smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN(C)Cc2ccoc2C)cc([N+](=O)[O-])c1[O-] ZINC000092438413 185318452 /nfs/dbraw/zinc/31/84/52/185318452.db2.gz KPKGHFLDXJQDHF-UHFFFAOYSA-N -1 0 306.318 2.842 50 5 DFBARM Cc1c(NC(=O)c2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000095389791 185351119 /nfs/dbraw/zinc/35/11/19/185351119.db2.gz IPSAWAUFGKFFFE-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000170077708 197767622 /nfs/dbraw/zinc/76/76/22/197767622.db2.gz CWXHDVPFQOZYHN-LLVKDONJSA-N -1 0 315.329 2.919 50 5 DFBARM O=C([O-])[C@H]1CCO[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000162823445 304192681 /nfs/dbraw/zinc/19/26/81/304192681.db2.gz QWNPVYZDJBDWIN-WCBMZHEXSA-N -1 0 316.107 2.520 50 5 DFBARM COc1ccccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000039996370 183027723 /nfs/dbraw/zinc/02/77/23/183027723.db2.gz MKKMWMGFLLXJRN-VOTSOKGWSA-N -1 0 300.270 2.867 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])ccc1[C@@H]1Nc2ccccc2C(=O)O1 ZINC000004708788 304228233 /nfs/dbraw/zinc/22/82/33/304228233.db2.gz BZRSFRGJWRPFEA-CYBMUJFWSA-N -1 0 314.253 2.574 50 5 DFBARM CC(C)c1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cs1 ZINC000071880003 184884079 /nfs/dbraw/zinc/88/40/79/184884079.db2.gz WMKHAIJFBUBDAP-UHFFFAOYSA-N -1 0 321.358 2.810 50 5 DFBARM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000128926717 196004917 /nfs/dbraw/zinc/00/49/17/196004917.db2.gz FIEJGSWTTXCBKS-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM CCOc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000364500 425556391 /nfs/dbraw/zinc/55/63/91/425556391.db2.gz UZFBYQMVVPSVIZ-UHFFFAOYSA-N -1 0 322.342 2.794 50 5 DFBARM O=C([O-])c1ccccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002156173 425590445 /nfs/dbraw/zinc/59/04/45/425590445.db2.gz QAVVIQAFGJQPJF-UHFFFAOYSA-N -1 0 304.233 2.684 50 5 DFBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000000255558 425549046 /nfs/dbraw/zinc/54/90/46/425549046.db2.gz XXZVDFMPIJKYJF-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000000264104 425550261 /nfs/dbraw/zinc/55/02/61/425550261.db2.gz VJZVENZGENEWNU-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM COc1cc(C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000007603960 425646818 /nfs/dbraw/zinc/64/68/18/425646818.db2.gz YMONHLJJRRITER-UHFFFAOYSA-N -1 0 303.270 2.881 50 5 DFBARM O=C1Nc2ccccc2[N-]c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000003878880 425616776 /nfs/dbraw/zinc/61/67/76/425616776.db2.gz HQANKFBCTNTADV-UHFFFAOYSA-N -1 0 300.230 2.812 50 5 DFBARM COc1ccc(-c2cc(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]2)cc1 ZINC000009482112 425689467 /nfs/dbraw/zinc/68/94/67/425689467.db2.gz DFKUHNYXXNOUCM-UHFFFAOYSA-N -1 0 311.297 2.744 50 5 DFBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccnc2)c([N+](=O)[O-])c1 ZINC000038144563 425850700 /nfs/dbraw/zinc/85/07/00/425850700.db2.gz NNFCFDYRIJDRTR-UHFFFAOYSA-N -1 0 305.206 2.550 50 5 DFBARM COc1cc(C=C2SC(=S)NC2=O)c([O-])c([N+](=O)[O-])c1 ZINC000096429646 426423068 /nfs/dbraw/zinc/42/30/68/426423068.db2.gz NGEBAOCKDPCGCZ-BAQGIRSFSA-N -1 0 312.328 2.638 50 5 DFBARM O=C(N[C@H](c1nccs1)C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000096481524 426433725 /nfs/dbraw/zinc/43/37/25/426433725.db2.gz HRQDWWLRRKHUID-NSHDSACASA-N -1 0 319.342 2.638 50 5 DFBARM O=C(N[C@H]1CCc2ccccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000225557901 426606051 /nfs/dbraw/zinc/60/60/51/426606051.db2.gz CYOYKAWTABBLQL-ZDUSSCGKSA-N -1 0 312.325 2.588 50 5 DFBARM COc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000096920006 295063013 /nfs/dbraw/zinc/06/30/13/295063013.db2.gz AGYPOLYEHZFWKZ-DAXSKMNVSA-N -1 0 300.270 2.867 50 5 DFBARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000237060802 536465544 /nfs/dbraw/zinc/46/55/44/536465544.db2.gz PTOGWEHFZLOMOT-UHFFFAOYSA-N -1 0 314.297 2.565 50 5 DFBARM Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000004833194 181158656 /nfs/dbraw/zinc/15/86/56/181158656.db2.gz CDHHRGLIUNIEJQ-UHFFFAOYSA-N -1 0 316.313 2.935 50 5 DFBARM O=C(CCc1cccnc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000096502857 193673782 /nfs/dbraw/zinc/67/37/82/193673782.db2.gz AQXACVFJVKVPRN-UHFFFAOYSA-N -1 0 321.720 2.920 50 5 DFBARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004724936 304175541 /nfs/dbraw/zinc/17/55/41/304175541.db2.gz VIGYDMAWHBBEIT-RYUDHWBXSA-N -1 0 324.720 2.767 50 5 DFBARM CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OCc1ccccc1 ZINC000035324154 182771006 /nfs/dbraw/zinc/77/10/06/182771006.db2.gz XDQFGDRBMTXPFY-UHFFFAOYSA-N -1 0 322.342 2.545 50 5 in-vivo DFBARM O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cn1 ZINC000000296790 425550863 /nfs/dbraw/zinc/55/08/63/425550863.db2.gz FRJDGUABQNVISH-UHFFFAOYSA-N -1 0 321.676 2.594 50 5 DFBARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000002585862 425596841 /nfs/dbraw/zinc/59/68/41/425596841.db2.gz SAVFDQXYVJSWEN-SNVBAGLBSA-N -1 0 310.306 2.635 50 5 DFBARM O=C([O-])c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000034924681 425842730 /nfs/dbraw/zinc/84/27/30/425842730.db2.gz ATFCAZVCTUZJIS-UHFFFAOYSA-N -1 0 304.214 2.994 50 5 DFBARM CCc1cnc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000089289662 426285573 /nfs/dbraw/zinc/28/55/73/426285573.db2.gz GMAQEGAPOBDFPN-UHFFFAOYSA-N -1 0 321.358 2.592 50 5 DFBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000097112842 426450889 /nfs/dbraw/zinc/45/08/89/426450889.db2.gz RGIUTCQUXQSWRO-UHFFFAOYSA-N -1 0 318.251 2.715 50 5 DFBARM CC(C)n1nccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097114585 426451741 /nfs/dbraw/zinc/45/17/41/426451741.db2.gz HRUTVDPEUQBKNH-UHFFFAOYSA-N -1 0 324.724 2.984 50 5 DFBARM O=C([O-])c1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000226762420 426622767 /nfs/dbraw/zinc/62/27/67/426622767.db2.gz PCDABTUOUYUXRX-UHFFFAOYSA-N -1 0 314.297 2.978 50 5 DFBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000119159876 304526108 /nfs/dbraw/zinc/52/61/08/304526108.db2.gz OSOYSUSQTRFCFK-BXUZGUMPSA-N -1 0 322.386 2.801 50 5 DFBARM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164413963 186158602 /nfs/dbraw/zinc/15/86/02/186158602.db2.gz DIFVETQLHSMSDV-JTQLQIEISA-N -1 0 301.302 2.529 50 5 DFBARM O=C([O-])C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000071979120 304036498 /nfs/dbraw/zinc/03/64/98/304036498.db2.gz WWXPRKHOMXCVGH-OAHLLOKOSA-N -1 0 311.297 2.987 50 5 DFBARM CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OC1CCCCC1 ZINC000003791739 181046272 /nfs/dbraw/zinc/04/62/72/181046272.db2.gz KTDZCOWXCWUPEO-UHFFFAOYSA-N -1 0 314.363 2.678 50 5 in-vivo DFBARM O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004725022 181142975 /nfs/dbraw/zinc/14/29/75/181142975.db2.gz VOUOQKLERFJPON-NEPJUHHUSA-N -1 0 324.720 2.767 50 5 DFBARM Cc1cc([O-])c([C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)c(=O)o1 ZINC000006008471 181305500 /nfs/dbraw/zinc/30/55/00/181305500.db2.gz OIHCXEOWVZECDH-LLVKDONJSA-N -1 0 309.705 2.716 50 5 DFBARM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000006510596 181347869 /nfs/dbraw/zinc/34/78/69/181347869.db2.gz OTKYOUYXUDIGGX-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000006623253 181362380 /nfs/dbraw/zinc/36/23/80/181362380.db2.gz ZZAMFTUMTXWSFY-UHFFFAOYSA-N -1 0 322.342 2.718 50 5 DFBARM CN(C)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000170603143 399009934 /nfs/dbraw/zinc/00/99/34/399009934.db2.gz GOYHNYRZCVXQBM-UHFFFAOYSA-N -1 0 315.329 2.643 50 5 DFBARM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000093931010 193329637 /nfs/dbraw/zinc/32/96/37/193329637.db2.gz FPBGTYUEMNROID-UHFFFAOYSA-N -1 0 322.342 2.542 50 5 DFBARM O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000040566563 