 /nfs/dbraw/zinc/43/55/17/284435517.db2.gz ZSYKCQFLYGSMIQ-UHFFFAOYSA-N 0 0 309.263 2.604 50 5 DFBARN Cc1cc2n(n1)CCCN2C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000020864581 182249916 /nfs/dbraw/zinc/24/99/16/182249916.db2.gz QSABXZHQIZUVGD-UHFFFAOYSA-N 0 0 315.333 2.850 50 5 DFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccccc1 ZINC000020945980 182256321 /nfs/dbraw/zinc/25/63/21/182256321.db2.gz MSDBNGXYEADCDR-MRXNPFEDSA-N 0 0 311.297 2.834 50 5 DFBARN COC(=O)c1occc1COc1cc([N+](=O)[O-])ccc1OC ZINC000024949262 182395867 /nfs/dbraw/zinc/39/58/67/182395867.db2.gz LWRBAFZPFYROJN-UHFFFAOYSA-N 0 0 307.258 2.562 50 5 DFBARN Cc1ccc([C@H](O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000031098436 182606519 /nfs/dbraw/zinc/60/65/19/182606519.db2.gz HBOOUZUZSRSKHN-OAHLLOKOSA-N 0 0 315.329 2.758 50 5 DFBARN O=[N+]([O-])c1ccccc1OCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000040153610 183040644 /nfs/dbraw/zinc/04/06/44/183040644.db2.gz XIXARARHMZHKFX-ZFWWWQNUSA-N 0 0 306.362 2.617 50 5 DFBARN O=C1NC2(CCCCCC2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000041094746 183164393 /nfs/dbraw/zinc/16/43/93/183164393.db2.gz AMKLWBQHLXXVML-UHFFFAOYSA-N 0 0 317.345 2.740 50 5 DFBARN Cc1noc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)n1 ZINC000049027285 183703494 /nfs/dbraw/zinc/70/34/94/183703494.db2.gz UTAJLBUMUUWOHK-UHFFFAOYSA-N 0 0 314.257 2.799 50 5 DFBARN O=C(OCc1nccs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056242474 184007970 /nfs/dbraw/zinc/00/79/70/184007970.db2.gz RXDCGEOWJXKGHU-UHFFFAOYSA-N 0 0 303.299 2.890 50 5 DFBARN CN(CC(=O)Nc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000057455903 184038865 /nfs/dbraw/zinc/03/88/65/184038865.db2.gz GKINTEIOMSKNTE-UHFFFAOYSA-N 0 0 317.320 2.804 50 5 DFBARN CC(C)c1nnc(Sc2nc3ccccn3c2[N+](=O)[O-])n1C ZINC000069350538 184508786 /nfs/dbraw/zinc/50/87/86/184508786.db2.gz NHNGYVKGXGFFKG-UHFFFAOYSA-N 0 0 318.362 2.646 50 5 DFBARN CCc1nc(CCNC(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000069508892 184521022 /nfs/dbraw/zinc/52/10/22/184521022.db2.gz ITDGLGDWTGVLLI-UHFFFAOYSA-N 0 0 319.386 2.895 50 5 DFBARN CCc1nn(C)c(CC)c1CNc1nccc(C)c1[N+](=O)[O-] ZINC000269966934 208020398 /nfs/dbraw/zinc/02/03/98/208020398.db2.gz NKMDZSXXSVGOSQ-UHFFFAOYSA-N 0 0 303.366 2.769 50 5 DFBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(Cn2ccnn2)CC1 ZINC000089768438 285089425 /nfs/dbraw/zinc/08/94/25/285089425.db2.gz TWSILNOFDJBCOY-UHFFFAOYSA-N 0 0 321.768 2.756 50 5 DFBARN O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccco2)S3)cc1 ZINC000003843222 285105582 /nfs/dbraw/zinc/10/55/82/285105582.db2.gz JESZIPPBUBXUPT-LBPRGKRZSA-N 0 0 315.314 2.794 50 5 DFBARN O=[N+]([O-])c1ccc(N2CCCN(c3nccs3)CC2)c(F)c1 ZINC000058158523 285122750 /nfs/dbraw/zinc/12/27/50/285122750.db2.gz BAVZBKUGIKZWAB-UHFFFAOYSA-N 0 0 322.365 2.907 50 5 DFBARN O=c1[nH]c2c3ccc(F)cc3nc(=S)n2nc1-c1ccccc1 ZINC000069982237 285227131 /nfs/dbraw/zinc/22/71/31/285227131.db2.gz TUINLUSGSVXKGW-UHFFFAOYSA-N 0 0 324.340 2.733 50 5 DFBARN CSc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000005425715 542416443 /nfs/dbraw/zinc/41/64/43/542416443.db2.gz HJZBZUPHLFOYNG-LBPRGKRZSA-N 0 0 309.343 2.985 50 5 DFBARN Cc1nn(C)c(NCCOc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC000054837699 542451272 /nfs/dbraw/zinc/45/12/72/542451272.db2.gz OYYWVXKLDKVWEE-UHFFFAOYSA-N 0 0 316.361 2.616 50 5 DFBARN C[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CCCO1 ZINC000521394488 257241047 /nfs/dbraw/zinc/24/10/47/257241047.db2.gz VXXJNAREXONZNW-VIFPVBQESA-N 0 0 315.167 2.973 50 5 DFBARN CC(=O)c1ccc(NCCc2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000408522869 257254802 /nfs/dbraw/zinc/25/48/02/257254802.db2.gz MVCXQOSTPHCLTA-UHFFFAOYSA-N 0 0 302.334 2.792 50 5 DFBARN Cc1ccc([N+](=O)[O-])c(NC2CCN(c3nccn3C)CC2)c1 ZINC000408514646 257255979 /nfs/dbraw/zinc/25/59/79/257255979.db2.gz KSRNHWDRDQCRJJ-UHFFFAOYSA-N 0 0 315.377 2.718 50 5 DFBARN Cc1nc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408513160 257256119 /nfs/dbraw/zinc/25/61/19/257256119.db2.gz NMWPOAXAHOKXHO-GJZGRUSLSA-N 0 0 324.384 2.871 50 5 DFBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccnc(-n2ccnc2)c1 ZINC000124997942 195701064 /nfs/dbraw/zinc/70/10/64/195701064.db2.gz MOHRWEQXSPYRNX-UHFFFAOYSA-N 0 0 324.296 2.533 50 5 DFBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1(N1CCOCC1)O2 ZINC000019706885 296509405 /nfs/dbraw/zinc/50/94/05/296509405.db2.gz FHAYFSMLDULMNT-QGZVFWFLSA-N 0 0 316.357 2.973 50 5 DFBARN CN(C(=O)COc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000171513108 145268904 /nfs/dbraw/zinc/26/89/04/145268904.db2.gz WOOAAIJOQGCZGL-UHFFFAOYSA-N 0 0 322.267 2.915 50 5 DFBARN CCc1cnccc1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354516319 147064461 /nfs/dbraw/zinc/06/44/61/147064461.db2.gz SRLCNJXTAGPVRG-SNVBAGLBSA-N 0 0 314.345 2.625 50 5 DFBARN CC(C)c1ncc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000358443750 148362275 /nfs/dbraw/zinc/36/22/75/148362275.db2.gz LPWRCLOBDXSNHT-UHFFFAOYSA-N 0 0 300.318 2.689 50 5 DFBARN COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])NCC2 ZINC000019300543 286260092 /nfs/dbraw/zinc/26/00/92/286260092.db2.gz SGYIDBQQWKZULO-QGZVFWFLSA-N 0 0 314.341 2.847 50 5 DFBARN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(O)c3)C2)n1 ZINC000089601906 292287268 /nfs/dbraw/zinc/28/72/68/292287268.db2.gz IUVYXZUDHBJTOQ-OAHLLOKOSA-N 0 0 315.329 2.582 50 5 DFBARN COc1ccccc1N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053266299 425887282 /nfs/dbraw/zinc/88/72/82/425887282.db2.gz VAJQZBFQJIPLTH-UHFFFAOYSA-N 0 0 315.329 2.678 50 5 DFBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000054967423 425891630 /nfs/dbraw/zinc/89/16/30/425891630.db2.gz CTIVJPFRQHXZGT-UHFFFAOYSA-N 0 0 307.693 2.904 50 5 DFBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(n2ccnc2)CC1 ZINC000058158529 425897701 /nfs/dbraw/zinc/89/77/01/425897701.db2.gz POJYAHGAJGISGH-UHFFFAOYSA-N 0 0 315.333 2.660 50 5 DFBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cccnc1Cl ZINC000000215077 425546223 /nfs/dbraw/zinc/54/62/23/425546223.db2.gz HBOOCFJYMUUABG-UHFFFAOYSA-N 0 0 323.740 2.567 50 5 DFBARN CC(C)Cc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000000074028 425533305 /nfs/dbraw/zinc/53/33/05/425533305.db2.gz KTFLNKCFKOMTHJ-UHFFFAOYSA-N 0 0 320.374 2.826 50 5 aggregator DFBARN COc1ccc(-c2nc(NC(C)=O)sc2C)cc1[N+](=O)[O-] ZINC000000083755 425534356 /nfs/dbraw/zinc/53/43/56/425534356.db2.gz 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Cc1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000007357315 425641901 /nfs/dbraw/zinc/64/19/01/425641901.db2.gz HQYRYNBBPFYREU-UHFFFAOYSA-N 0 0 321.358 2.595 50 5 DFBARN CCc1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000007357438 425642430 /nfs/dbraw/zinc/64/24/30/425642430.db2.gz NZPXAZFXRZTBTR-UHFFFAOYSA-N 0 0 321.358 2.540 50 5 DFBARN Cc1ccc(C)c(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])c1 ZINC000009130936 425682671 /nfs/dbraw/zinc/68/26/71/425682671.db2.gz AYCHMIRGNOLKSW-UHFFFAOYSA-N 0 0 315.329 2.933 50 5 DFBARN COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000009338523 425685393 /nfs/dbraw/zinc/68/53/93/425685393.db2.gz ILNIBNBRSDEANQ-JTQLQIEISA-N 0 0 301.302 2.950 50 5 DFBARN Cn1cnc([N+](=O)[O-])c1Sc1nnc(NC(C)(C)C)s1 ZINC000009647533 425693278 /nfs/dbraw/zinc/69/32/78/425693278.db2.gz UHHZNYGPOGUENS-UHFFFAOYSA-N 0 0 314.396 2.541 50 5 DFBARN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000009909271 425694270 /nfs/dbraw/zinc/69/42/70/425694270.db2.gz 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O=C(Nc1cccc(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000028026941 425819691 /nfs/dbraw/zinc/81/96/91/425819691.db2.gz BTXWRBQLXPBSPY-UHFFFAOYSA-N 0 0 300.249 2.863 50 5 DFBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)OCO2 ZINC000031929712 425837057 /nfs/dbraw/zinc/83/70/57/425837057.db2.gz BEVRKKBEXDCANQ-UHFFFAOYSA-N 0 0 314.297 2.596 50 5 DFBARN Cc1nn(C)c(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000032675888 425839471 /nfs/dbraw/zinc/83/94/71/425839471.db2.gz YOELGXWDHJGZMC-BQYQJAHWSA-N 0 0 300.318 2.597 50 5 DFBARN O=C(NCc1nc2ccccc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000032797159 425839806 /nfs/dbraw/zinc/83/98/06/425839806.db2.gz YWQSEGUCNXYXRO-UHFFFAOYSA-N 0 0 311.301 2.793 50 5 DFBARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000032932524 425840748 /nfs/dbraw/zinc/84/07/48/425840748.db2.gz XKRKXCPGEHMFKC-STQMWFEESA-N 0 0 320.732 2.881 50 5 DFBARN Nc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000033028343 425841059 /nfs/dbraw/zinc/84/10/59/425841059.db2.gz 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/nfs/dbraw/zinc/07/13/84/426071384.db2.gz NMLMNESJLGLIKQ-OAHLLOKOSA-N 0 0 305.334 2.548 50 5 DFBARN O=[N+]([O-])c1cc(Cl)c(NCCc2nnc[nH]2)c(Cl)c1 ZINC000127042110 426048558 /nfs/dbraw/zinc/04/85/58/426048558.db2.gz FWEWHUOEDFZOGV-UHFFFAOYSA-N 0 0 302.121 2.674 50 5 DFBARN Cn1cnc([N+](=O)[O-])c1COc1ccccc1Br ZINC000075092180 426062341 /nfs/dbraw/zinc/06/23/41/426062341.db2.gz LVESJUJQRUTKMW-UHFFFAOYSA-N 0 0 312.123 2.670 50 5 DFBARN CC(C)Oc1cccc([C@H](O)CNc2ccncc2[N+](=O)[O-])c1 ZINC000072286891 426011677 /nfs/dbraw/zinc/01/16/77/426011677.db2.gz AJGFOJPGUHJCAP-MRXNPFEDSA-N 0 0 317.345 2.923 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000163220134 426093852 /nfs/dbraw/zinc/09/38/52/426093852.db2.gz LWUBPEYHNABLGA-FZMZJTMJSA-N 0 0 307.350 2.576 50 5 DFBARN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)o1 ZINC000076093506 426099635 /nfs/dbraw/zinc/09/96/35/426099635.db2.gz PIPYDFHYRBTFQS-ZDUSSCGKSA-N 0 0 318.329 2.922 50 5 DFBARN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000077141360 426120570 /nfs/dbraw/zinc/12/05/70/426120570.db2.gz OOMSRYAINCACDC-WDEREUQCSA-N 0 0 320.736 2.566 50 5 DFBARN CCc1nc(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000078551807 426175297 /nfs/dbraw/zinc/17/52/97/426175297.db2.gz PSVMNMHMIJWXLN-UHFFFAOYSA-N 0 0 309.322 2.934 50 5 DFBARN CC(C)[C@H](Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000089801905 426309878 /nfs/dbraw/zinc/30/98/78/426309878.db2.gz CUDBRJMIHFEVNF-AWEZNQCLSA-N 0 0 301.350 2.942 50 5 DFBARN CCn1nc(C)cc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000089300378 426285677 /nfs/dbraw/zinc/28/56/77/426285677.db2.gz VKWGUGFZLMRSBG-UHFFFAOYSA-N 0 0 303.318 2.519 50 5 DFBARN Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000095965251 426378439 /nfs/dbraw/zinc/37/84/39/426378439.db2.gz OHAUTOIZTPGDAF-HNNXBMFYSA-N 0 0 318.304 2.506 50 5 DFBARN Cc1cccn2cc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc12 ZINC000096405362 426414677 /nfs/dbraw/zinc/41/46/77/426414677.db2.gz LKACJMHINRPLDD-UHFFFAOYSA-N 0 0 324.340 2.789 50 5 DFBARN Cc1cc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000096402855 426415176 /nfs/dbraw/zinc/41/51/76/426415176.db2.gz MCWPAFYSVHKMIW-ZDUSSCGKSA-N 0 0 314.345 2.646 50 5 DFBARN Cc1cc([N+](=O)[O-])cnc1NCC[S@@](=O)c1ccccc1 ZINC000096408675 426415668 /nfs/dbraw/zinc/41/56/68/426415668.db2.gz SCYHTPISZPECHH-NRFANRHFSA-N 0 0 305.359 2.518 50 5 DFBARN CCO[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000096423439 426420596 /nfs/dbraw/zinc/42/05/96/426420596.db2.gz ATBCIQKYYXHTSK-LSDHHAIUSA-N 0 0 318.373 2.601 50 5 DFBARN Cc1nn(C)c(NC[C@@H](C)c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000096446570 426428063 /nfs/dbraw/zinc/42/80/63/426428063.db2.gz FXIKEMFOOLLGEQ-SECBINFHSA-N 0 0 315.333 2.994 50 5 DFBARN Cc1ccc([C@@H](C)NC(=O)c2ccncc2F)cc1[N+](=O)[O-] ZINC000096454701 426430284 /nfs/dbraw/zinc/43/02/84/426430284.db2.gz CJXWTECMQHCMCR-SNVBAGLBSA-N 0 0 303.293 2.928 50 5 DFBARN O=C(NC[C@@H]1CCCS1)c1cc(Cl)ccc1[N+](=O)[O-] 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O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000004616463 181129771 /nfs/dbraw/zinc/12/97/71/181129771.db2.gz NCIKRZGFPUKLJD-UHFFFAOYSA-N 0 0 314.269 2.674 50 5 DFBARN COc1cc(C=O)ccc1OCCOc1ccccc1[N+](=O)[O-] ZINC000004701767 181139256 /nfs/dbraw/zinc/13/92/56/181139256.db2.gz RVEGKLSDVVQADH-UHFFFAOYSA-N 0 0 317.297 2.874 50 5 DFBARN Cc1ccc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004724957 181143235 /nfs/dbraw/zinc/14/32/35/181143235.db2.gz NGPJQBIOEZKCSC-UHFFFAOYSA-N 0 0 306.343 2.728 50 5 DFBARN Cc1cc(-c2cc(C)c(N)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1N ZINC000004773145 181150714 /nfs/dbraw/zinc/15/07/14/181150714.db2.gz FDCDAEYGQTVYOH-UHFFFAOYSA-N 0 0 302.290 2.951 50 5 DFBARN COc1ccc(C(=O)OCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000004846308 181162643 /nfs/dbraw/zinc/16/26/43/181162643.db2.gz PRYZMQZPLWKPRO-UHFFFAOYSA-N 0 0 306.274 2.565 50 5 DFBARN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000004863353 181165070 /nfs/dbraw/zinc/16/50/70/181165070.db2.gz 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/nfs/dbraw/zinc/59/50/20/425595020.db2.gz UEWFSZGHGXQRQB-XNWCZRBMSA-N 0 0 310.312 2.653 50 5 DFBARN Cc1cc([N+](=O)[O-])nn1Cc1c(F)c(F)c(F)c(F)c1F ZINC000002537795 425595268 /nfs/dbraw/zinc/59/52/68/425595268.db2.gz BOOUZYOQMASAGI-UHFFFAOYSA-N 0 0 307.178 2.844 50 5 DFBARN O=C(Oc1ccc(F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000002534512 425595572 /nfs/dbraw/zinc/59/55/72/425595572.db2.gz IRAWNQIHBNWCIH-UHFFFAOYSA-N 0 0 306.205 2.861 50 5 DFBARN O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002780087 425601714 /nfs/dbraw/zinc/60/17/14/425601714.db2.gz LWQHDJCWULFHBF-UHFFFAOYSA-N 0 0 305.221 2.894 50 5 DFBARN Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccccc1F ZINC000002788190 425604099 /nfs/dbraw/zinc/60/40/99/425604099.db2.gz GGMFEORPSNHJDG-SECBINFHSA-N 0 0 306.297 2.514 50 5 DFBARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000000226646 425546937 /nfs/dbraw/zinc/54/69/37/425546937.db2.gz KXWXZODUCRLBBZ-UHFFFAOYSA-N 0 0 300.270 2.618 50 5 DFBARN C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000008943862 425679234 /nfs/dbraw/zinc/67/92/34/425679234.db2.gz XHMJFJKYYHYPLV-BDJLRTHQSA-N 0 0 317.345 2.596 50 5 DFBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H](CO)C1 ZINC000008177856 425663395 /nfs/dbraw/zinc/66/33/95/425663395.db2.gz WLCRIHGFLMUGQV-VIFPVBQESA-N 0 0 304.268 2.822 50 5 DFBARN O=C(NC1CC1)[C@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000008291264 425666027 /nfs/dbraw/zinc/66/60/27/425666027.db2.gz ZFWUIRUMSNPCKH-MRXNPFEDSA-N 0 0 312.325 2.994 50 5 DFBARN O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1 ZINC000008381409 425666902 /nfs/dbraw/zinc/66/69/02/425666902.db2.gz XJWHZHRYCHUOAN-UHFFFAOYSA-N 0 0 301.258 2.684 50 5 DFBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000008562457 425670984 /nfs/dbraw/zinc/67/09/84/425670984.db2.gz OGBLEHDOFXIJAO-SNVBAGLBSA-N 0 0 306.343 2.740 50 5 DFBARN CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008725919 425674643 /nfs/dbraw/zinc/67/46/43/425674643.db2.gz VVCPKFSKIACMLA-UHFFFAOYSA-N 0 0 305.256 2.552 50 5 DFBARN O=C(COC(=O)C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003320917 425614705 /nfs/dbraw/zinc/61/47/05/425614705.db2.gz VYQIPBGWKATTOI-UHFFFAOYSA-N 0 0 324.308 2.796 50 5 DFBARN Nc1nc(N2CCCCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000004306012 425619189 /nfs/dbraw/zinc/61/91/89/425619189.db2.gz ONWXAPYTRLWZKT-UHFFFAOYSA-N 0 0 320.397 2.702 50 5 DFBARN O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000005688861 425626330 /nfs/dbraw/zinc/62/63/30/425626330.db2.gz BZAZCYZYRPQYTH-UHFFFAOYSA-N 0 0 318.764 2.970 50 5 DFBARN O=[N+]([O-])c1ncccc1OCc1nc(-c2ccsc2)no1 ZINC000007202985 425637480 /nfs/dbraw/zinc/63/74/80/425637480.db2.gz GJOLMPUGBLMBLJ-UHFFFAOYSA-N 0 0 304.287 2.680 50 5 DFBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 ZINC000007405079 425642343 /nfs/dbraw/zinc/64/23/43/425642343.db2.gz SFPGSXBFJAOWED-UHFFFAOYSA-N 0 0 314.269 2.674 50 5 DFBARN Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000012693905 425735184 /nfs/dbraw/zinc/73/51/84/425735184.db2.gz QDEKEUKMQOFAIX-LBPRGKRZSA-N 0 0 315.329 2.554 50 5 DFBARN O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])c3nonc32)nc1 ZINC000008997323 425680420 /nfs/dbraw/zinc/68/04/20/425680420.db2.gz TTXBQJHIWLGKKF-UHFFFAOYSA-N 0 0 319.258 2.585 50 5 DFBARN C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000009155204 425682987 /nfs/dbraw/zinc/68/29/87/425682987.db2.gz QVHKMOAFCFEQRO-LBPRGKRZSA-N 0 0 314.345 2.653 50 5 DFBARN CC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000009499497 425689343 /nfs/dbraw/zinc/68/93/43/425689343.db2.gz JODGQLKIKDLCQN-NSHDSACASA-N 