304184065 /nfs/dbraw/zinc/18/40/65/304184065.db2.gz MDLFKEHLYDIDFI-QMMMGPOBSA-N -1 0 318.251 2.915 50 5 DFBARM Cc1ccc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000000190311 425543842 /nfs/dbraw/zinc/54/38/42/425543842.db2.gz ITGWLVOTIADMET-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM O=C([O-])c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002859191 425604834 /nfs/dbraw/zinc/60/48/34/425604834.db2.gz LHRSFTYNBPGENY-UHFFFAOYSA-N -1 0 301.258 2.937 50 5 DFBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000007405083 425644025 /nfs/dbraw/zinc/64/40/25/425644025.db2.gz OKBWVRLXCKPHIP-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM O=c1c2cc(Cl)ccc2nc(-c2ccc([N+](=O)[O-])cc2)n1[O-] ZINC000006883679 425631090 /nfs/dbraw/zinc/63/10/90/425631090.db2.gz NXWSVJJVNIFUPP-UHFFFAOYSA-N -1 0 317.688 2.862 50 5 DFBARM O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000012679617 425734422 /nfs/dbraw/zinc/73/44/22/425734422.db2.gz ZQCVFIMSWLYOIS-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM O=C([O-])/C(=C/c1ccc([N+](=O)[O-])s1)NC(=O)c1ccccc1 ZINC000033305663 425841796 /nfs/dbraw/zinc/84/17/96/425841796.db2.gz RCAUPMFNUKOWRC-FLIBITNWSA-N -1 0 318.310 2.512 50 5 DFBARM COc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc(OC)c1 ZINC000035307862 425844066 /nfs/dbraw/zinc/84/40/66/425844066.db2.gz FCUCWYPIEYLNRI-UHFFFAOYSA-N -1 0 318.285 2.570 50 5 DFBARM O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC000104228760 425961205 /nfs/dbraw/zinc/96/12/05/425961205.db2.gz VTINJVDCHSVZRA-UHFFFAOYSA-N -1 0 305.206 2.550 50 5 DFBARM CCCO[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164579474 426115137 /nfs/dbraw/zinc/11/51/37/426115137.db2.gz OXOASEQDIHKPHE-CYBMUJFWSA-N -1 0 322.361 2.722 50 5 DFBARM CO[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000166141230 426125780 /nfs/dbraw/zinc/12/57/80/426125780.db2.gz ZPUFHSWYZNMKFQ-CQSZACIVSA-N -1 0 302.286 2.627 50 5 DFBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccncc1)C1CC1 ZINC000130438012 426159368 /nfs/dbraw/zinc/15/93/68/426159368.db2.gz BSFIDRDNLIUAFL-UHFFFAOYSA-N -1 0 313.313 2.500 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(C(F)(F)F)CC1 ZINC000097163857 426455915 /nfs/dbraw/zinc/45/59/15/426455915.db2.gz IVLJJTZMEIASMZ-UHFFFAOYSA-N -1 0 318.251 2.715 50 5 DFBARM Cc1noc(/C=C/c2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000220970099 426576644 /nfs/dbraw/zinc/57/66/44/426576644.db2.gz NUQASGGGNJCQIF-QPJJXVBHSA-N -1 0 304.258 2.525 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CC2)c2ccccc21 ZINC000096417858 304528827 /nfs/dbraw/zinc/52/88/27/304528827.db2.gz VLFRPHYUJQZSIU-UHFFFAOYSA-N -1 0 310.309 2.992 50 5 DFBARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000013467738 301641435 /nfs/dbraw/zinc/64/14/35/301641435.db2.gz UEXKHZZFXLMYOJ-GHMZBOCLSA-N -1 0 304.302 2.509 50 5 DFBARM Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)[O-])c12 ZINC000004294508 302789577 /nfs/dbraw/zinc/78/95/77/302789577.db2.gz YOWBTPGRPOSMEB-UHFFFAOYSA-N -1 0 312.285 2.550 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1c1ccccn1 ZINC000169961766 563901895 /nfs/dbraw/zinc/90/18/95/563901895.db2.gz GTUALHDEDCDTOK-CYBMUJFWSA-N -1 0 313.313 2.673 50 5 DFBARM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000170077705 197767198 /nfs/dbraw/zinc/76/71/98/197767198.db2.gz CWXHDVPFQOZYHN-NSHDSACASA-N -1 0 315.329 2.919 50 5 DFBARM CCOc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000003991802 181060374 /nfs/dbraw/zinc/06/03/74/181060374.db2.gz XCMIDOFYXWXBFO-UHFFFAOYSA-N -1 0 322.342 2.794 50 5 DFBARM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004578335 181126754 /nfs/dbraw/zinc/12/67/54/181126754.db2.gz DTYXDNUZHAMWQV-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM O=C([O-])c1c(C(=O)Nc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000004744999 181146718 /nfs/dbraw/zinc/14/67/18/181146718.db2.gz LWSJSIAAPCLKGO-UHFFFAOYSA-N -1 0 304.233 2.684 50 5 DFBARM O=C([O-])c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004892441 181168397 /nfs/dbraw/zinc/16/83/97/181168397.db2.gz UQCVAAQBGNNPOX-UHFFFAOYSA-N -1 0 301.258 2.937 50 5 DFBARM COc1cc(CN2CCc3ccccc3C2)cc([N+](=O)[O-])c1[O-] ZINC000004990237 181185987 /nfs/dbraw/zinc/18/59/87/181185987.db2.gz VKHKAJWKEDGEPV-UHFFFAOYSA-N -1 0 314.341 2.867 50 5 DFBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000005068832 181200337 /nfs/dbraw/zinc/20/03/37/181200337.db2.gz NSPPABOGLBTHMO-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM O=C([O-])[C@H]1CS[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000005772188 181282369 /nfs/dbraw/zinc/28/23/69/181282369.db2.gz CXEPVJPUZWVNTN-NOZJJQNGSA-N -1 0 320.326 2.643 50 5 DFBARM O=C(Cc1ccccc1O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000095992851 193482343 /nfs/dbraw/zinc/48/23/43/193482343.db2.gz JFYAFCABEYOPPJ-UHFFFAOYSA-N -1 0 322.704 2.841 50 5 DFBARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000002572732 425597605 /nfs/dbraw/zinc/59/76/05/425597605.db2.gz HTDDLFNQWIQXQX-LLVKDONJSA-N -1 0 324.333 2.505 50 5 DFBARM O=[N+]([O-])c1ccc([C@H](NCc2ccccc2)[P@](=O)([O-])O)cc1 ZINC000012949530 425744093 /nfs/dbraw/zinc/74/40/93/425744093.db2.gz MNUXVJVGJZPLNT-CQSZACIVSA-N -1 0 322.257 2.561 50 5 DFBARM CC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000109017842 426026795 /nfs/dbraw/zinc/02/67/95/426026795.db2.gz ZSWFKCZWLZRRJR-OAHLLOKOSA-N -1 0 311.293 2.866 50 5 DFBARM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)c1cccnc1 ZINC000097052602 426443730 /nfs/dbraw/zinc/44/37/30/426443730.db2.gz FGFJDMWUMWODLH-LLVKDONJSA-N -1 0 315.329 2.919 50 5 DFBARM CC(C)(C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000057294252 278368658 /nfs/dbraw/zinc/36/86/58/278368658.db2.gz RJZJAFGECSUPLR-UHFFFAOYSA-N -1 0 317.139 2.591 50 5 DFBARM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004148334 295163791 /nfs/dbraw/zinc/16/37/91/295163791.db2.gz AIADJAOLOVAOAW-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM COc1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000096893582 295282366 /nfs/dbraw/zinc/28/23/66/295282366.db2.gz NUNNKFLHTAEORD-WAYWQWQTSA-N -1 0 300.270 2.867 50 5 DFBARM Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000038646 300978453 /nfs/dbraw/zinc/97/84/53/300978453.db2.gz FXXSORVGKIPXPK-MNOVXSKESA-N -1 0 306.318 2.733 50 5 DFBARM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001078498 301155039 /nfs/dbraw/zinc/15/50/39/301155039.db2.gz SVQJUIMQJOUBMQ-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])cc1 ZINC000003149529 301644436 /nfs/dbraw/zinc/64/44/36/301644436.db2.gz KYEMGSVVAZJBLL-UHFFFAOYSA-N -1 0 317.257 2.769 50 5 DFBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccn2)c([N+](=O)[O-])c1 ZINC000017413952 304801088 /nfs/dbraw/zinc/80/10/88/304801088.db2.gz DIPBIKKKLNWSEW-UHFFFAOYSA-N -1 0 305.206 2.550 50 5 DFBARM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](C)c1cccnc1 ZINC000096406933 337381799 /nfs/dbraw/zinc/38/17/99/337381799.db2.gz CFUPUAQETSHOJI-NSHDSACASA-N -1 0 315.329 2.919 50 5 DFBARM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1c(C)noc1C ZINC000097097557 337382098 /nfs/dbraw/zinc/38/20/98/337382098.db2.gz TWVWWCNIBJUJRT-LBPRGKRZSA-N -1 0 319.317 2.786 50 5 DFBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccn(C2CCCC2)n1 ZINC000092546542 185325290 /nfs/dbraw/zinc/32/52/90/185325290.db2.gz IKEQRCXVKXNQHL-UHFFFAOYSA-N -1 0 316.317 2.864 50 5 DFBARM C[C@H](c1cccnc1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164414098 186158328 /nfs/dbraw/zinc/15/83/28/186158328.db2.gz DIFVETQLHSMSDV-SNVBAGLBSA-N -1 0 301.302 2.529 50 5 DFBARM Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000000473046 180802211 /nfs/dbraw/zinc/80/22/11/180802211.db2.gz VMQDXYSVTMRXJI-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM O=C([O-])c1cccc(Nc2ccc3nonc3c2[N+](=O)[O-])c1 ZINC000003879034 181051400 /nfs/dbraw/zinc/05/14/00/181051400.db2.gz TWWAXCDHNOXHEL-UHFFFAOYSA-N -1 0 300.230 2.573 50 5 DFBARM O=C([N-]c1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])s1 ZINC000004107268 181074375 /nfs/dbraw/zinc/07/43/75/181074375.db2.gz LBUKJOBZESCKJM-UHFFFAOYSA-N -1 0 306.259 2.552 50 5 DFBARM O=C([O-])c1cccc(Nc2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000004894760 181169044 /nfs/dbraw/zinc/16/90/44/181169044.db2.gz BQPJEGXWPAKZPN-UHFFFAOYSA-N -1 0 300.230 2.573 50 5 DFBARM CCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005392665 181238687 /nfs/dbraw/zinc/23/86/87/181238687.db2.gz KUUNKISBQNZXQY-UHFFFAOYSA-N -1 0 306.343 2.958 50 5 DFBARM O=C(Nc1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000092049072 193148491 /nfs/dbraw/zinc/14/84/91/193148491.db2.gz PTMWVBLAOVYUDD-UHFFFAOYSA-N -1 0 300.270 2.583 50 5 DFBARM C[C@@H]1CCCCN1c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000026508780 296320997 /nfs/dbraw/zinc/32/09/97/296320997.db2.gz FLHJAAVNTLOAEJ-MRVPVSSYSA-N -1 0 309.278 2.580 50 5 DFBARM O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(F)cc1 ZINC000000137675 304265351 /nfs/dbraw/zinc/26/53/51/304265351.db2.gz IXWXGAMATWJSHH-UHFFFAOYSA-N -1 0 304.233 2.684 50 5 DFBARM COc1ccc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000000189923 425543800 /nfs/dbraw/zinc/54/38/00/425543800.db2.gz CXLUKGYIQDHCDW-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000000188943 425543938 /nfs/dbraw/zinc/54/39/38/425543938.db2.gz MKEWTDTWTGGZSN-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM O=c1nc2n(-c3ccccc3)c3cccc(Cl)c3cc-2c(=O)[n-]1 ZINC000009334535 425685848 /nfs/dbraw/zinc/68/58/48/425685848.db2.gz UEXSHDRKBNVHEA-UHFFFAOYSA-N -1 0 323.739 2.832 50 5 DFBARM C[C@@H](c1ccccn1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130454210 426160108 /nfs/dbraw/zinc/16/01/08/426160108.db2.gz KMTJRMKXBAWNMG-JTQLQIEISA-N -1 0 301.302 2.529 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(Cc1cccnc1)C1CC1 ZINC000122907359 426403115 /nfs/dbraw/zinc/40/31/15/426403115.db2.gz HTDAEYFBXFZMPJ-UHFFFAOYSA-N -1 0 313.313 2.500 50 5 DFBARM Cc1ccc2c(c1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187151711 301895176 /nfs/dbraw/zinc/89/51/76/301895176.db2.gz GJIDQMALLMPANM-UHFFFAOYSA-N -1 0 314.297 2.648 50 5 DFBARM O=c1[nH]c2ccccc2c2oc(=O)c(Cc3ccccc3)c([O-])c12 ZINC000000068322 304814567 /nfs/dbraw/zinc/81/45/67/304814567.db2.gz BRWQHUGAQAWOPS-UHFFFAOYSA-N -1 0 319.316 2.931 50 5 DFBARM Cc1nc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)s1 ZINC000166194489 323216020 /nfs/dbraw/zinc/21/60/20/323216020.db2.gz NLZGCVVTRXGQPR-UHFFFAOYSA-N -1 0 307.331 2.555 50 5 DFBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2nccs2)c([N+](=O)[O-])c1 ZINC000104233858 336223231 /nfs/dbraw/zinc/22/32/31/336223231.db2.gz CGNGYJCZWPVCSU-UHFFFAOYSA-N -1 0 311.235 2.611 50 5 DFBARM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000096012352 303984937 /nfs/dbraw/zinc/98/49/37/303984937.db2.gz RBPCODPSXQVBIZ-AWEZNQCLSA-N -1 0 316.288 2.857 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000034370509 398548590 /nfs/dbraw/zinc/54/85/90/398548590.db2.gz MDPOBYVJWFEBRC-UHFFFAOYSA-N -1 0 303.230 2.945 50 5 DFBARM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000005883954 181293193 /nfs/dbraw/zinc/29/31/93/181293193.db2.gz QQBMMPCMNXARBZ-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM O=C([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000001312733 295990350 /nfs/dbraw/zinc/99/03/50/295990350.db2.gz VIXSKCZNSAEUGB-UHFFFAOYSA-N -1 0 304.214 2.994 50 5 DFBARM O=C([O-])[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000003864755 304110527 /nfs/dbraw/zinc/11/05/27/304110527.db2.gz OCAPOQDIRKGNKV-MRVPVSSYSA-N -1 0 318.251 2.915 50 5 DFBARM COc1cc(C(=O)[O-])c(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000043827884 183387202 /nfs/dbraw/zinc/38/72/02/183387202.db2.gz RBJBSBKZKPBLTP-UHFFFAOYSA-N -1 0 303.270 2.881 50 5 DFBARM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])C1(C)C ZINC000158657537 286244986 /nfs/dbraw/zinc/24/49/86/286244986.db2.gz JVDBQHBLHIEIRE-CHWSQXEVSA-N -1 0 322.361 2.576 50 5 DFBARM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000304325 425552682 /nfs/dbraw/zinc/55/26/82/425552682.db2.gz KWAAPLPYCNOUMB-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM O=C1c2cc([N+](=O)[O-])ccc2C2=C([O-])c3cc([N+](=O)[O-])ccc3[C@@H]12 ZINC000025760628 425807927 /nfs/dbraw/zinc/80/79/27/425807927.db2.gz BXJKCKOGMALGKM-OKILXGFUSA-N -1 0 324.248 2.763 50 5 DFBARM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(OC)c1 ZINC000035307616 425844105 /nfs/dbraw/zinc/84/41/05/425844105.db2.gz ZQDHOGAWNWMEAL-UHFFFAOYSA-N -1 0 318.285 2.570 50 5 DFBARM CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1OC ZINC000151045889 426274185 /nfs/dbraw/zinc/27/41/85/426274185.db2.gz ZVCWORXDBSWQQF-ZIAGYGMSSA-N -1 0 322.361 2.624 50 5 DFBARM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000151045936 426274210 /nfs/dbraw/zinc/27/42/10/426274210.db2.gz ZVCWORXDBSWQQF-UONOGXRCSA-N -1 0 322.361 2.624 50 5 DFBARM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164408398 323216040 /nfs/dbraw/zinc/21/60/40/323216040.db2.gz GRWYOFZRONNDJA-JTQLQIEISA-N -1 0 301.302 2.529 50 5 DFBARM O=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2[N+](=O)[O-])n1 ZINC000536957097 398363668 /nfs/dbraw/zinc/36/36/68/398363668.db2.gz BJQZMYXSGWEQIO-UHFFFAOYSA-N -1 0 310.269 2.541 50 5 DFBARM O=C([O-])c1ccccc1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000003879015 181051607 /nfs/dbraw/zinc/05/16/07/181051607.db2.gz OQGYGSMIHWVJIQ-UHFFFAOYSA-N -1 0 300.230 2.573 50 5 DFBARM Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000004794897 181152624 /nfs/dbraw/zinc/15/26/24/181152624.db2.gz BVOFBRMMFNPNAX-VXGBXAGGSA-N -1 0 306.318 2.733 50 5 DFBARM CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000004833532 181159216 /nfs/dbraw/zinc/15/92/16/181159216.db2.gz PPDSRPBLJRGXMH-UHFFFAOYSA-N -1 0 302.286 2.951 50 5 DFBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000004834741 181159552 /nfs/dbraw/zinc/15/95/52/181159552.db2.gz UXRMKHHJJPJNBI-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000038841 425531567 /nfs/dbraw/zinc/53/15/67/425531567.db2.gz XMVPRRHIBCIWLX-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CCc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000035867458 425844734 /nfs/dbraw/zinc/84/47/34/425844734.db2.gz PCHSDVFDQLQBDM-UHFFFAOYSA-N -1 0 316.313 2.880 50 5 DFBARM C[C@H](c1ccccn1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130454397 426160203 /nfs/dbraw/zinc/16/02/03/426160203.db2.gz KMTJRMKXBAWNMG-SNVBAGLBSA-N -1 0 301.302 2.529 50 5 DFBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1F ZINC000095978085 426381220 /nfs/dbraw/zinc/38/12/20/426381220.db2.gz CVQBMEKZUNBYNF-UHFFFAOYSA-N -1 0 302.308 2.596 50 5 DFBARM CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nccs1 ZINC000097080107 426445697 /nfs/dbraw/zinc/44/56/97/426445697.db2.gz AEBRLVHTSSZLAO-AWEZNQCLSA-N -1 0 321.358 2.812 50 5 DFBARM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(F)c2)c(C)o1 ZINC000097162907 426456546 /nfs/dbraw/zinc/45/65/46/426456546.db2.gz IZGUDQGPJFYLLS-UHFFFAOYSA-N -1 0 314.294 2.745 50 5 DFBARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000335576 295107038 /nfs/dbraw/zinc/10/70/38/295107038.db2.gz WBHPLIJNORZFFM-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000119159785 304526101 /nfs/dbraw/zinc/52/61/01/304526101.db2.gz OSOYSUSQTRFCFK-RISCZKNCSA-N -1 0 322.386 2.801 50 5 DFBARM