0 0 305.290 2.687 50 5 DFBARN O=C(Oc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000010272142 425699440 /nfs/dbraw/zinc/69/94/40/425699440.db2.gz CHOOTJDIABKERW-UHFFFAOYSA-N 0 0 311.249 2.920 50 5 DFBARN O=C(CSc1nccn1C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000011891728 425713321 /nfs/dbraw/zinc/71/33/21/425713321.db2.gz INVFQHXDIGHCIN-UHFFFAOYSA-N 0 0 318.358 2.857 50 5 DFBARN COc1c(Br)c([N+](=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000012505268 425729278 /nfs/dbraw/zinc/72/92/78/425729278.db2.gz CLRRHFYLLKMFLL-UHFFFAOYSA-N 0 0 311.475 2.928 50 5 DFBARN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000012544607 425730858 /nfs/dbraw/zinc/73/08/58/425730858.db2.gz JFFGRSKFSLEQRD-UHFFFAOYSA-N 0 0 310.313 2.973 50 5 DFBARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012586908 425733490 /nfs/dbraw/zinc/73/34/90/425733490.db2.gz UTXNEUJORJRSRZ-TXEJJXNPSA-N 0 0 320.345 2.541 50 5 DFBARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000015220025 425780430 /nfs/dbraw/zinc/78/04/30/425780430.db2.gz BVUUQMPZCQAOIE-JLUCKKNBSA-N 0 0 312.325 2.605 50 5 DFBARN O=C(NCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000025190520 425802570 /nfs/dbraw/zinc/80/25/70/425802570.db2.gz PJRGGWQZGJDAQQ-UHFFFAOYSA-N 0 0 310.693 2.650 50 5 DFBARN CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000025912743 425809482 /nfs/dbraw/zinc/80/94/82/425809482.db2.gz PKDOFNUTXVYCFD-UHFFFAOYSA-N 0 0 302.334 2.877 50 5 DFBARN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2[N+](=O)[O-])c1C ZINC000046146879 425864442 /nfs/dbraw/zinc/86/44/42/425864442.db2.gz JISKICMILUDXJQ-UHFFFAOYSA-N 0 0 315.329 2.672 50 5 DFBARN O=C(Cc1noc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889886 425829334 /nfs/dbraw/zinc/82/93/34/425829334.db2.gz POJFBCHQHOYKAX-UHFFFAOYSA-N 0 0 323.308 2.868 50 5 DFBARN Cc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000030835956 425832664 /nfs/dbraw/zinc/83/26/64/425832664.db2.gz XOLROELHXSCSSH-UHFFFAOYSA-N 0 0 324.333 2.867 50 5 DFBARN O=C(CCOc1cccc([N+](=O)[O-])c1)NCc1ccccc1F ZINC000031491129 425835337 /nfs/dbraw/zinc/83/53/37/425835337.db2.gz MQOHMAKOXVWAJH-UHFFFAOYSA-N 0 0 318.304 2.819 50 5 DFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OCC(F)(F)F ZINC000031702021 425835613 /nfs/dbraw/zinc/83/56/13/425835613.db2.gz YJTFBKSMEGVSAL-QMMMGPOBSA-N 0 0 306.240 2.809 50 5 DFBARN CCOc1cc(C(=O)OC)c([N+](=O)[O-])c(OCC)c1OCC ZINC000034929006 425842789 /nfs/dbraw/zinc/84/27/89/425842789.db2.gz JTOUBRGMBGEYAA-UHFFFAOYSA-N 0 0 313.306 2.578 50 5 DFBARN CC(C)COC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000036391482 425845805 /nfs/dbraw/zinc/84/58/05/425845805.db2.gz HLQPZRIQBGJMSL-NSHDSACASA-N 0 0 302.758 2.694 50 5 DFBARN CCCc1cc(=O)[nH]c(SCc2csc([N+](=O)[O-])c2)n1 ZINC000047171740 425868395 /nfs/dbraw/zinc/86/83/95/425868395.db2.gz QCVPIKGTMICQJD-UHFFFAOYSA-N 0 0 311.388 2.984 50 5 DFBARN Cc1sc(C(=O)Nc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC000048325172 425874637 /nfs/dbraw/zinc/87/46/37/425874637.db2.gz AJSGQAXWAAFALD-UHFFFAOYSA-N 0 0 306.343 2.752 50 5 DFBARN CCc1nc(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])cs1 ZINC000069441772 425939098 /nfs/dbraw/zinc/93/90/98/425939098.db2.gz DUZATWAJSHUGCL-UHFFFAOYSA-N 0 0 319.386 2.895 50 5 DFBARN Cc1nccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000071185151 425983030 /nfs/dbraw/zinc/98/30/30/425983030.db2.gz WNBRSBLIVPZSGH-SNVBAGLBSA-N 0 0 300.318 2.526 50 5 DFBARN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000071857393 425995769 /nfs/dbraw/zinc/99/57/69/425995769.db2.gz VEWHBQSDWLXNSB-QMMMGPOBSA-N 0 0 320.324 2.826 50 5 DFBARN O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000071882831 425998896 /nfs/dbraw/zinc/99/88/96/425998896.db2.gz ZAADNNPQGHMGEB-AWEZNQCLSA-N 0 0 311.341 2.604 50 5 DFBARN Cc1c(C(=O)Nc2cccc([S@](C)=O)c2)cccc1[N+](=O)[O-] ZINC000071893544 425999777 /nfs/dbraw/zinc/99/97/77/425999777.db2.gz VCLITHKLZDPBCV-JOCHJYFZSA-N 0 0 318.354 2.893 50 5 DFBARN Cc1ccc(N(C(=O)Cn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC000069593671 425949184 /nfs/dbraw/zinc/94/91/84/425949184.db2.gz SXAMQYRSHCTFFE-UHFFFAOYSA-N 0 0 302.334 2.541 50 5 DFBARN Cc1nccn1-c1cc(CNc2ncc([N+](=O)[O-])cc2C)ccn1 ZINC000069743191 425955860 /nfs/dbraw/zinc/95/58/60/425955860.db2.gz INMCVWZJGOOHPO-UHFFFAOYSA-N 0 0 324.344 2.799 50 5 DFBARN C[C@@H]1CCN(c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000071920851 426005275 /nfs/dbraw/zinc/00/52/75/426005275.db2.gz URSBIBRCOIVBEW-GHMZBOCLSA-N 0 0 312.391 2.623 50 5 DFBARN O=[N+]([O-])c1cccnc1N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000075109722 426062999 /nfs/dbraw/zinc/06/29/99/426062999.db2.gz QSFDXOQJQMOFBT-OAHLLOKOSA-N 0 0 317.320 2.831 50 5 DFBARN Cc1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cs1 ZINC000075127481 426063477 /nfs/dbraw/zinc/06/34/77/426063477.db2.gz RIFGQCATWGSVBW-QMMMGPOBSA-N 0 0 303.343 2.951 50 5 DFBARN CCn1nc(C)cc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000075127469 426064268 /nfs/dbraw/zinc/06/42/68/426064268.db2.gz LUWOZPSOGIULTI-NSHDSACASA-N 0 0 314.345 2.711 50 5 DFBARN Cc1nn(C)cc1[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000075138145 426065114 /nfs/dbraw/zinc/06/51/14/426065114.db2.gz VZVYXXWHRGHJRP-ZETCQYMHSA-N 0 0 306.351 2.519 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000162749799 426075131 /nfs/dbraw/zinc/07/51/31/426075131.db2.gz RDDOSADXWBWMDF-WFASDCNBSA-N 0 0 319.361 2.982 50 5 DFBARN CCc1ccc(NC(=O)NC[C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000077677199 426144723 /nfs/dbraw/zinc/14/47/23/426144723.db2.gz LNMQDWHKWGWECS-QWRGUYRKSA-N 0 0 309.366 2.686 50 5 DFBARN CCc1ccc(NC(=O)NC[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000077677201 426145085 /nfs/dbraw/zinc/14/50/85/426145085.db2.gz LNMQDWHKWGWECS-MNOVXSKESA-N 0 0 309.366 2.686 50 5 DFBARN COc1ccccc1O[C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000078504463 426172253 /nfs/dbraw/zinc/17/22/53/426172253.db2.gz HTUFJXZJQRPWOE-LLVKDONJSA-N 0 0 303.318 2.878 50 5 DFBARN COc1ccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC000089364970 426288133 /nfs/dbraw/zinc/28/81/33/426288133.db2.gz LDTXQCVAJGAZHX-UHFFFAOYSA-N 0 0 319.292 2.601 50 5 DFBARN COc1ccccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089471627 426293237 /nfs/dbraw/zinc/29/32/37/426293237.db2.gz HLSYYMKVPCTZPR-UHFFFAOYSA-N 0 0 312.285 2.732 50 5 DFBARN Cc1nc(NC(=O)Cc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000089536976 426295282 /nfs/dbraw/zinc/29/52/82/426295282.db2.gz LSCRDEHJQIAJNM-UHFFFAOYSA-N 0 0 307.256 2.758 50 5 DFBARN CNC(=O)c1cccc(COc2cccc(C)c2[N+](=O)[O-])c1 ZINC000089688891 426302418 /nfs/dbraw/zinc/30/24/18/426302418.db2.gz OGWRNBVUGVYZSH-UHFFFAOYSA-N 0 0 300.314 2.842 50 5 DFBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cncn2)c(Cl)c1 ZINC000095351531 426367318 /nfs/dbraw/zinc/36/73/18/426367318.db2.gz ZKVACMIANOOHNE-NSHDSACASA-N 0 0 307.741 2.509 50 5 DFBARN COC[C@@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000095943183 426376339 /nfs/dbraw/zinc/37/63/39/426376339.db2.gz NATDLOJNVVGVAL-SECBINFHSA-N 0 0 303.318 2.672 50 5 DFBARN CC(C)O[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000095944403 426376646 /nfs/dbraw/zinc/37/66/46/426376646.db2.gz KATSGQSXKOUDBX-UONOGXRCSA-N 0 0 306.362 2.917 50 5 DFBARN O=C(CC1CCOCC1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000095973900 426380815 /nfs/dbraw/zinc/38/08/15/426380815.db2.gz FWDRCPRFPLHLFZ-UHFFFAOYSA-N 0 0 304.346 2.691 50 5 DFBARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000095994868 426384809 /nfs/dbraw/zinc/38/48/09/426384809.db2.gz HPOALACZMMVCQW-SECBINFHSA-N 0 0 308.725 2.953 50 5 DFBARN COC(=O)c1ccc([N+](=O)[O-])c(NCc2scnc2C)c1 ZINC000096007367 426387403 /nfs/dbraw/zinc/38/74/03/426387403.db2.gz FGKCNMRHBWLCJX-UHFFFAOYSA-N 0 0 307.331 2.758 50 5 DFBARN CCc1cnc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000096431783 426422549 /nfs/dbraw/zinc/42/25/49/426422549.db2.gz YALTVAMXDQENDJ-UHFFFAOYSA-N 0 0 319.386 2.515 50 5 DFBARN CSc1ccc(OCCn2cccc([N+](=O)[O-])c2=O)cc1 ZINC000096430159 426422678 /nfs/dbraw/zinc/42/26/78/426422678.db2.gz JVRLAEAJXRPXER-UHFFFAOYSA-N 0 0 306.343 2.557 50 5 DFBARN CN1C(=O)COc2ccc(NCc3cccc([N+](=O)[O-])c3)cc21 