O=C(Cc1c(F)cccc1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166140449 323216046 /nfs/dbraw/zinc/21/60/46/323216046.db2.gz OYVFBSRQZNWBCX-UHFFFAOYSA-N -1 0 308.240 2.760 50 5 DFBARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000017032076 337352009 /nfs/dbraw/zinc/35/20/09/337352009.db2.gz UMTZIGJKVNAMAJ-NXEZZACHSA-N -1 0 310.281 2.563 50 5 DFBARM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC000097237114 398667121 /nfs/dbraw/zinc/66/71/21/398667121.db2.gz OATGUMLDTVUJSX-VIFPVBQESA-N -1 0 306.343 2.895 50 5 DFBARM CC1=C(C)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000004651857 181132104 /nfs/dbraw/zinc/13/21/04/181132104.db2.gz GILTVGMGRNATNP-KBPBESRZSA-N -1 0 318.329 2.981 50 5 DFBARM O=C([O-])C[C@H](NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005158104 181212022 /nfs/dbraw/zinc/21/20/22/181212022.db2.gz DZXRFGNVEBDLQJ-AWEZNQCLSA-N -1 0 314.297 2.541 50 5 DFBARM COc1ccc([N-]S(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000005260057 181223648 /nfs/dbraw/zinc/22/36/48/181223648.db2.gz ZVHXPXQQHKTURT-UHFFFAOYSA-N -1 0 322.342 2.545 50 5 DFBARM O=C([O-])COc1cc(O)c2c(=O)c3cc(Cl)ccc3oc2c1 ZINC000005345498 181232259 /nfs/dbraw/zinc/23/22/59/181232259.db2.gz JJGNYINAFGVMAH-UHFFFAOYSA-N -1 0 320.684 2.769 50 5 DFBARM Cc1cc([O-])c([C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)c(=O)o1 ZINC000006008470 181305461 /nfs/dbraw/zinc/30/54/61/181305461.db2.gz OIHCXEOWVZECDH-NSHDSACASA-N -1 0 309.705 2.716 50 5 DFBARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017054514 304097622 /nfs/dbraw/zinc/09/76/22/304097622.db2.gz ZQNRZKWNLULXKS-GSNUKPDKSA-N -1 0 318.329 2.670 50 5 DFBARM O=[N+]([O-])c1cnc([N-]c2cccc3nsnc32)c([N+](=O)[O-])c1 ZINC000015684927 182012501 /nfs/dbraw/zinc/01/25/01/182012501.db2.gz ABXVTBBJEWIKOB-UHFFFAOYSA-N -1 0 318.274 2.646 50 5 DFBARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017054523 304174263 /nfs/dbraw/zinc/17/42/63/304174263.db2.gz ZQNRZKWNLULXKS-FEZLSPKCSA-N -1 0 318.329 2.670 50 5 DFBARM COc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000018076762 182092271 /nfs/dbraw/zinc/09/22/71/182092271.db2.gz RZMZRRVEFDATTJ-UHFFFAOYSA-N -1 0 316.313 2.581 50 5 DFBARM O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(Cl)cnn21 ZINC000020605853 182237856 /nfs/dbraw/zinc/23/78/56/182237856.db2.gz CBNXURXLKRLPSV-UHFFFAOYSA-N -1 0 318.676 2.656 50 5 DFBARM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000000068359 425532877 /nfs/dbraw/zinc/53/28/77/425532877.db2.gz SFEZYRYSUPDEJL-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000000614206 425570507 /nfs/dbraw/zinc/57/05/07/425570507.db2.gz YGSSHPSVVCMZMS-UHFFFAOYSA-N -1 0 310.306 2.843 50 5 DFBARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000000613853 425570861 /nfs/dbraw/zinc/57/08/61/425570861.db2.gz CERASXSSRNLQKN-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccccc2[N+](=O)[O-])cc1 ZINC000001117111 425575692 /nfs/dbraw/zinc/57/56/92/425575692.db2.gz HXXULUUICRGFHW-UHFFFAOYSA-N -1 0 319.338 2.560 50 5 DFBARM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])c(C(F)(F)F)n2)c1 ZINC000002537851 425594497 /nfs/dbraw/zinc/59/44/97/425594497.db2.gz QLPYRINEACCJCJ-UHFFFAOYSA-N -1 0 315.207 2.557 50 5 DFBARM O=[N+]([O-])c1cc([O-])cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002549461 425594554 /nfs/dbraw/zinc/59/45/54/425594554.db2.gz CSMIFYAGNVYZHC-UHFFFAOYSA-N -1 0 313.718 2.787 50 5 DFBARM O=C([O-])c1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000003879016 425617329 /nfs/dbraw/zinc/61/73/29/425617329.db2.gz ZEIZFLAEFWOEKQ-UHFFFAOYSA-N -1 0 300.230 2.573 50 5 DFBARM O=C(NCCSc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000014015443 425764031 /nfs/dbraw/zinc/76/40/31/425764031.db2.gz AXSVQHIIEANGOT-UHFFFAOYSA-N -1 0 318.354 2.823 50 5 DFBARM COc1ccc2c(c1)CCN2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164421227 426113364 /nfs/dbraw/zinc/11/33/64/426113364.db2.gz NBEAGXSTGVAEIB-UHFFFAOYSA-N -1 0 314.297 2.512 50 5 DFBARM C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nccs1 ZINC000123585742 426441428 /nfs/dbraw/zinc/44/14/28/426441428.db2.gz AZXREKDZZHDBLW-VIFPVBQESA-N -1 0 321.358 2.633 50 5 DFBARM Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000225404312 201703334 /nfs/dbraw/zinc/70/33/34/201703334.db2.gz PPITVMRUTRQGLN-RNCFNFMXSA-N -1 0 321.333 2.620 50 5 DFBARM CC[C@H](c1ccncc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000089947963 185270816 /nfs/dbraw/zinc/27/08/16/185270816.db2.gz MDFCHSGJJOPNRI-CYBMUJFWSA-N -1 0 315.329 2.919 50 5 DFBARM O=C([O-])[C@@H]1CS[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000005772186 181282098 /nfs/dbraw/zinc/28/20/98/181282098.db2.gz CXEPVJPUZWVNTN-TVQRCGJNSA-N -1 0 320.326 2.643 50 5 DFBARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006828723 304099559 /nfs/dbraw/zinc/09/95/59/304099559.db2.gz RJVVQUURVYDMTH-VHSXEESVSA-N -1 0 324.720 2.854 50 5 DFBARM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Nc1ccccc1 ZINC000096449979 193652166 /nfs/dbraw/zinc/65/21/66/193652166.db2.gz DOUSMKAKZHFAAK-LLVKDONJSA-N -1 0 315.329 2.531 50 5 DFBARM COc1cccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000039983758 183026535 /nfs/dbraw/zinc/02/65/35/183026535.db2.gz NUNNKFLHTAEORD-AATRIKPKSA-N -1 0 300.270 2.867 50 5 DFBARM COc1cc(C(=O)[O-])c(NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000068606591 425919176 /nfs/dbraw/zinc/91/91/76/425919176.db2.gz WNIONNIJAPFSJY-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1 ZINC000003149530 425610344 /nfs/dbraw/zinc/61/03/44/425610344.db2.gz AJZIVSSPIIQMMD-UHFFFAOYSA-N -1 0 317.257 2.769 50 5 DFBARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1cc([N+](=O)[O-])cn1)(C3)C2 ZINC000002732113 425599986 /nfs/dbraw/zinc/59/99/86/425599986.db2.gz QRYFBYMRTXTGHG-MPLXBHQASA-N -1 0 305.334 2.562 50 5 DFBARM O=C(NCC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000035271375 425843640 /nfs/dbraw/zinc/84/36/40/425843640.db2.gz YNIDLRSRHGYGIO-UHFFFAOYSA-N -1 0 312.325 2.762 50 5 DFBARM O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000104132833 425958629 /nfs/dbraw/zinc/95/86/29/425958629.db2.gz WTURDKFQNAEAJK-UHFFFAOYSA-N -1 0 314.253 2.959 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005618206 301863526 /nfs/dbraw/zinc/86/35/26/301863526.db2.gz IOCVTBDTUSMFMC-RYUDHWBXSA-N -1 0 304.302 2.509 50 5 DFBARM CCCCn1ncc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000097374950 323209362 /nfs/dbraw/zinc/20/93/62/323209362.db2.gz KOGGHCWWXSXTQI-UHFFFAOYSA-N -1 0 318.333 2.858 50 5 DFBARM CC(C)N(Cc1cccnc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097374574 323209561 /nfs/dbraw/zinc/20/95/61/323209561.db2.gz MMXRSVPAOCBQGZ-UHFFFAOYSA-N -1 0 315.329 2.746 50 5 DFBARM COc1ccccc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000096920008 185391536 /nfs/dbraw/zinc/39/15/36/185391536.db2.gz MKKMWMGFLLXJRN-SREVYHEPSA-N -1 0 300.270 2.867 50 5 DFBARM O=C([O-])C1=NN(c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000071979026 304036371 /nfs/dbraw/zinc/03/63/71/304036371.db2.gz UDGGDSXHFPMUCZ-OAHLLOKOSA-N -1 0 311.297 2.987 50 5 DFBARM O=C([O-])CCNc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003878782 181051448 /nfs/dbraw/zinc/05/14/48/181051448.db2.gz UPJJKUWNMCHOBI-UHFFFAOYSA-N -1 0 305.246 2.543 50 5 DFBARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004641474 181131379 /nfs/dbraw/zinc/13/13/79/181131379.db2.gz VOUOQKLERFJPON-VXGBXAGGSA-N -1 0 324.720 2.767 50 5 DFBARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004901875 181170114 /nfs/dbraw/zinc/17/01/14/181170114.db2.gz BNTBMODNVKLBDI-NXEZZACHSA-N -1 0 324.720 2.854 50 5 DFBARM O=C([O-])C[C@@H](NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005158118 181212199 /nfs/dbraw/zinc/21/21/99/181212199.db2.gz DZXRFGNVEBDLQJ-CQSZACIVSA-N -1 0 314.297 2.541 50 5 DFBARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004725021 304175516 /nfs/dbraw/zinc/17/55/16/304175516.db2.gz VOUOQKLERFJPON-RYUDHWBXSA-N -1 0 324.720 2.767 50 5 DFBARM O=C([O-])c1nc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000026467397 304282842 /nfs/dbraw/zinc/28/28/42/304282842.db2.gz MJGGJVZOPPKPOZ-UHFFFAOYSA-N -1 0 310.269 2.541 50 5 DFBARM O=c1c2ccc(Cl)cc2nc(-c2ccc([N+](=O)[O-])cc2)n1[O-] ZINC000001401796 425580224 /nfs/dbraw/zinc/58/02/24/425580224.db2.gz BGVCMWMQKJAGHT-UHFFFAOYSA-N -1 0 317.688 2.862 50 5 DFBARM CCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005596540 425625196 /nfs/dbraw/zinc/62/51/96/425625196.db2.gz QIVUKYXJVZGOBR-UKRRQHHQSA-N -1 0 320.345 2.759 50 5 DFBARM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164232049 426112880 /nfs/dbraw/zinc/11/28/80/426112880.db2.gz XVVGKTJDVGRTOY-IAQYHMDHSA-N -1 0 322.361 2.626 50 5 DFBARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003128528 278252986 /nfs/dbraw/zinc/25/29/86/278252986.db2.gz AWFKJLWKGJXRCM-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM CC1=C(C)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000004651859 281664248 /nfs/dbraw/zinc/66/42/48/281664248.db2.gz GILTVGMGRNATNP-UONOGXRCSA-N -1 0 318.329 2.981 50 5 DFBARM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000000289545 301645215 /nfs/dbraw/zinc/64/52/15/301645215.db2.gz WMIINHAZQPGWSJ-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000096012351 303895566 /nfs/dbraw/zinc/89/55/66/303895566.db2.gz RBPCODPSXQVBIZ-CQSZACIVSA-N -1 0 316.288 2.857 50 5 DFBARM O=C([O-])c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004892440 181168369 /nfs/dbraw/zinc/16/83/69/181168369.db2.gz WAMAJEDCQWPNLF-UHFFFAOYSA-N -1 0 301.258 2.937 50 5 DFBARM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])C1(C)C ZINC000158657251 286330989 /nfs/dbraw/zinc/33/09/89/286330989.db2.gz JVDBQHBLHIEIRE-QWHCGFSZSA-N -1 0 322.361 2.576 50 5 DFBARM Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000000190182 425543886 /nfs/dbraw/zinc/54/38/86/425543886.db2.gz DWDCRLMULRSLDW-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000000253669 425548744 /nfs/dbraw/zinc/54/87/44/425548744.db2.gz PMIDROXZNFCCLL-VXGBXAGGSA-N -1 0 304.302 2.509 50 5 DFBARM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1 ZINC000035587989 425844596 /nfs/dbraw/zinc/84/45/96/425844596.db2.gz ZRPLRIRQCLLRLQ-UHFFFAOYSA-N -1 0 310.306 2.676 50 5 DFBARM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000048367304 425874926 /nfs/dbraw/zinc/87/49/26/425874926.db2.gz PEFOVGUQFXJGGA-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000089531345 426295811 /nfs/dbraw/zinc/29/58/11/426295811.db2.gz VDFUCQPJXCTVLG-CQSZACIVSA-N -1 0 302.286 2.627 50 5 DFBARM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Nc1ccccc1 ZINC000096449978 426429133 /nfs/dbraw/zinc/42/91/33/426429133.db2.gz DOUSMKAKZHFAAK-NSHDSACASA-N -1 0 315.329 2.531 50 5 DFBARM Cc1n[nH]c2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc12 ZINC000097374770 426465337 /nfs/dbraw/zinc/46/53/37/426465337.db2.gz MHXOKZXDAQRAKO-UHFFFAOYSA-N -1 0 312.285 2.737 50 5 DFBARM O=[N+]([O-])c1ccc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 ZINC000100004378 426480567 /nfs/dbraw/zinc/48/05/67/426480567.db2.gz JYKKIAIZBAHDKX-UHFFFAOYSA-N -1 0 320.217 2.860 50 5 DFBARM Cc1ccc(C)c(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)c1 ZINC000000428959 301542010 /nfs/dbraw/zinc/54/20/10/301542010.db2.gz BNHGZIKQZWRBAP-UHFFFAOYSA-N -1 0 317.348 2.796 50 5 DFBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000074842346 191370783 /nfs/dbraw/zinc/37/07/83/191370783.db2.gz BWYDBOXWRVMFEH-UHFFFAOYSA-N -1 0 317.326 2.877 50 5 DFBARM C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000005675181 181270602 /nfs/dbraw/zinc/27/06/02/181270602.db2.gz FQTBNHNSLSVAIQ-SKDRFNHKSA-N -1 0 324.333 2.676 50 5 DFBARM O=C([O-])[C@H]1CS[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000005772192 181281977 /nfs/dbraw/zinc/28/19/77/181281977.db2.gz CXEPVJPUZWVNTN-RNCFNFMXSA-N -1 0 320.326 2.643 50 5 DFBARM C[C@@H](c1ccncc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000120943858 195268667 /nfs/dbraw/zinc/26/86/67/195268667.db2.gz CPAGVPZPAPIFPD-JTQLQIEISA-N -1 0 301.302 2.529 50 5 DFBARM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1O ZINC000055616396 425894279 /nfs/dbraw/zinc/89/42/79/425894279.db2.gz RWKYNUVXAAOTRF-UHFFFAOYSA-N -1 0 322.342 2.718 50 5 DFBARM Nc1nc(-c2ccccc2[O-])nc2c3ccccc3oc(=O)c12 ZINC000000035032 425530016 /nfs/dbraw/zinc/53/00/16/425530016.db2.gz PVDULHAXFLOYGT-UHFFFAOYSA-N -1 0 305.293 2.691 50 5 DFBARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000180253 425541817 /nfs/dbraw/zinc/54/18/17/425541817.db2.gz BXAFWSDZHMBUEV-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000180198 425541853 /nfs/dbraw/zinc/54/18/53/425541853.db2.gz FAHWFTCDFDDNQD-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000434960 425560213 /nfs/dbraw/zinc/56/02/13/425560213.db2.gz YVZHLKMENWFBAI-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CCc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000473565 425562807 /nfs/dbraw/zinc/56/28/07/425562807.db2.gz CBDQJUUHMZJVQA-UHFFFAOYSA-N -1 0 306.343 2.958 50 5 DFBARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000000253670 425547868 /nfs/dbraw/zinc/54/78/68/425547868.db2.gz PMIDROXZNFCCLL-RYUDHWBXSA-N -1 0 304.302 2.509 50 5 DFBARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000008720237 425674245 /nfs/dbraw/zinc/67/42/45/425674245.db2.gz FWDAWTQBPJHEOR-UHFFFAOYSA-N -1 0 310.306 2.843 50 5 DFBARM Cc1cccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)c1C ZINC000008856385 425677464 /nfs/dbraw/zinc/67/74/64/425677464.db2.gz YNCLZVOSYFEFHJ-UHFFFAOYSA-N -1 0 317.348 2.796 50 5 DFBARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000006856600 425630223 /nfs/dbraw/zinc/63/02/23/425630223.db2.gz HFHBTHIQCKLBSF-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1 ZINC000007363542 425642529 /nfs/dbraw/zinc/64/25/29/425642529.db2.gz GGDMNEAXEXIIQW-UHFFFAOYSA-N -1 0 319.298 2.537 50 5 DFBARM CCCc1cc([N+](=O)[O-])c([O-])c2c(=O)cc(C(=O)OCC)oc12 ZINC000035587091 425844652 /nfs/dbraw/zinc/84/46/52/425844652.db2.gz BZDOLPWPMDFJKS-UHFFFAOYSA-N -1 0 321.285 2.536 50 5 DFBARM O=[N+]([O-])c1c[n-]c(=NOCc2ccccc2)nc1NC1CC1 ZINC000069418122 425938405 /nfs/dbraw/zinc/93/84/05/425938405.db2.gz ZNZZNZKCAVDMOI-UHFFFAOYSA-N -1 0 301.306 2.503 50 5 DFBARM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164232135 426113209 /nfs/dbraw/zinc/11/32/09/426113209.db2.gz XVVGKTJDVGRTOY-XHDPSFHLSA-N -1 0 322.361 2.626 50 5 DFBARM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166193114 426126001 /nfs/dbraw/zinc/12/60/01/426126001.db2.gz WXVKNURWMZKPHR-HZMBPMFUSA-N -1 0 308.334 2.834 50 5 DFBARM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)n1 ZINC000128735040 426130302 /nfs/dbraw/zinc/13/03/02/426130302.db2.gz RNEGQBPTZYMQOS-UHFFFAOYSA-N -1 0 321.358 2.716 50 5 DFBARM CCCO[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000134180933 426186376 /nfs/dbraw/zinc/18/63/76/426186376.db2.gz RNKCXJCFFOFUKN-LBPRGKRZSA-N -1 0 322.361 2.722 50 5 DFBARM COc1cccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2OC)c1 ZINC000085210170 426248754 /nfs/dbraw/zinc/24/87/54/426248754.db2.gz PGSQOXHXJIJTGB-UHFFFAOYSA-N -1 0 303.270 2.977 50 5 DFBARM COc1cc(CNc2ccc(C)nc2C)cc([N+](=O)[O-])c1[O-] ZINC000119056243 426258494 /nfs/dbraw/zinc/25/84/94/426258494.db2.gz KUWDIPWGZUISJG-UHFFFAOYSA-N -1 0 303.318 2.933 50 5 DFBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000119159590 426267362 /nfs/dbraw/zinc/26/73/62/426267362.db2.gz