ZINC000096433684 426424146 /nfs/dbraw/zinc/42/41/46/426424146.db2.gz PNXVVYCFOGZMEI-UHFFFAOYSA-N 0 0 313.313 2.562 50 5 DFBARN O=[N+]([O-])c1cccc(-c2ncn(CC3(O)CCCCC3)n2)c1 ZINC000096435837 426424493 /nfs/dbraw/zinc/42/44/93/426424493.db2.gz NCCYTFIKXDNIRS-UHFFFAOYSA-N 0 0 302.334 2.549 50 5 DFBARN Cc1nn(C)c(N[C@H]2CCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000096447440 426428394 /nfs/dbraw/zinc/42/83/94/426428394.db2.gz HNPISTYTXTYEAO-JSGCOSHPSA-N 0 0 302.334 2.579 50 5 DFBARN CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000096450524 426429139 /nfs/dbraw/zinc/42/91/39/426429139.db2.gz QJRKUDCDUGJPTC-YPMHNXCESA-N 0 0 309.391 2.581 50 5 DFBARN O=C(Nc1ccnn1CC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000096476164 426433339 /nfs/dbraw/zinc/43/33/39/426433339.db2.gz BJLKKGRWFYMBFE-UHFFFAOYSA-N 0 0 304.281 2.593 50 5 DFBARN Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)s1 ZINC000096495794 426437134 /nfs/dbraw/zinc/43/71/34/426437134.db2.gz VUOUGMZISDCKMS-UHFFFAOYSA-N 0 0 303.343 2.558 50 5 DFBARN Cc1nn(CCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000097047651 426442396 /nfs/dbraw/zinc/44/23/96/426442396.db2.gz ONCKSTIUKQWNGJ-UHFFFAOYSA-N 0 0 308.725 2.782 50 5 DFBARN O=c1c2ccsc2ccn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000097052808 426443520 /nfs/dbraw/zinc/44/35/20/426443520.db2.gz SNAZCTSNMJQGCB-CYBMUJFWSA-N 0 0 316.338 2.705 50 5 DFBARN CNc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000097049334 426443551 /nfs/dbraw/zinc/44/35/51/426443551.db2.gz OPDWVLGFZIDOPF-UHFFFAOYSA-N 0 0 321.362 2.723 50 5 DFBARN CCN(CCc1nccs1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080975 426446493 /nfs/dbraw/zinc/44/64/93/426446493.db2.gz AYYBEIQONCDENN-UHFFFAOYSA-N 0 0 321.362 2.543 50 5 DFBARN Cc1ccn(Cc2ccc([N+](=O)[O-])cc2Br)c(=O)c1 ZINC000097096253 426448090 /nfs/dbraw/zinc/44/80/90/426448090.db2.gz ZEYNABHLGRMHIO-UHFFFAOYSA-N 0 0 323.146 2.876 50 5 DFBARN Cc1c(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cnn1C ZINC000097145749 426454416 /nfs/dbraw/zinc/45/44/16/426454416.db2.gz NUIWKNHTWIEUAG-UHFFFAOYSA-N 0 0 317.349 2.575 50 5 DFBARN O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000100806393 426483034 /nfs/dbraw/zinc/48/30/34/426483034.db2.gz BVYKHIMTIVAVPN-CYBMUJFWSA-N 0 0 310.309 2.717 50 5 DFBARN COc1cccc(C(=O)N[C@@H](C)c2cncs2)c1[N+](=O)[O-] ZINC000225403247 426599585 /nfs/dbraw/zinc/59/95/85/426599585.db2.gz YDYDNGOHCCAWAE-QMMMGPOBSA-N 0 0 307.331 2.551 50 5 DFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252504686 427182285 /nfs/dbraw/zinc/18/22/85/427182285.db2.gz CPUMGJMLHVPDGN-IACUBPJLSA-N 0 0 319.361 2.838 50 5 DFBARN Cc1nn(Cc2ncnn2CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000272328666 427709870 /nfs/dbraw/zinc/70/98/70/427709870.db2.gz DFBONJYSYIAJHP-UHFFFAOYSA-N 0 0 314.349 2.549 50 5 DFBARN Cc1nn(C[C@H](O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000360705957 428408749 /nfs/dbraw/zinc/40/87/49/428408749.db2.gz YSPKHMLIPMVLEV-MRXNPFEDSA-N 0 0 311.341 2.857 50 5 DFBARN O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 ZINC000002025124 275026131 /nfs/dbraw/zinc/02/61/31/275026131.db2.gz KLNXLERKYIWYAC-UHFFFAOYSA-N 0 0 301.214 2.861 50 5 DFBARN CCOC(=O)c1ccc2ncc3c(=O)nc4ccccn4c3c2c1 ZINC000015110144 276300204 /nfs/dbraw/zinc/30/02/04/276300204.db2.gz SBLXPEFLJQCJTJ-UHFFFAOYSA-N 0 0 319.320 2.573 50 5 DFBARN CCOC1=NCN(c2ccnc([N+](=O)[O-])c2)c2ccccc2N1 ZINC000012618110 276308904 /nfs/dbraw/zinc/30/89/04/276308904.db2.gz IMAMFOPNYDWRKT-UHFFFAOYSA-N 0 0 313.317 2.713 50 5 DFBARN CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1 ZINC000005164052 277356682 /nfs/dbraw/zinc/35/66/82/277356682.db2.gz IXGLTKDEKSLSDZ-NSHDSACASA-N 0 0 322.413 2.661 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000004844678 278746422 /nfs/dbraw/zinc/74/64/22/278746422.db2.gz QPBSIWPVMAYYPU-NWDGAFQWSA-N 0 0 320.732 2.925 50 5 DFBARN CC(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000078182714 279291599 /nfs/dbraw/zinc/29/15/99/279291599.db2.gz RGUHERFCWALFAC-UHFFFAOYSA-N 0 0 306.362 2.553 50 5 DFBARN Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000096445072 279370882 /nfs/dbraw/zinc/37/08/82/279370882.db2.gz UFCYVYBPAMRECS-GFCCVEGCSA-N 0 0 303.318 2.894 50 5 DFBARN CC[C@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000007736351 288201696 /nfs/dbraw/zinc/20/16/96/288201696.db2.gz XMRSHCTUIDZUEB-NSHDSACASA-N 0 0 312.391 2.767 50 5 DFBARN Cc1ccc(-n2cc3c(nc2=O)oc2ccccc2c3=O)cc1 ZINC000001395780 280745522 /nfs/dbraw/zinc/74/55/22/280745522.db2.gz VJVBRRMHJTWOCP-UHFFFAOYSA-N 0 0 304.305 2.801 50 5 DFBARN CC1=C(C)C[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000100103869 281664861 /nfs/dbraw/zinc/66/48/61/281664861.db2.gz IFJWSFZAKJMGQO-VXGBXAGGSA-N 0 0 300.314 2.831 50 5 DFBARN Cc1nc(C[C@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])C2)no1 ZINC000253393330 293276945 /nfs/dbraw/zinc/27/69/45/293276945.db2.gz USXPJEGVZBYLET-LLVKDONJSA-N 0 0 320.324 2.884 50 5 DFBARN O=C(NC(=S)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000000454196 303712063 /nfs/dbraw/zinc/71/20/63/303712063.db2.gz YVWWTNUOCVXWCJ-UHFFFAOYSA-N 0 0 301.327 2.722 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1cccnc1 ZINC000163183209 323215848 /nfs/dbraw/zinc/21/58/48/323215848.db2.gz XWLNXVIEOGCTKD-UHFFFAOYSA-N 0 0 300.318 2.962 50 5 DFBARN O=C(NCc1ccno1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000390834066 323342548 /nfs/dbraw/zinc/34/25/48/323342548.db2.gz REDIKECNCVSIFB-UHFFFAOYSA-N 0 0 315.207 2.532 50 5 DFBARN Cc1nn(C)c(C)c1OC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000096424030 337382027 /nfs/dbraw/zinc/38/20/27/337382027.db2.gz JTRIWTCBEDOQNW-CMDGGOBGSA-N 0 0 301.302 2.564 50 5 DFBARN CC(C)(C)OC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000725273892 546414364 /nfs/dbraw/zinc/41/43/64/546414364.db2.gz QXZZYOZJEABSTD-SNAWJCMRSA-N 0 0 307.302 2.816 50 5 DFBARN CC(C)(C)c1cc(NC(=O)[C@H]2CC2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000066664557 398390580 /nfs/dbraw/zinc/39/05/80/398390580.db2.gz LWGXPFVKYUFDGF-UWVGGRQHSA-N 0 0 308.382 2.539 50 5 DFBARN CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cnn(CC)c1 ZINC000095401904 185354500 /nfs/dbraw/zinc/35/45/00/185354500.db2.gz NKOYQYYNJWYRON-HNNXBMFYSA-N 0 0 316.361 2.621 50 5 DFBARN COc1cc(N[C@H](C)Cn2nc(C)cc2C)ccc1[N+](=O)[O-] ZINC000095403119 185354939 /nfs/dbraw/zinc/35/49/39/185354939.db2.gz MWFBRKSYTSMWRC-LLVKDONJSA-N 0 0 304.350 2.917 50 5 DFBARN C[C@H]1CC[C@@H](CCC(=O)N(C)Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000095404149 185355234 /nfs/dbraw/zinc/35/52/34/185355234.db2.gz MXKLNUBQQPESSA-WFASDCNBSA-N 0 0 306.362 2.901 50 5 DFBARN COCc1cc([N+](=O)[O-])ccc1N1CCC(n2cccn2)CC1 ZINC000095437241 185365060 /nfs/dbraw/zinc/36/50/60/185365060.db2.gz NSHYPFPOQYPCIG-UHFFFAOYSA-N 0 0 316.361 2.779 50 5 DFBARN CCOCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000095456087 185370133 /nfs/dbraw/zinc/37/01/33/185370133.db2.gz RDFJCFDZSGNEEI-UHFFFAOYSA-N 0 0 301.730 2.796 50 5 DFBARN Cc1cc(N[C@H]2CCC[C@@H]2C(N)=O)c2cccc([N+](=O)[O-])c2n1 ZINC000095463620 185371290 /nfs/dbraw/zinc/37/12/90/185371290.db2.gz YNAKUYOHZRALFL-RYUDHWBXSA-N 0 0 314.345 2.517 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](O)c1ccsc1 ZINC000097096150 185409175 /nfs/dbraw/zinc/40/91/75/185409175.db2.gz DPBJNMGCHDWDTB-ZDUSSCGKSA-N 0 0 321.358 2.820 50 5 DFBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NCc2ccccc2)c1 ZINC000021614195 398413488 /nfs/dbraw/zinc/41/34/88/398413488.db2.gz LAJDBOKLDXBJCB-UHFFFAOYSA-N 0 0 300.314 2.598 50 5 DFBARN O=[N+]([O-])c1cc(Br)ccc1[C@@H](O)C(F)(F)F ZINC000584882435 398425130 /nfs/dbraw/zinc/42/51/30/398425130.db2.gz HVMGADIRHFPMRO-SSDOTTSWSA-N 0 0 300.030 2.953 50 5 DFBARN Cn1cnc([N+](=O)[O-])c1N[C@@H](c1ccccc1)c1ccccn1 ZINC000102875258 185424287 /nfs/dbraw/zinc/42/42/87/185424287.db2.gz IHEZFHVOKOLKKX-AWEZNQCLSA-N 0 0 309.329 2.925 50 5 DFBARN COc1c(C)[nH]cc(CN(C)c2ccc([N+](=O)[O-])c(C)c2)c1=O ZINC000585132715 398434005 /nfs/dbraw/zinc/43/40/05/398434005.db2.gz OXRIIVPHXPSAMC-UHFFFAOYSA-N 0 0 317.345 2.545 50 5 DFBARN COc1cc(Cn2cc([N+](=O)[O-])ccc2=O)ccc1SC ZINC000068043062 190744888 /nfs/dbraw/zinc/74/48/88/190744888.db2.gz CDNFFNDPWSQKBR-UHFFFAOYSA-N 0 0 306.343 2.535 50 5 DFBARN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139671367 186023157 /nfs/dbraw/zinc/02/31/57/186023157.db2.gz VEWMXTIUTVJXKX-PWSUYJOCSA-N 0 0 312.753 2.529 50 5 DFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2c1cccc2O ZINC000072283859 191103815 /nfs/dbraw/zinc/10/38/15/191103815.db2.gz XUKXZJHQXQOKDT-OAHLLOKOSA-N 0 0 312.325 2.647 50 5 DFBARN O=[N+]([O-])c1ccc(CCSc2ncnc3[nH]cnc32)cc1 ZINC000072287756 191107116 /nfs/dbraw/zinc/10/71/16/191107116.db2.gz DMBJHNWULUYUID-UHFFFAOYSA-N 0 0 301.331 2.596 50 5 DFBARN COc1cc(N2CCC[C@@H]2Cn2ccnc2C)ccc1[N+](=O)[O-] ZINC000225598200 186281392 /nfs/dbraw/zinc/28/13/92/186281392.db2.gz CDIYOCAFEGJFJO-CQSZACIVSA-N 0 0 316.361 2.777 50 5 DFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C)cc1Cl ZINC000072332095 191125393 /nfs/dbraw/zinc/12/53/93/191125393.db2.gz LUQZMBGDTUNGDN-UHFFFAOYSA-N 0 0 308.725 2.700 50 5 DFBARN CO[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000072511520 191184962 /nfs/dbraw/zinc/18/49/62/191184962.db2.gz CGNHORVNVNYPHX-LLVKDONJSA-N 0 0 300.742 2.649 50 5 DFBARN CC(C)OC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000367994 180768696 /nfs/dbraw/zinc/76/86/96/180768696.db2.gz JOKVQEDXDIYWLT-UHFFFAOYSA-N 0 0 323.330 2.689 50 5 DFBARN NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000436856 180790605 /nfs/dbraw/zinc/79/06/05/180790605.db2.gz PICSUSJYZHKMBG-UHFFFAOYSA-N 0 0 319.704 2.599 50 5 DFBARN COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000000441425 180792097 /nfs/dbraw/zinc/79/20/97/180792097.db2.gz QTFKQFREPDUXHK-UHFFFAOYSA-N 0 0 315.329 2.922 50 5 DFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cn1 ZINC000000444321 180792873 /nfs/dbraw/zinc/79/28/73/180792873.db2.gz VGUQCVBCQUBKOJ-UHFFFAOYSA-N 0 0 307.693 2.661 50 5 DFBARN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(F)c1 ZINC000002884245 180966886 /nfs/dbraw/zinc/96/68/86/180966886.db2.gz KAJLHBXJWIXIBA-UHFFFAOYSA-N 0 0 307.306 2.860 50 5 DFBARN Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000003382170 181013596 /nfs/dbraw/zinc/01/35/96/181013596.db2.gz WDEKUTFTEAJGRQ-UHFFFAOYSA-N 0 0 300.314 2.598 50 5 DFBARN O=[N+]([O-])c1cccc(Cn2nnc(-c3ccc(Cl)cc3)n2)c1 ZINC000003423670 181017808 /nfs/dbraw/zinc/01/78/08/181017808.db2.gz HGSJCPYJBNYQBU-UHFFFAOYSA-N 0 0 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O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Cl)cc(Cl)c1 ZINC000001067945 425574985 /nfs/dbraw/zinc/57/49/85/425574985.db2.gz RIICAKYROIVOTR-UHFFFAOYSA-N 0 0 315.116 2.737 50 5 DFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003224998 425611101 /nfs/dbraw/zinc/61/11/01/425611101.db2.gz IWYAOOVEIHPMFH-UHFFFAOYSA-N 0 0 323.286 2.825 50 5 DFBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@H]1CCCO1 ZINC000002155887 425591140 /nfs/dbraw/zinc/59/11/40/425591140.db2.gz USXUCIDBHJDDQF-SECBINFHSA-N 0 0 300.698 2.976 50 5 DFBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000002539409 425594968 /nfs/dbraw/zinc/59/49/68/425594968.db2.gz ABEVDCGKLRIYRW-SNVBAGLBSA-N 0 0 315.285 2.994 50 5 DFBARN CCCCOCCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000002739590 425600891 /nfs/dbraw/zinc/60/08/91/425600891.db2.gz DJOBVIZUONPYKM-UHFFFAOYSA-N 0 0 310.350 2.540 50 5 DFBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)o1 ZINC000002810909 425603523 /nfs/dbraw/zinc/60/35/23/425603523.db2.gz 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C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003232956 425613407 /nfs/dbraw/zinc/61/34/07/425613407.db2.gz UTXNEUJORJRSRZ-VXGBXAGGSA-N 0 0 320.345 2.541 50 5 DFBARN Cc1c(NCC(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000003273112 425614820 /nfs/dbraw/zinc/61/48/20/425614820.db2.gz ABYPBEKNSIRDNU-UHFFFAOYSA-N 0 0 311.341 2.904 50 5 DFBARN COc1ccccc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000005688753 425626092 /nfs/dbraw/zinc/62/60/92/425626092.db2.gz RDXJAWVSAQAAIL-UHFFFAOYSA-N 0 0 313.357 2.930 50 5 DFBARN CC(C)c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000012815348 425739014 /nfs/dbraw/zinc/73/90/14/425739014.db2.gz RGRWRAZQGMDNHL-UHFFFAOYSA-N 0 0 322.346 2.832 50 5 DFBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12 ZINC000009356035 425686242 /nfs/dbraw/zinc/68/62/42/425686242.db2.gz DTJJTWGXHBLENU-UHFFFAOYSA-N 0 0 309.281 2.898 50 5 DFBARN Cc1c(NC(=O)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000014287377 425770557 /nfs/dbraw/zinc/77/05/57/425770557.db2.gz 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/nfs/dbraw/zinc/81/35/49/425813549.db2.gz KLIVKKBVGCDVPH-UHFFFAOYSA-N 0 0 315.329 2.791 50 5 DFBARN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032816252 425839900 /nfs/dbraw/zinc/83/99/00/425839900.db2.gz TWEKDWIHJPZCJU-CYBMUJFWSA-N 0 0 319.361 2.570 50 5 DFBARN CCC(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032967727 425840852 /nfs/dbraw/zinc/84/08/52/425840852.db2.gz WBJHKXVMYVKVBR-UHFFFAOYSA-N 0 0 302.334 2.699 50 5 DFBARN COC(=O)c1ccc(Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000034349089 425842669 /nfs/dbraw/zinc/84/26/69/425842669.db2.gz HAGMMNXCYAVUPJ-UHFFFAOYSA-N 0 0 311.297 2.779 50 5 DFBARN Cc1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(=S)n1C ZINC000036394586 425845757 /nfs/dbraw/zinc/84/57/57/425845757.db2.gz SOZXTFCTMVWCGS-SECBINFHSA-N 0 0 319.390 2.576 50 5 DFBARN O=[N+]([O-])c1c(NCCc2ccc(O)cc2)nc2sccn21 ZINC000040445371 425851433 /nfs/dbraw/zinc/85/14/33/425851433.db2.gz JFJPANQAHBMEAJ-UHFFFAOYSA-N 0 0 304.331 2.664 50 5 DFBARN Cc1cc(N2CCC(NC(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000048289300 425874219 /nfs/dbraw/zinc/87/42/19/425874219.db2.gz COZZWLREQHMNSJ-UHFFFAOYSA-N 0 0 305.378 2.644 50 5 DFBARN Cc1ccc(N(C(=O)[C@H]2CC2[N+](=O)[O-])C2CCCCC2)nc1 ZINC000071888171 425999892 /nfs/dbraw/zinc/99/98/92/425999892.db2.gz BREOTGBDRONABH-UONOGXRCSA-N 0 0 303.362 2.721 50 5 DFBARN NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)c([N+](=O)[O-])c1 ZINC000071905453 426002090 /nfs/dbraw/zinc/00/20/90/426002090.db2.gz NPNSURTZVRURNN-UHFFFAOYSA-N 0 0 322.324 2.606 50 5 DFBARN C[C@@H]1CCCC[C@H]1OCc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000069439973 425939728 /nfs/dbraw/zinc/93/97/28/425939728.db2.gz YOHVVIWOMFPTTI-QMTHXVAHSA-N 0 0 317.345 2.927 50 5 DFBARN Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000069567892 425948043 /nfs/dbraw/zinc/94/80/43/425948043.db2.gz FWZHQMLRLUGRCO-SNVBAGLBSA-N 0 0 317.349 2.828 50 5 DFBARN CS(=O)(=O)c1ccc(N(CC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000069929360 425964167 /nfs/dbraw/zinc/96/41/67/425964167.db2.gz OILCWTLBEDKVMI-UHFFFAOYSA-N 0 0 324.402 2.625 50 5 DFBARN COc1ccc(C(=O)OCc2scnc2C)cc1[N+](=O)[O-] ZINC000072280762 426011982 /nfs/dbraw/zinc/01/19/82/426011982.db2.gz HGZOATMNJKVKCF-UHFFFAOYSA-N 0 0 308.315 2.725 50 5 DFBARN CN(c1ccc(F)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000089365232 426288263 /nfs/dbraw/zinc/28/82/63/426288263.db2.gz NMGQMJYNRBVFOT-UHFFFAOYSA-N 0 0 324.333 2.700 50 5 DFBARN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccncc1Cl ZINC000089421017 426289916 /nfs/dbraw/zinc/28/99/16/426289916.db2.gz XPPWZVFRHKVFMA-UHFFFAOYSA-N 0 0 317.692 2.772 50 5 DFBARN Cc1nnc([C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000089736290 426304311 /nfs/dbraw/zinc/30/43/11/426304311.db2.gz UKWVPEJGBMYGSA-ZDUSSCGKSA-N 0 0 318.333 2.502 50 5 DFBARN O=C(OCc1ccc(Oc2cccnc2)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000095350488 426366381 /nfs/dbraw/zinc/36/63/81/426366381.db2.gz LTPIEVMVIQGVNX-CABCVRRESA-N 0 0 314.297 2.582 50 5 DFBARN CCOC(=O)C(CC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000095348147 426366629 /nfs/dbraw/zinc/36/66/29/426366629.db2.gz NPVAMWCFKHMYMA-UHFFFAOYSA-N 0 0 323.345 2.660 50 5 DFBARN C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccncc1 ZINC000095385690 426370369 /nfs/dbraw/zinc/37/03/69/426370369.db2.gz FAKIPQKCIGTQAD-SNVBAGLBSA-N 0 0 301.302 2.569 50 5 DFBARN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1 ZINC000095977366 426381867 /nfs/dbraw/zinc/38/18/67/426381867.db2.gz BDNUPFXDKXJUTG-UHFFFAOYSA-N 0 0 318.251 2.615 50 5 DFBARN C[C@H](C1CC1)n1nccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096424990 426420801 /nfs/dbraw/zinc/42/08/01/426420801.db2.gz