OSOYSUSQTRFCFK-FZMZJTMJSA-N -1 0 322.386 2.801 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](c2ccco2)C1 ZINC000095395284 185352447 /nfs/dbraw/zinc/35/24/47/185352447.db2.gz PHYQNABCTVOGTI-LLVKDONJSA-N -1 0 302.286 2.523 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](c2ccco2)C1 ZINC000095395285 185352695 /nfs/dbraw/zinc/35/26/95/185352695.db2.gz PHYQNABCTVOGTI-NSHDSACASA-N -1 0 302.286 2.523 50 5 DFBARM CN(OCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000121209729 185765077 /nfs/dbraw/zinc/76/50/77/185765077.db2.gz PYKZSRATCAOVRB-UHFFFAOYSA-N -1 0 302.286 2.504 50 5 DFBARM CN(C)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000003887868 181052728 /nfs/dbraw/zinc/05/27/28/181052728.db2.gz SXDFWKNQEKZQCQ-UHFFFAOYSA-N -1 0 314.297 2.590 50 5 DFBARM COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004644633 181131721 /nfs/dbraw/zinc/13/17/21/181131721.db2.gz DZVDPBGOKSKDAU-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM O=C(COc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000004954250 181178972 /nfs/dbraw/zinc/17/89/72/181178972.db2.gz IRXVWKLUESLRQS-UHFFFAOYSA-N -1 0 322.704 2.971 50 5 DFBARM O=C([O-])C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000005024127 181192193 /nfs/dbraw/zinc/19/21/93/181192193.db2.gz WDCNJBCDENQSBI-CQSZACIVSA-N -1 0 314.297 2.541 50 5 DFBARM Cc1cc(C)cc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)c1 ZINC000075259653 398793872 /nfs/dbraw/zinc/79/38/72/398793872.db2.gz ACZXRCWSXIBPHL-UHFFFAOYSA-N -1 0 317.348 2.796 50 5 DFBARM CCCO[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000134180762 283406570 /nfs/dbraw/zinc/40/65/70/283406570.db2.gz RNKCXJCFFOFUKN-GFCCVEGCSA-N -1 0 322.361 2.722 50 5 DFBARM O=C([O-])[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004342770 304115228 /nfs/dbraw/zinc/11/52/28/304115228.db2.gz HCNDRCXDWXUIPG-VIFPVBQESA-N -1 0 304.224 2.667 50 5 DFBARM CN(C)c1ccccc1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000170603142 399010230 /nfs/dbraw/zinc/01/02/30/399010230.db2.gz JDWUCSRZXTZHKF-UHFFFAOYSA-N -1 0 315.329 2.643 50 5 DFBARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004725020 304175877 /nfs/dbraw/zinc/17/58/77/304175877.db2.gz VOUOQKLERFJPON-NWDGAFQWSA-N -1 0 324.720 2.767 50 5 DFBARM CCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005596565 256519228 /nfs/dbraw/zinc/51/92/28/256519228.db2.gz QIVUKYXJVZGOBR-DZGCQCFKSA-N -1 0 320.345 2.759 50 5 DFBARM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])c(C(F)(F)F)n2)cc1 ZINC000002537847 425595275 /nfs/dbraw/zinc/59/52/75/425595275.db2.gz NUZNEXWCYYQZTM-UHFFFAOYSA-N -1 0 315.207 2.557 50 5 DFBARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000013467739 425755227 /nfs/dbraw/zinc/75/52/27/425755227.db2.gz UEXKHZZFXLMYOJ-WDEREUQCSA-N -1 0 304.302 2.509 50 5 DFBARM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)c1cccnc1 ZINC000097052596 426443467 /nfs/dbraw/zinc/44/34/67/426443467.db2.gz FGFJDMWUMWODLH-NSHDSACASA-N -1 0 315.329 2.919 50 5 DFBARM C/C(=C\c1oc2ccc(O)cc2c1[N+](=O)[O-])NCCCC(=O)[O-] ZINC000101125148 277731337 /nfs/dbraw/zinc/73/13/37/277731337.db2.gz FCNCQTRUJNCCGE-VQHVLOKHSA-N -1 0 320.301 2.862 50 5 DFBARM Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000038643 300979872 /nfs/dbraw/zinc/97/98/72/300979872.db2.gz FXXSORVGKIPXPK-WDEREUQCSA-N -1 0 306.318 2.733 50 5 DFBARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000013467736 301641013 /nfs/dbraw/zinc/64/10/13/301641013.db2.gz UEXKHZZFXLMYOJ-MNOVXSKESA-N -1 0 304.302 2.509 50 5 DFBARM O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000123929344 303975063 /nfs/dbraw/zinc/97/50/63/303975063.db2.gz YSFFDABOZWRXPW-NSHDSACASA-N -1 0 320.345 2.522 50 5 DFBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000000168341 180713409 /nfs/dbraw/zinc/71/34/09/180713409.db2.gz IXHSRUCBXUGDEZ-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM Cc1ccccc1NC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000190699 180720468 /nfs/dbraw/zinc/72/04/68/180720468.db2.gz TVOMQGRTQSQGFY-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CC(=O)Nc1ccc([N-]c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003879138 181051852 /nfs/dbraw/zinc/05/18/52/181051852.db2.gz KWGDRKJMBQVMNC-UHFFFAOYSA-N -1 0 317.261 2.600 50 5 DFBARM Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000004794898 181152401 /nfs/dbraw/zinc/15/24/01/181152401.db2.gz BVOFBRMMFNPNAX-NWDGAFQWSA-N -1 0 306.318 2.733 50 5 DFBARM COCCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000095992848 193482638 /nfs/dbraw/zinc/48/26/38/193482638.db2.gz QPMOSNMKIQGEEX-UHFFFAOYSA-N -1 0 302.714 2.709 50 5 DFBARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000017032074 182070154 /nfs/dbraw/zinc/07/01/54/182070154.db2.gz UMTZIGJKVNAMAJ-UWVGGRQHSA-N -1 0 310.281 2.563 50 5 DFBARM O=C([O-])/C=C/C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000047977 425531981 /nfs/dbraw/zinc/53/19/81/425531981.db2.gz URZIPQUZRRJBQQ-MDZDMXLPSA-N -1 0 312.281 2.841 50 5 DFBARM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000000304174 425552483 /nfs/dbraw/zinc/55/24/83/425552483.db2.gz LUBWYNFIZIFRBV-UHFFFAOYSA-N -1 0 322.342 2.545 50 5 DFBARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000004651854 425619908 /nfs/dbraw/zinc/61/99/08/425619908.db2.gz GILTVGMGRNATNP-KGLIPLIRSA-N -1 0 318.329 2.981 50 5 DFBARM C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035877056 425844698 /nfs/dbraw/zinc/84/46/98/425844698.db2.gz XLGFJLZGIWCAQX-JTQLQIEISA-N -1 0 302.286 2.706 50 5 DFBARM O=C([O-])[C@@H]1CCO[C@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000162823319 426078295 /nfs/dbraw/zinc/07/82/95/426078295.db2.gz QWNPVYZDJBDWIN-SCZZXKLOSA-N -1 0 316.107 2.520 50 5 DFBARM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000119103369 426262326 /nfs/dbraw/zinc/26/23/26/426262326.db2.gz GSEYNALJPIPKPN-CZUORRHYSA-N -1 0 322.361 2.576 50 5 DFBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CC2)c2ccccc21 ZINC000089857852 426313255 /nfs/dbraw/zinc/31/32/55/426313255.db2.gz HDUQPYTZEJLNQL-UHFFFAOYSA-N -1 0 310.309 2.992 50 5 DFBARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000095943485 426375832 /nfs/dbraw/zinc/37/58/32/426375832.db2.gz OINRPARWXPLMQD-UHFFFAOYSA-N -1 0 317.088 2.583 50 5 DFBARM O=C(N[C@@H]1CCc2ccccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000225557871 303895902 /nfs/dbraw/zinc/89/59/02/303895902.db2.gz CYOYKAWTABBLQL-CYBMUJFWSA-N -1 0 312.325 2.588 50 5 DFBARM O=[N+]([O-])c1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000003901194 304804801 /nfs/dbraw/zinc/80/48/01/304804801.db2.gz RRGHTLYUKZWSNJ-UHFFFAOYSA-N -1 0 300.230 2.752 50 5 DFBARM O=C([O-])c1nc(-c2ccccc2)n(-c2cccc([N+](=O)[O-])c2)n1 ZINC000026467390 526407548 /nfs/dbraw/zinc/40/75/48/526407548.db2.gz MIFBNCSDXYWOGV-UHFFFAOYSA-N -1 0 310.269 2.541 50 5 DFBARM O=[N+]([O-])c1cc(Br)c(Cl)c([S@](=O)[O-])c1 ZINC000675062368 563910460 /nfs/dbraw/zinc/91/04/60/563910460.db2.gz REOQSGDAWGTTSB-UHFFFAOYSA-N -1 0 300.517 2.591 50 5 DFBARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006828722 304175813 /nfs/dbraw/zinc/17/58/13/304175813.db2.gz RJVVQUURVYDMTH-UWVGGRQHSA-N -1 0 324.720 2.854 50 5 DFBARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004724935 304175862 /nfs/dbraw/zinc/17/58/62/304175862.db2.gz VIGYDMAWHBBEIT-NWDGAFQWSA-N -1 0 324.720 2.767 50 5 DFBARM CC(C)c1ccc(C=Cc2nc(N)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000020074872 182185415 /nfs/dbraw/zinc/18/54/15/182185415.db2.gz KAJCOFQUFILQMQ-YVMONPNESA-N -1 0 300.318 2.554 50 5 DFBARM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])C1(C)C ZINC000158657642 286465465 /nfs/dbraw/zinc/46/54/65/286465465.db2.gz JVDBQHBLHIEIRE-OLZOCXBDSA-N -1 0 322.361 2.576 50 5 