VDSUYPCCBICYQU-LLVKDONJSA-N 0 0 314.345 2.944 50 5 DFBARN Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC000096453903 426430439 /nfs/dbraw/zinc/43/04/39/426430439.db2.gz NMKVZBVFDZYHFW-JOCHJYFZSA-N 0 0 319.386 2.672 50 5 DFBARN COC(=O)c1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000096461832 426431086 /nfs/dbraw/zinc/43/10/86/426431086.db2.gz FFNRBBGCEPDRDI-UHFFFAOYSA-N 0 0 316.313 2.533 50 5 DFBARN COc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000096501748 426438499 /nfs/dbraw/zinc/43/84/99/426438499.db2.gz QVMJIEBRLUJPJA-UHFFFAOYSA-N 0 0 307.693 2.904 50 5 DFBARN O=[N+]([O-])c1nn(Cc2ccc(Cl)cn2)cc1Br ZINC000097046757 426442769 /nfs/dbraw/zinc/44/27/69/426442769.db2.gz TVWFHTGOLJYMCQ-UHFFFAOYSA-N 0 0 317.530 2.651 50 5 DFBARN C[C@@H](Cc1cccs1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080903 426446500 /nfs/dbraw/zinc/44/65/00/426446500.db2.gz YGGRLUHPZSBAFM-VIFPVBQESA-N 0 0 306.347 2.804 50 5 DFBARN CC(=O)c1ccc(N(C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000097379236 426465435 /nfs/dbraw/zinc/46/54/35/426465435.db2.gz WRFVBPKZGSKRDM-LBPRGKRZSA-N 0 0 304.346 2.803 50 5 DFBARN O=c1[nH]cccc1-c1c2c[nH]nc2nc2c3ccc(O)cc3oc21 ZINC000218313031 426568453 /nfs/dbraw/zinc/56/84/53/426568453.db2.gz IKMOSHBKMGITDL-UHFFFAOYSA-N 0 0 318.292 2.918 50 5 DFBARN CC(C)Oc1cc(NCCNc2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000225811942 426612097 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CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000018240404 182100154 /nfs/dbraw/zinc/10/01/54/182100154.db2.gz QHRMOZIIQNCORN-HNNXBMFYSA-N 0 0 323.308 2.816 50 5 DFBARN C[C@H](NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000022085965 182308699 /nfs/dbraw/zinc/30/86/99/182308699.db2.gz VEKOICOQIMLTRN-RYUDHWBXSA-N 0 0 315.329 2.635 50 5 DFBARN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000024766107 182390859 /nfs/dbraw/zinc/39/08/59/182390859.db2.gz FYHAXNMCTZYXTR-SNVBAGLBSA-N 0 0 306.343 2.913 50 5 DFBARN COc1ccc(-c2nc(Cn3cnc([N+](=O)[O-])c3)cs2)cc1 ZINC000024769937 182391097 /nfs/dbraw/zinc/39/10/97/182391097.db2.gz ISTJXEFOXLCKKG-UHFFFAOYSA-N 0 0 316.342 2.972 50 5 DFBARN Cc1sc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000024448840 182381173 /nfs/dbraw/zinc/38/11/73/182381173.db2.gz SPCCQDKESFGVOC-UHFFFAOYSA-N 0 0 302.315 2.698 50 5 DFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(C1CC1)C1CCCC1 ZINC000024687151 182387807 /nfs/dbraw/zinc/38/78/07/182387807.db2.gz 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CCOC(=O)CNCc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000065740981 184378563 /nfs/dbraw/zinc/37/85/63/184378563.db2.gz NSGVBEKJYQRLIP-UHFFFAOYSA-N 0 0 307.133 2.554 50 5 in-vitro DFBARN O=[N+]([O-])c1ccc(NCC2(O)CCOCC2)c(C(F)(F)F)c1 ZINC000072293773 285134701 /nfs/dbraw/zinc/13/47/01/285134701.db2.gz QPTQMTGVXULLFZ-UHFFFAOYSA-N 0 0 320.267 2.567 50 5 DFBARN O=c1c(Cl)c(Cl)cnn1Cc1ccc([N+](=O)[O-])cc1 ZINC000002629835 285205973 /nfs/dbraw/zinc/20/59/73/285205973.db2.gz BJVOCFDIYFGLPP-UHFFFAOYSA-N 0 0 300.101 2.507 50 5 DFBARN Cc1c(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000046306975 542440800 /nfs/dbraw/zinc/44/08/00/542440800.db2.gz IPOIJYWKLYQXMX-SNVBAGLBSA-N 0 0 323.349 2.755 50 5 DFBARN Cc1nn(Cc2cc(Cl)c3c(c2)OCCO3)c(C)c1[N+](=O)[O-] ZINC000008314563 256522743 /nfs/dbraw/zinc/52/27/43/256522743.db2.gz RXQULBIAEOPVON-UHFFFAOYSA-N 0 0 323.736 2.881 50 5 DFBARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cc([N+](=O)[O-])cn1 ZINC000004686737 257267654 /nfs/dbraw/zinc/26/76/54/257267654.db2.gz 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ZINC000069771041 296530041 /nfs/dbraw/zinc/53/00/41/296530041.db2.gz MYXTXTNMFHPNOH-UHFFFAOYSA-N 0 0 305.290 2.554 50 5 DFBARN CCc1cnccc1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354516317 147064544 /nfs/dbraw/zinc/06/45/44/147064544.db2.gz SRLCNJXTAGPVRG-JTQLQIEISA-N 0 0 314.345 2.625 50 5 DFBARN C[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004309513 287278333 /nfs/dbraw/zinc/27/83/33/287278333.db2.gz SWNKQWOPTIHFRL-SECBINFHSA-N 0 0 318.782 2.811 50 5 DFBARN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000068824718 425921660 /nfs/dbraw/zinc/92/16/60/425921660.db2.gz NTQRUIKGNHKGMW-SNVBAGLBSA-N 0 0 323.349 2.930 50 5 DFBARN COc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000038501 425530492 /nfs/dbraw/zinc/53/04/92/425530492.db2.gz FQJXCAVSIARZOY-UHFFFAOYSA-N 0 0 316.313 2.929 50 5 DFBARN O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccccc2)cc1 ZINC000000093182 425535816 /nfs/dbraw/zinc/53/58/16/425535816.db2.gz XINSQOLXINNYJA-UHFFFAOYSA-N 0 0 313.342 2.863 50 5 DFBARN O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)OCO3 ZINC000000095023 425535832 /nfs/dbraw/zinc/53/58/32/425535832.db2.gz TVXUVYGQVVDYDM-JTQLQIEISA-N 0 0 312.281 2.798 50 5 DFBARN Cc1nn(CCCC(=O)Nc2cccc(O)c2)c(C)c1[N+](=O)[O-] ZINC000000215090 425546741 /nfs/dbraw/zinc/54/67/41/425546741.db2.gz GJPJOGTXLFGXCZ-UHFFFAOYSA-N 0 0 318.333 2.533 50 5 DFBARN COc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1 ZINC000000308584 425552457 /nfs/dbraw/zinc/55/24/57/425552457.db2.gz QNXPGAWFXJFCFM-UVTDQMKNSA-N 0 0 324.292 2.948 50 5 DFBARN Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000435856 425559785 /nfs/dbraw/zinc/55/97/85/425559785.db2.gz UEEDTKXZVQMZQD-UHFFFAOYSA-N 0 0 310.306 2.843 50 5 DFBARN COC(=O)c1sccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000461582 425563071 /nfs/dbraw/zinc/56/30/71/425563071.db2.gz MXKRFHRFSXTIBJ-UHFFFAOYSA-N 0 0 306.299 2.695 50 5 DFBARN CC(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000467194 425563507 /nfs/dbraw/zinc/56/35/07/425563507.db2.gz VDNOIZPAAWXIPN-UHFFFAOYSA-N 0 0 314.297 2.910 50 5 DFBARN CCOC(=O)/C=C/c1cc(Br)sc1[N+](=O)[O-] ZINC000000480981 425564962 /nfs/dbraw/zinc/56/49/62/425564962.db2.gz ARGKUAGXYFSKCF-ONEGZZNKSA-N 0 0 306.137 2.995 50 5 DFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000000549537 425567408 /nfs/dbraw/zinc/56/74/08/425567408.db2.gz UBSSWYJCLIMYPC-SNVBAGLBSA-N 0 0 310.313 2.962 50 5 DFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000000549535 425568181 /nfs/dbraw/zinc/56/81/81/425568181.db2.gz UBSSWYJCLIMYPC-JTQLQIEISA-N 0 0 310.313 2.962 50 5 DFBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCO1 ZINC000001055562 425574614 /nfs/dbraw/zinc/57/46/14/425574614.db2.gz BIZHZBXYHAROST-GFCCVEGCSA-N 0 0 319.342 2.836 50 5 DFBARN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC000002747980 425600908 /nfs/dbraw/zinc/60/09/08/425600908.db2.gz KLADXPKSQWKQFK-NHYWBVRUSA-N 0 0 314.345 2.546 50 5 DFBARN CC(C)(C)C1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 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CC(=O)c1ccc(Sc2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC000007982244 425657054 /nfs/dbraw/zinc/65/70/54/425657054.db2.gz ZUXFCWFXRVILGF-UHFFFAOYSA-N 0 0 314.326 2.991 50 5 DFBARN CCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008143736 425661446 /nfs/dbraw/zinc/66/14/46/425661446.db2.gz FKFNZHIGMUDAIA-UHFFFAOYSA-N 0 0 305.256 2.552 50 5 DFBARN O=C(CNc1cccc([N+](=O)[O-])c1)NCc1ccccc1Cl ZINC000008211210 425663233 /nfs/dbraw/zinc/66/32/33/425663233.db2.gz CMXLIRRVKWZDAN-UHFFFAOYSA-N 0 0 319.748 2.977 50 5 DFBARN Cc1cc(C)nc(Sc2nc3sccn3c2[N+](=O)[O-])n1 ZINC000008308424 425666437 /nfs/dbraw/zinc/66/64/37/425666437.db2.gz RBVBPQDHXATOOE-UHFFFAOYSA-N 0 0 307.360 2.862 50 5 DFBARN C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008520175 425670704 /nfs/dbraw/zinc/67/07/04/425670704.db2.gz YCKAIEFXPAHMOI-GFCCVEGCSA-N 0 0 320.370 2.977 50 5 DFBARN Cc1cc(S(=O)(=O)n2ccnc2C(C)C)cc([N+](=O)[O-])c1C ZINC000008590613 425670949 /nfs/dbraw/zinc/67/09/49/425670949.db2.gz PYCQJWHLQGPFCP-UHFFFAOYSA-N 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O=[N+]([O-])c1cnn(C[C@H](O)CSc2ccc(Cl)cc2)c1 ZINC000076082242 426099656 /nfs/dbraw/zinc/09/96/56/426099656.db2.gz AMQWWVACQLXLMZ-NSHDSACASA-N 0 0 313.766 2.598 50 5 DFBARN O=[N+]([O-])c1ccc(N2CCC(OC3CCOCC3)CC2)cc1 ZINC000077227073 426123311 /nfs/dbraw/zinc/12/33/11/426123311.db2.gz CDAYNSUHADOPNK-UHFFFAOYSA-N 0 0 306.362 2.759 50 5 DFBARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000162744537 426075007 /nfs/dbraw/zinc/07/50/07/426075007.db2.gz GELYBLLLPSDZON-SNVBAGLBSA-N 