DFBARM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000132214586 196236262 /nfs/dbraw/zinc/23/62/62/196236262.db2.gz YYRRWDCBDMEINC-ZDUSSCGKSA-N -1 0 315.329 2.919 50 5 DFBARM Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000038645 425529935 /nfs/dbraw/zinc/52/99/35/425529935.db2.gz FXXSORVGKIPXPK-QWRGUYRKSA-N -1 0 306.318 2.733 50 5 DFBARM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000000188335 425543710 /nfs/dbraw/zinc/54/37/10/425543710.db2.gz IUVXILPQJBTBFC-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CCCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002597331 425596775 /nfs/dbraw/zinc/59/67/75/425596775.db2.gz QIVUKYXJVZGOBR-ZFWWWQNUSA-N -1 0 320.345 2.759 50 5 DFBARM COc1ccc(-n2nc(C(=O)[O-])c3ccc([N+](=O)[O-])cc32)cc1 ZINC000004344103 425618743 /nfs/dbraw/zinc/61/87/43/425618743.db2.gz GSASPBUVPSJLLB-UHFFFAOYSA-N -1 0 313.269 2.641 50 5 DFBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000007050592 425635421 /nfs/dbraw/zinc/63/54/21/425635421.db2.gz IKFQEOPFLJDSPU-UHFFFAOYSA-N -1 0 318.354 2.884 50 5 DFBARM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000071883703 425998911 /nfs/dbraw/zinc/99/89/11/425998911.db2.gz ZWUOBYYVZVFZOF-CYBMUJFWSA-N -1 0 322.361 2.722 50 5 DFBARM COCc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089541085 426297215 /nfs/dbraw/zinc/29/72/15/426297215.db2.gz BNKPRHPDLDUUGK-UHFFFAOYSA-N -1 0 302.286 2.699 50 5 DFBARM CCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004289703 181092872 /nfs/dbraw/zinc/09/28/72/181092872.db2.gz LMDBVGLZYIQMBY-UHFFFAOYSA-N -1 0 306.343 2.958 50 5 DFBARM Cc1ccc(S(=O)(=O)Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000015821408 182018953 /nfs/dbraw/zinc/01/89/53/182018953.db2.gz KIMFKAVCLNDLPT-UHFFFAOYSA-N -1 0 307.327 2.583 50 5 DFBARM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000000188334 425543079 /nfs/dbraw/zinc/54/30/79/425543079.db2.gz HIYPQMAXAYIODO-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM Cc1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1C ZINC000000520324 425565755 /nfs/dbraw/zinc/56/57/55/425565755.db2.gz ZTVBHJSVQZLGQQ-UHFFFAOYSA-N -1 0 317.348 2.796 50 5 DFBARM O=C([O-])c1ccc([N+](=O)[O-])cc1Oc1cccc([N+](=O)[O-])c1 ZINC000002144586 425591547 /nfs/dbraw/zinc/59/15/47/425591547.db2.gz OIISCNBXEIYOIT-UHFFFAOYSA-N -1 0 304.214 2.994 50 5 DFBARM Cc1cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000009190513 425682748 /nfs/dbraw/zinc/68/27/48/425682748.db2.gz VGSCEPVUEBGLIX-UHFFFAOYSA-N -1 0 316.269 2.559 50 5 DFBARM Cc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000012521297 425728693 /nfs/dbraw/zinc/72/86/93/425728693.db2.gz BRENAWONGMXUPE-UHFFFAOYSA-N -1 0 322.342 2.718 50 5 DFBARM O=C1OC(c2ccccc2)=N/C1=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000035618458 425844659 /nfs/dbraw/zinc/84/46/59/425844659.db2.gz QIQHRYFDXTWGFB-UKTHLTGXSA-N -1 0 310.265 2.645 50 5 DFBARM COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000035900083 425844796 /nfs/dbraw/zinc/84/47/96/425844796.db2.gz YUEUGUFGMDLXNA-UHFFFAOYSA-N -1 0 318.285 2.570 50 5 DFBARM COc1cc(/C=C2\C(=O)Nc3ccccc32)cc([N+](=O)[O-])c1[O-] ZINC000036624101 425845947 /nfs/dbraw/zinc/84/59/47/425845947.db2.gz WPHSCZAUPDUDQR-WDZFZDKYSA-N -1 0 312.281 2.802 50 5 DFBARM Cc1cccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000104228772 425961435 /nfs/dbraw/zinc/96/14/35/425961435.db2.gz KQWLFMBECZKZPA-UHFFFAOYSA-N -1 0 319.233 2.858 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2c1cc(F)cc2F ZINC000170611643 426140807 /nfs/dbraw/zinc/14/08/07/426140807.db2.gz RJWVTVKPCZJFER-UHFFFAOYSA-N -1 0 320.251 2.782 50 5 DFBARM CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1OC ZINC000151045813 426273921 /nfs/dbraw/zinc/27/39/21/426273921.db2.gz ZVCWORXDBSWQQF-KGLIPLIRSA-N -1 0 322.361 2.624 50 5 DFBARM CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000097060406 426444477 /nfs/dbraw/zinc/44/44/77/426444477.db2.gz VWGKGGNPPVIYSR-UHFFFAOYSA-N -1 0 324.724 2.731 50 5 DFBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000119159697 304526106 /nfs/dbraw/zinc/52/61/06/304526106.db2.gz OSOYSUSQTRFCFK-SMDDNHRTSA-N -1 0 322.386 2.801 50 5 DFBARM O=[N+]([O-])c1cc(Br)c(F)c(Br)c1[O-] ZINC000074937732 304798622 /nfs/dbraw/zinc/79/86/22/304798622.db2.gz RXWWMSAGGZRKHF-UHFFFAOYSA-N -1 0 314.892 2.965 50 5 DFBARM O=C([O-])COc1cccc(/C=C/c2ccc([N+](=O)[O-])cn2)c1 ZINC000170657006 197802654 /nfs/dbraw/zinc/80/26/54/197802654.db2.gz HBQXZANWZLBIOS-SNAWJCMRSA-N -1 0 300.270 2.624 50 5 DFBARM O=C([O-])C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000071979119 304036320 /nfs/dbraw/zinc/03/63/20/304036320.db2.gz WWXPRKHOMXCVGH-HNNXBMFYSA-N -1 0 311.297 2.987 50 5 DFBARM O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000004676468 181135174 /nfs/dbraw/zinc/13/51/74/181135174.db2.gz XLJYPSVQUIAXLX-UHFFFAOYSA-N -1 0 323.374 2.694 50 5 DFBARM O=C([O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000003864753 304042088 /nfs/dbraw/zinc/04/20/88/304042088.db2.gz XBGKHDVIWHAVTQ-UHFFFAOYSA-N -1 0 318.251 2.915 50 5 DFBARM COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000004964437 181180383 /nfs/dbraw/zinc/18/03/83/181180383.db2.gz NFYULTOGHRKJGR-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM O=C([O-])[C@@H]1CCO[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000162823186 304123475 /nfs/dbraw/zinc/12/34/75/304123475.db2.gz QWNPVYZDJBDWIN-PSASIEDQSA-N -1 0 316.107 2.520 50 5 DFBARM CCOC(=O)c1sc(-c2ccc([O-])c([N+](=O)[O-])c2)nc1C ZINC000040442815 183067394 /nfs/dbraw/zinc/06/73/94/183067394.db2.gz IGVKTGODUOAVBZ-UHFFFAOYSA-N -1 0 308.315 2.909 50 5 DFBARM O=C([O-])c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000037291177 304272627 /nfs/dbraw/zinc/27/26/27/304272627.db2.gz PAYQQVSQNQBVOR-UHFFFAOYSA-N -1 0 302.073 2.786 50 5 DFBARM C[C@H]1CCCCN1c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000026508784 299770582 /nfs/dbraw/zinc/77/05/82/299770582.db2.gz FLHJAAVNTLOAEJ-QMMMGPOBSA-N -1 0 309.278 2.580 50 5 DFBARM CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000067814 425533274 /nfs/dbraw/zinc/53/32/74/425533274.db2.gz FLDYIZIYWBSJJN-UHFFFAOYSA-N -1 0 322.342 2.794 50 5 DFBARM COc1ccccc1NC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000190757 425543087 /nfs/dbraw/zinc/54/30/87/425543087.db2.gz OGSCARQLXUJUND-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM CCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000364483 425555995 /nfs/dbraw/zinc/55/59/95/425555995.db2.gz DMLXSDZXXYRPTA-UHFFFAOYSA-N -1 0 306.343 2.958 50 5 DFBARM CCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000258582 425549572 /nfs/dbraw/zinc/54/95/72/425549572.db2.gz TYRYZRCQWQFBOP-UHFFFAOYSA-N -1 0 306.343 2.958 50 5 DFBARM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000007428476 425644319 /nfs/dbraw/zinc/64/43/19/425644319.db2.gz OBLHKCNZJJXFRN-UHFFFAOYSA-N -1 0 310.306 2.843 50 5 DFBARM O=[N+]([O-])c1cc(CN2CCN(c3ccccc3)CC2)ccc1[O-] ZINC000004639260 425619026 /nfs/dbraw/zinc/61/90/26/425619026.db2.gz RFOOCTIUWMGNJG-UHFFFAOYSA-N -1 0 313.357 2.623 50 5 DFBARM Cc1ccnc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000104228781 425961375 /nfs/dbraw/zinc/96/13/75/425961375.db2.gz IVDDDIXVWUACJE-UHFFFAOYSA-N -1 0 319.233 2.858 50 5 DFBARM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000117426982 426214162 /nfs/dbraw/zinc/21/41/62/426214162.db2.gz ASVYBVDMANILKP-GHMZBOCLSA-N -1 0 310.375 2.704 50 5 DFBARM CON(Cc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119779601 426302550 /nfs/dbraw/zinc/30/25/50/426302550.db2.gz ALLGSFZMUCIMSV-UHFFFAOYSA-N -1 0 302.286 2.504 50 5 DFBARM CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nccs1 ZINC000097080108 426446111 /nfs/dbraw/zinc/44/61/11/426446111.db2.gz