0 0 317.349 2.687 50 5 DFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000162750051 426075144 /nfs/dbraw/zinc/07/51/44/426075144.db2.gz RDDOSADXWBWMDF-SWLSCSKDSA-N 0 0 319.361 2.982 50 5 DFBARN Cc1nn(C)c(C)c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162788672 426077695 /nfs/dbraw/zinc/07/76/95/426077695.db2.gz PBVCGYORDUNVGR-UHFFFAOYSA-N 0 0 317.349 2.575 50 5 DFBARN CNC(=O)c1ccc(N[C@@H](C)c2cncs2)c([N+](=O)[O-])c1 ZINC000170619613 426140239 /nfs/dbraw/zinc/14/02/39/426140239.db2.gz 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COc1c(C)cnc(CN(C)c2ncccc2[N+](=O)[O-])c1C ZINC000058544901 521808547 /nfs/dbraw/zinc/80/85/47/521808547.db2.gz VXFAYMFNWPYEML-UHFFFAOYSA-N 0 0 302.334 2.647 50 5 DFBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H]1c1nc[nH]n1 ZINC000685944821 546411903 /nfs/dbraw/zinc/41/19/03/546411903.db2.gz ATQBBQRWYNIXHO-ZDUSSCGKSA-N 0 0 310.317 2.603 50 5 DFBARN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000252493970 563916156 /nfs/dbraw/zinc/91/61/56/563916156.db2.gz NHTDSYFCCWCYKV-KRWDZBQOSA-N 0 0 320.389 2.964 50 5 DFBARN CCC(CC)NC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000096904463 185390781 /nfs/dbraw/zinc/39/07/81/185390781.db2.gz YBRJXPWZAPEYBK-WAYWQWQTSA-N 0 0 306.318 2.642 50 5 DFBARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000095395611 185352624 /nfs/dbraw/zinc/35/26/24/185352624.db2.gz CAOIHKVIBBGALQ-SNVBAGLBSA-N 0 0 316.361 2.745 50 5 DFBARN C[C@@H]1CC[C@H](CCC(=O)N(C)Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000095404146 185355123 /nfs/dbraw/zinc/35/51/23/185355123.db2.gz 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ZINC000097135443 185413572 /nfs/dbraw/zinc/41/35/72/185413572.db2.gz HNIOVDDQIIUKDG-LBPRGKRZSA-N 0 0 306.366 2.613 50 5 DFBARN CC(C)(C)[C@H]1CCC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000413572470 295721630 /nfs/dbraw/zinc/72/16/30/295721630.db2.gz IJSRMCWZJVDOKL-QWRGUYRKSA-N 0 0 306.366 2.715 50 5 DFBARN COc1cc(N2CCC[C@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000091455072 398530405 /nfs/dbraw/zinc/53/04/05/398530405.db2.gz IKAYXFQUNLYGSB-NSHDSACASA-N 0 0 318.333 2.679 50 5 DFBARN Cc1nn(C)c(Nc2ccc(OCC(C)(C)O)cc2)c1[N+](=O)[O-] ZINC000072289235 191108621 /nfs/dbraw/zinc/10/86/21/191108621.db2.gz OHXAZIHMCBRPFH-UHFFFAOYSA-N 0 0 320.349 2.530 50 5 DFBARN CCN(Cc1cnn(C)c1)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000253393344 186303522 /nfs/dbraw/zinc/30/35/22/186303522.db2.gz XGFQXLHUBPKSDX-UHFFFAOYSA-N 0 0 308.313 2.503 50 5 DFBARN O=C(NCc1ccco1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329399 191124631 /nfs/dbraw/zinc/12/46/31/191124631.db2.gz MDQJGOLTELMWCT-UHFFFAOYSA-N 0 0 312.285 2.508 50 5 DFBARN Cc1cncc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000097095566 398663657 /nfs/dbraw/zinc/66/36/57/398663657.db2.gz ZXWPLYMKSJPWNY-UHFFFAOYSA-N 0 0 305.721 2.882 50 5 DFBARN O=C(NC[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000270976 180744241 /nfs/dbraw/zinc/74/42/41/180744241.db2.gz YZQIOABOYQEETF-INIZCTEOSA-N 0 0 312.325 2.639 50 5 DFBARN COC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000485331 180805338 /nfs/dbraw/zinc/80/53/38/180805338.db2.gz DEHKYKNRRCXLJB-UHFFFAOYSA-N 0 0 300.270 2.634 50 5 DFBARN Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000002787801 180957638 /nfs/dbraw/zinc/95/76/38/180957638.db2.gz DPELOBYKFUCGIU-QMMMGPOBSA-N 0 0 324.287 2.653 50 5 DFBARN Nc1n[nH]c(SCc2cc(=O)oc3ccc4ccccc4c23)n1 ZINC000003345931 181008826 /nfs/dbraw/zinc/00/88/26/181008826.db2.gz DZMRDZQOCCHICS-UHFFFAOYSA-N 0 0 324.365 2.939 50 5 DFBARN O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1SCCO ZINC000003618386 181042060 /nfs/dbraw/zinc/04/20/60/181042060.db2.gz QGRYBRWQDCNSAZ-UHFFFAOYSA-N 0 0 318.354 2.932 50 5 DFBARN Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000003912556 181058033 /nfs/dbraw/zinc/05/80/33/181058033.db2.gz BRWHGDPUXCJJIA-UHFFFAOYSA-N 0 0 315.211 2.609 50 5 DFBARN Cc1ccc(Nc2c(C(N)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004014420 181062157 /nfs/dbraw/zinc/06/21/57/181062157.db2.gz BHVTVVWHCVAKMH-UHFFFAOYSA-N 0 0 316.273 2.654 50 5 DFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1F ZINC000004131081 181077549 /nfs/dbraw/zinc/07/75/49/181077549.db2.gz JKGZNWLZHLJHRI-UHFFFAOYSA-N 0 0 310.306 2.843 50 5 DFBARN Cc1cccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)c1 ZINC000004331233 181098528 /nfs/dbraw/zinc/09/85/28/181098528.db2.gz YXSYJGIFPZLDIG-UHFFFAOYSA-N 0 0 310.317 2.931 50 5 DFBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004460338 181110463 /nfs/dbraw/zinc/11/04/63/181110463.db2.gz BJQZFWVUWUUMQV-SNVBAGLBSA-N 0 0 307.331 2.847 50 5 DFBARN CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000004537877 181120771 /nfs/dbraw/zinc/12/07/71/181120771.db2.gz CUYRWKVBKPOLCO-UHFFFAOYSA-N 0 0 313.273 2.833 50 5 DFBARN COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000004611243 181129226 /nfs/dbraw/zinc/12/92/26/181129226.db2.gz ILRQZKOUPHOTQU-UHFFFAOYSA-N 0 0 302.286 2.864 50 5 DFBARN Cc1nonc1O[C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004695995 181137880 /nfs/dbraw/zinc/13/78/80/181137880.db2.gz AHYNAWVBDOVMFE-SSDOTTSWSA-N 0 0 312.713 2.819 50 5 DFBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000004749798 181147630 /nfs/dbraw/zinc/14/76/30/181147630.db2.gz YFCACSBGUFFMHD-JTQLQIEISA-N 0 0 314.297 2.815 50 5 DFBARN CCCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005077096 181201106 /nfs/dbraw/zinc/20/11/06/181201106.db2.gz IKXAQXRYLFTPAZ-UHFFFAOYSA-N 0 0 300.698 2.530 50 5 DFBARN CCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005260026 181223433 /nfs/dbraw/zinc/22/34/33/181223433.db2.gz DAIYDPLPKMMXKK-UHFFFAOYSA-N 0 0 306.343 2.958 50 5 DFBARN Cc1cc(C(=O)OCc2cn3ccccc3n2)ccc1[N+](=O)[O-] ZINC000005357996 181234633 /nfs/dbraw/zinc/23/46/33/181234633.db2.gz SGMVQKQQUMEQMS-UHFFFAOYSA-N 0 0 311.297 2.908 50 5 DFBARN COc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005360357 181234664 /nfs/dbraw/zinc/23/46/64/181234664.db2.gz WAXSFNFMEFGJJS-UHFFFAOYSA-N 0 0 302.286 2.621 50 5 DFBARN CCOc1ncccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000005559623 181257217 /nfs/dbraw/zinc/25/72/17/181257217.db2.gz KCWIFABJAXQKEE-UHFFFAOYSA-N 0 0 302.286 2.746 50 5 DFBARN CCn1c2ccccc2c(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1=O ZINC000005573281 181259164 /nfs/dbraw/zinc/25/91/64/181259164.db2.gz HBBBFUILSMIJBM-NSHDSACASA-N 0 0 317.345 2.521 50 5 DFBARN NC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000005688422 181273197 /nfs/dbraw/zinc/27/31/97/181273197.db2.gz KVRLHTIQQYEHEA-UHFFFAOYSA-N 0 0 324.340 2.830 50 5 DFBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000005869677 181291734 /nfs/dbraw/zinc/29/17/34/181291734.db2.gz FXYXOLPAMLVZNP-GFCCVEGCSA-N 0 0 300.314 2.679 50 5 DFBARN Cc1cc(C(=O)Cn2cccc([N+](=O)[O-])c2=O)c(Cl)cc1F ZINC000089570423 192819729 /nfs/dbraw/zinc/81/97/29/192819729.db2.gz BIQHODDRBRTXQO-UHFFFAOYSA-N 0 0 324.695 2.740 50 5 DFBARN COC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000005960726 181301580 /nfs/dbraw/zinc/30/15/80/181301580.db2.gz HBYOVKAPJFPZGQ-UHFFFAOYSA-N 0 0 315.281 2.909 50 5 DFBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC000006052055 181308458 /nfs/dbraw/zinc/30/84/58/181308458.db2.gz UUMXVNDXDGKHPI-LLVKDONJSA-N 0 0 320.345 2.589 50 5 DFBARN CC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ncccc12 ZINC000006186569 181318400 /nfs/dbraw/zinc/31/84/00/181318400.db2.gz LQZNCSLLNBMUSN-UHFFFAOYSA-N 0 0 309.281 2.676 50 5 DFBARN Cc1nn(CC(=O)Nc2ccc(C)cc2C)c(C)c1[N+](=O)[O-] ZINC000006340171 181332426 /nfs/dbraw/zinc/33/24/26/181332426.db2.gz MSQXLUMKSBVEJC-UHFFFAOYSA-N 0 0 302.334 2.664 50 5 DFBARN O=C(OCC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000006533017 181351156 /nfs/dbraw/zinc/35/11/56/181351156.db2.gz NUMUHXXTXZTQTP-UHFFFAOYSA-N 0 0 322.361 2.736 50 5 DFBARN C[C@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000170606563 399009840 /nfs/dbraw/zinc/00/98/40/399009840.db2.gz IDEHAVWEVIHGSE-AWEZNQCLSA-N 0 0 319.405 2.663 50 5 DFBARN CC[C@H]1c2cccn2CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000170605141 399009869 /nfs/dbraw/zinc/00/98/69/399009869.db2.gz PITADUWQGSCQKF-AWEZNQCLSA-N 0 0 314.345 2.586 50 5 DFBARN Cc1nc2ccccc2nc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000170614897 399011294 /nfs/dbraw/zinc/01/12/94/399011294.db2.gz NMVFLVMYYMAZRF-UHFFFAOYSA-N 0 0 309.329 2.969 50 5 DFBARN COC(=O)c1cc([N+](=O)[O-])cc(C)c1NCc1cccnc1 ZINC000170613090 399011372 /nfs/dbraw/zinc/01/13/72/399011372.db2.gz OGUQQCPORLUAIR-UHFFFAOYSA-N 0 0 301.302 2.697 50 5 DFBARN COc1ccc(F)cc1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000007122647 181440304 /nfs/dbraw/zinc/44/03/04/181440304.db2.gz HGAPLAKBINPWMY-UHFFFAOYSA-N 0 0 320.276 2.682 50 5 DFBARN CC(C)=CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000007651234 181482892 /nfs/dbraw/zinc/48/28/92/181482892.db2.gz GXNPCHCRBVSWCF-UHFFFAOYSA-N 0 0 312.709 2.696 50 5 DFBARN Cc1nn(C)c(N[C@@H]2CCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000096447438 193650248 /nfs/dbraw/zinc/65/02/48/193650248.db2.gz HNPISTYTXTYEAO-OCCSQVGLSA-N 0 0 302.334 2.579 50 5 DFBARN CC(C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000009339311 181615940 /nfs/dbraw/zinc/61/59/40/181615940.db2.gz IVJWTCVQNHKOGI-UHFFFAOYSA-N 0 0 319.283 2.940 50 5 DFBARN CCc1onc(C)c1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000189256021 399165206 /nfs/dbraw/zinc/16/52/06/399165206.db2.gz AXVRZOQNFKCANO-UHFFFAOYSA-N 0 0 319.317 2.822 50 5 DFBARN C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000097232711 193695562 /nfs/dbraw/zinc/69/55/62/193695562.db2.gz AHQMFJZVVKNFDX-ZANVPECISA-N 0 0 312.753 2.624 50 5 DFBARN CCO[C@H](CC)CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000015659206 182010719 /nfs/dbraw/zinc/01/07/19/182010719.db2.gz KKCKEUGMWCFQTA-LLVKDONJSA-N 0 0 319.361 2.674 50 5 DFBARN O=C(NCCCn1ccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017056749 182074058 /nfs/dbraw/zinc/07/40/58/182074058.db2.gz BGHSYAAEVRTCIT-UHFFFAOYSA-N 0 0 323.740 2.657 50 5 DFBARN Cc1ccn2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000017183358 182079548 /nfs/dbraw/zinc/07/95/48/182079548.db2.gz ILBUOVBAYLAAAJ-UHFFFAOYSA-N 0 0 311.297 2.908 50 5 DFBARN COc1cc(CNc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000019309454 182114207 /nfs/dbraw/zinc/11/42/07/182114207.db2.gz QWNRGYILTJJEIK-UHFFFAOYSA-N 0 0 319.317 2.628 50 5 biogenic,in-vitro DFBARN Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1CCOCC1 ZINC000019791662 182149708 /nfs/dbraw/zinc/14/97/08/182149708.db2.gz SSUWFVCSNGUAQO-UHFFFAOYSA-N 0 0 308.381 2.822 50 5 DFBARN COC(=O)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000021002924 182258775 /nfs/dbraw/zinc/25/87/75/182258775.db2.gz MJIZGKSUAACAOX-UHFFFAOYSA-N 0 0 314.297 2.563 50 5 DFBARN Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000021685804 182283314 /nfs/dbraw/zinc/28/33/14/182283314.db2.gz KDJZMDIWLKLBRR-CYZMBNFOSA-N 0 0 321.377 2.618 50 5 DFBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000022813256 182335643 /nfs/dbraw/zinc/33/56/43/182335643.db2.gz LNYVPICEMANMSY-NSHDSACASA-N 0 0 310.317 2.744 50 5 DFBARN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2ccccc21 ZINC000028027376 182505316 /nfs/dbraw/zinc/50/53/16/182505316.db2.gz BLSAXKXZAXZFMK-UHFFFAOYSA-N 0 0 308.297 2.674 50 5 DFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OCC(F)(F)F ZINC000031702018 182620777 /nfs/dbraw/zinc/62/07/77/182620777.db2.gz YJTFBKSMEGVSAL-MRVPVSSYSA-N 0 0 306.240 2.809 50 5 DFBARN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCO1 ZINC000180910723 284606577 /nfs/dbraw/zinc/60/65/77/284606577.db2.gz VVMHKYKKULZKTB-UHFFFAOYSA-N 0 0 315.123 2.525 50 5 DFBARN Cc1c(C(=O)NC[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000040074534 183031472 /nfs/dbraw/zinc/03/14/72/183031472.db2.gz XGKCNBDIBBVJQQ-ZDUSSCGKSA-N 0 0 312.325 2.637 50 5 DFBARN 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ZINC000096455741 426430154 /nfs/dbraw/zinc/43/01/54/426430154.db2.gz BQUIFWVGZJIPRB-UHFFFAOYSA-N 0 0 318.314 2.989 50 5 DFBARN COC(=O)c1sccc1NC=Cc1onc(C)c1[N+](=O)[O-] ZINC000100278052 426482093 /nfs/dbraw/zinc/48/20/93/426482093.db2.gz QMMWVUYCWVCICA-HWKANZROSA-N 0 0 309.303 2.822 50 5 DFBARN Cc1ccc(N2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000100943365 426483465 /nfs/dbraw/zinc/48/34/65/426483465.db2.gz CDDIINQPQIMWTL-NWDGAFQWSA-N 0 0 320.732 2.925 50 5 DFBARN C[C@H]1C[C@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273144749 426600384 /nfs/dbraw/zinc/60/03/84/426600384.db2.gz KUGASBDXLMPFTM-QWHCGFSZSA-N 0 0 321.377 2.599 50 5 DFBARN COC(=O)c1cc(COc2ccc(N)c([N+](=O)[O-])c2)c(C)s1 ZINC000225823808 426614250 /nfs/dbraw/zinc/61/42/50/426614250.db2.gz GBZLGYJEEXTHHY-UHFFFAOYSA-N 0 0 322.342 2.913 50 5 DFBARN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@@]12CCCO2 ZINC000273437767 426663731 /nfs/dbraw/zinc/66/37/31/426663731.db2.gz AOUCAIVOXFBSPO-OAGGEKHMSA-N 0 0 322.361 2.742 50 5 DFBARN O=[N+]([O-])c1c(F)cccc1N1CCCN(c2ccccn2)CC1 ZINC000240871464 426715765 /nfs/dbraw/zinc/71/57/65/426715765.db2.gz IKSXAONRWKPSBN-UHFFFAOYSA-N 0 0 316.336 2.846 50 5 DFBARN COc1cccc(NC[C@@H]2COC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000274663334 426813749 /nfs/dbraw/zinc/81/37/49/426813749.db2.gz FVIGYHLPQBBURT-LLVKDONJSA-N 0 0 308.334 2.701 50 5 DFBARN CO[C@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182396780 427070488 /nfs/dbraw/zinc/07/04/88/427070488.db2.gz XTQNGGYVUGMEOJ-HNNXBMFYSA-N 0 0 300.314 2.945 50 5 DFBARN COc1c(C)cnc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c1C ZINC000185179254 427608749 /nfs/dbraw/zinc/60/87/49/427608749.db2.gz PBKOIHWKKMQVNB-UHFFFAOYSA-N 0 0 302.334 2.737 50 5 DFBARN Cc1cc([N+](=O)[O-])nn1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000360686105 428399262 /nfs/dbraw/zinc/39/92/62/428399262.db2.gz PXIQMHJUNVNCPX-INIZCTEOSA-N 0 0 311.341 2.857 50 5 DFBARN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc([N+](=O)[O-])o1 ZINC000019874123 274119250 /nfs/dbraw/zinc/11/92/50/274119250.db2.gz XQXQYIIUQFRGRJ-INIZCTEOSA-N 0 0 313.313 2.913 50 5 DFBARN CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003156575 275516445 /nfs/dbraw/zinc/51/64/45/275516445.db2.gz OPWVFHZIAZMMIB-UHFFFAOYSA-N 0 0 301.686 2.685 50 5 DFBARN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000095459189 276472627 /nfs/dbraw/zinc/47/26/27/276472627.db2.gz OUHRAFJVCABUIK-MWLCHTKSSA-N 0 0 307.306 2.906 50 5 DFBARN CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000032933000 277756811 /nfs/dbraw/zinc/75/68/11/277756811.db2.gz KETKELGKEIMMMJ-CYBMUJFWSA-N 0 0 317.349 2.847 50 5 DFBARN COc1ccccc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000009368328 278058171 /nfs/dbraw/zinc/05/81/71/278058171.db2.gz ZSBUJHCUNMKWLQ-UHFFFAOYSA-N 0 0 315.329 2.922 50 5 DFBARN O=c1c([N+](=O)[O-])c(Nc2ccc3c(c2)CCC3)nc2ccccn21 ZINC000041817327 280390232 /nfs/dbraw/zinc/39/02/32/280390232.db2.gz HPQPVZBEYFXXKO-UHFFFAOYSA-N 0 0 322.324 2.835 50 5 DFBARN O=c1oc(-c2cccs2)nn1Cc1ccccc1[N+](=O)[O-] ZINC000015399003 280396944 /nfs/dbraw/zinc/39/69/44/280396944.db2.gz RMRBXKDMAHJOED-UHFFFAOYSA-N 0 0 303.299 2.521 50 5 DFBARN Cc1ccc([N+](=O)[O-])c(N2CCC(c3cc(N)n[nH]3)CC2)c1 ZINC000088727970 281011003 /nfs/dbraw/zinc/01/10/03/281011003.db2.gz JEEABVQAOZBVTH-UHFFFAOYSA-N 0 0 301.350 2.593 50 5 DFBARN Cc1nc(NC(=O)[C@H]2CC2[N+](=O)[O-])sc1-c1ccccc1 ZINC000044492453 293335051 /nfs/dbraw/zinc/33/50/51/293335051.db2.gz PEOQSCKWJAIQNQ-WDEREUQCSA-N 0 0 303.343 2.722 50 5 DFBARN Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)NC1CCCCC1 ZINC000000504203 294512289 /nfs/dbraw/zinc/51/22/89/294512289.db2.gz XDBITEWDACEDFY-UHFFFAOYSA-N 0 0 308.382 2.688 50 5 DFBARN COc1ccccc1[C@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000068916712 295407966 /nfs/dbraw/zinc/40/79/66/295407966.db2.gz HXXFHVYHOJVZPX-GFCCVEGCSA-N 0 0 302.334 2.678 50 5 DFBARN O=C(NC1CC1)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050933560 295606656 /nfs/dbraw/zinc/60/66/56/295606656.db2.gz SKFZHRHTRMAVDF-JTQLQIEISA-N 0 0 323.780 2.743 50 5 DFBARN Cc1cc(C)n(C[C@@H](C)C[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000089594086 301240097 /nfs/dbraw/zinc/24/00/97/301240097.db2.gz CBTIZINZUAIJHB-NSHDSACASA-N 0 0 318.377 2.540 50 5 DFBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000000452743 331462846 /nfs/dbraw/zinc/46/28/46/331462846.db2.gz JPGMPVKLZUKFOP-UHFFFAOYSA-N 0 0 319.317 2.861 50 5 DFBARN