AEBRLVHTSSZLAO-CQSZACIVSA-N -1 0 321.358 2.812 50 5 DFBARM CC(C)(C)c1cnc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000097112848 426450393 /nfs/dbraw/zinc/45/03/93/426450393.db2.gz NBJWEMJTYLSIHH-UHFFFAOYSA-N -1 0 319.317 2.516 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000097097068 426448561 /nfs/dbraw/zinc/44/85/61/426448561.db2.gz STCVFTWOXQSYQJ-CQSZACIVSA-N -1 0 313.313 2.673 50 5 DFBARM O=c1[nH]c(=S)[n-]c2c(-c3ccc([N+](=O)[O-])cc3)nsc21 ZINC000575362685 430078555 /nfs/dbraw/zinc/07/85/55/430078555.db2.gz AMBMETVMIMJLNH-UHFFFAOYSA-N -1 0 306.328 2.656 50 5 DFBARM O=C1c2cc([N+](=O)[O-])ccc2C2=C([O-])c3cc([N+](=O)[O-])ccc3[C@H]12 ZINC000025760624 304720337 /nfs/dbraw/zinc/72/03/37/304720337.db2.gz BXJKCKOGMALGKM-KBPBESRZSA-N -1 0 324.248 2.763 50 5 DFBARM O=C1c2cc([N+](=O)[O-])ccc2C2=C([O-])c3cc([N+](=O)[O-])ccc3[C@@H]12 ZINC000002518982 304720595 /nfs/dbraw/zinc/72/05/95/304720595.db2.gz BXJKCKOGMALGKM-ZIAGYGMSSA-N -1 0 324.248 2.763 50 5 DFBARM O=c1cc([O-])c2cc([N+](=O)[O-])ccc2n1CCc1ccccc1 ZINC000100404026 304817939 /nfs/dbraw/zinc/81/79/39/304817939.db2.gz NJNLYVDBYOHWMH-UHFFFAOYSA-N -1 0 310.309 2.858 50 5 DFBARM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](C)c1cccnc1 ZINC000096406934 337381842 /nfs/dbraw/zinc/38/18/42/337381842.db2.gz CFUPUAQETSHOJI-LLVKDONJSA-N -1 0 315.329 2.919 50 5 DFBARM O=C([N-]c1nnc(-c2cccs2)o1)c1ccc([N+](=O)[O-])o1 ZINC000002641516 527531373 /nfs/dbraw/zinc/53/13/73/527531373.db2.gz JVSQWTAHRXUMGE-UHFFFAOYSA-N -1 0 306.259 2.552 50 5 DFBARM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC000097237116 398667194 /nfs/dbraw/zinc/66/71/94/398667194.db2.gz OATGUMLDTVUJSX-SECBINFHSA-N -1 0 306.343 2.895 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])cc1)c1cc2ccc([O-])cc2oc1=O ZINC000004937851 181175578 /nfs/dbraw/zinc/17/55/78/181175578.db2.gz LCWGARQQKUWRJK-UHFFFAOYSA-N -1 0 311.249 2.638 50 5 DFBARM CCCn1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000097081867 193682376 /nfs/dbraw/zinc/68/23/76/193682376.db2.gz BBWCTFHIWDCNAB-UHFFFAOYSA-N -1 0 324.724 2.813 50 5 DFBARM O=c1nc2n(-c3ccccc3)c3cc(Cl)ccc3cc-2c(=O)[n-]1 ZINC000000554418 425568514 /nfs/dbraw/zinc/56/85/14/425568514.db2.gz KUZXWHQMNCGRQX-UHFFFAOYSA-N -1 0 323.739 2.832 50 5 DFBARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000002585830 425597129 /nfs/dbraw/zinc/59/71/29/425597129.db2.gz JLVLDNCAYKCLCI-LLVKDONJSA-N -1 0 310.306 2.635 50 5 DFBARM Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000008189808 425662939 /nfs/dbraw/zinc/66/29/39/425662939.db2.gz RZIKUSCWQFNQMP-UHFFFAOYSA-N -1 0 316.269 2.559 50 5 DFBARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000008156861 425663435 /nfs/dbraw/zinc/66/34/35/425663435.db2.gz XMCSAQUXLDHJNF-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM Cc1cc(C)c(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000005361601 425623271 /nfs/dbraw/zinc/62/32/71/425623271.db2.gz KHKFBKLAMHHMFL-UHFFFAOYSA-N -1 0 319.342 2.931 50 5 DFBARM CCc1ncc(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000071890827 426000073 /nfs/dbraw/zinc/00/00/73/426000073.db2.gz GJBLBCZLJWNCFV-UHFFFAOYSA-N -1 0 321.358 2.592 50 5 DFBARM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166193005 426125843 /nfs/dbraw/zinc/12/58/43/426125843.db2.gz WXVKNURWMZKPHR-YGRLFVJLSA-N -1 0 308.334 2.834 50 5 DFBARM O=C(NCCOC1CCCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000118523399 426237713 /nfs/dbraw/zinc/23/77/13/426237713.db2.gz YJSXEEWBMANGBA-UHFFFAOYSA-N -1 0 322.361 2.770 50 5 DFBARM CS[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000117426975 426214295 /nfs/dbraw/zinc/21/42/95/426214295.db2.gz ASVYBVDMANILKP-WDEREUQCSA-N -1 0 310.375 2.704 50 5 DFBARM Cc1noc(C)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097114583 426451643 /nfs/dbraw/zinc/45/16/43/426451643.db2.gz BXZGTFBRFIGCOV-UHFFFAOYSA-N -1 0 311.681 2.811 50 5 DFBARM O=[N+]([O-])c1cc(OC(F)(F)F)cc(Br)c1[O-] ZINC000096028518 304800916 /nfs/dbraw/zinc/80/09/16/304800916.db2.gz AOCPREMUOFIAQK-UHFFFAOYSA-N -1 0 302.002 2.962 50 5 DFBARM C[C@H](c1ccccn1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164408499 323216074 /nfs/dbraw/zinc/21/60/74/323216074.db2.gz GRWYOFZRONNDJA-SNVBAGLBSA-N -1 0 301.302 2.529 50 5 DFBARM CCOC(=O)c1c[n-]c2c(cc(F)c(Cl)c2[N+](=O)[O-])c1=O ZINC000034202820 398547391 /nfs/dbraw/zinc/54/73/91/398547391.db2.gz XNXDVODMEAVNQO-UHFFFAOYSA-N -1 0 314.656 2.818 50 5 DFBARM O=C([O-])C1=NN(c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000071979025 304036609 /nfs/dbraw/zinc/03/66/09/304036609.db2.gz UDGGDSXHFPMUCZ-HNNXBMFYSA-N -1 0 311.297 2.987 50 5 DFBARM O=C([O-])c1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])cc1 ZINC000003904287 181054981 /nfs/dbraw/zinc/05/49/81/181054981.db2.gz NUFCWMBPVJBDNF-UHFFFAOYSA-N -1 0 300.230 2.573 50 5 DFBARM COc1ccc(NC(=O)c2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000004016697 181063081 /nfs/dbraw/zinc/06/30/81/181063081.db2.gz PYQNBXWTSZRABA-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004628584 181131061 /nfs/dbraw/zinc/13/10/61/181131061.db2.gz BJSZGKKHYSIDSO-RYUDHWBXSA-N -1 0 306.318 2.733 50 5 DFBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccc(F)c2)c2nonc21 ZINC000004974113 181181940 /nfs/dbraw/zinc/18/19/40/181181940.db2.gz MKJVRHFMHYZDFR-UHFFFAOYSA-N -1 0 319.208 2.922 50 5 DFBARM O=C([O-])[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000003864754 304184078 /nfs/dbraw/zinc/18/40/78/304184078.db2.gz OCAPOQDIRKGNKV-QMMMGPOBSA-N -1 0 318.251 2.915 50 5 DFBARM Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-] ZINC000000470234 425562799 /nfs/dbraw/zinc/56/27/99/425562799.db2.gz CARNIRXALHSPTJ-UHFFFAOYSA-N -1 0 314.297 2.783 50 5 DFBARM O=c1nc2n(-c3ccc(Cl)cc3)c3ccccc3cc-2c(=O)[n-]1 ZINC000000521553 425565880 /nfs/dbraw/zinc/56/58/80/425565880.db2.gz HEXIOXBJNRLYOZ-UHFFFAOYSA-N -1 0 323.739 2.832 50 5 DFBARM O=[N+]([O-])c1ccc([C@@H](NCc2ccccc2)[P@](=O)([O-])O)cc1 ZINC000012949533 425744898 /nfs/dbraw/zinc/74/48/98/425744898.db2.gz MNUXVJVGJZPLNT-AWEZNQCLSA-N -1 0 322.257 2.561 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000036385436 425845815 /nfs/dbraw/zinc/84/58/15/425845815.db2.gz APLQPWVHVHFXTQ-VIFPVBQESA-N -1 0 318.251 2.715 50 5 DFBARM Cc1ccc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000097114586 426451622 /nfs/dbraw/zinc/45/16/22/426451622.db2.gz NIRFJKMFCDCANE-UHFFFAOYSA-N -1 0 321.720 2.838 50 5 DFBARM COC(=O)c1cnc(/C=C\c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000097296567 426463184 /nfs/dbraw/zinc/46/31/84/426463184.db2.gz WFBWBVHTKJPETD-HYXAFXHYSA-N -1 0 306.299 2.714 50 5 DFBARM CC(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000004223062 280590116 /nfs/dbraw/zinc/59/01/16/280590116.db2.gz HEBONQRXDWTYBH-VMPITWQZSA-N -1 0 301.302 2.678 50 5 DFBARM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000119103651 294139648 /nfs/dbraw/zinc/13/96/48/294139648.db2.gz GSEYNALJPIPKPN-CJNGLKHVSA-N -1 0 322.361 2.576 50 5 DFBARM Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000138776 180705304 /nfs/dbraw/zinc/70/53/04/180705304.db2.gz PTKBEXCSOSISBO-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000005671911 181270249 /nfs/dbraw/zinc/27/02/49/181270249.db2.gz FQTBNHNSLSVAIQ-JOYOIKCWSA-N -1 0 324.333 2.676 50 5 DFBARM COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000043827457 183387177 /nfs/dbraw/zinc/38/71/77/183387177.db2.gz SHVWMGUFVKSAAO-UHFFFAOYSA-N -1 0 303.270 2.881 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000026508806 304227687 /nfs/dbraw/zinc/22/76/87/304227687.db2.gz WTCIHWMTXPCXJQ-UHFFFAOYSA-N -1 0 309.278 2.946 50 5 DFBARM O=[N+]([O-])c1cccnc1[N-]c1ccn(CCc2ccccn2)n1 ZINC000058218296 184089680 /nfs/dbraw/zinc/08/96/80/184089680.db2.gz MMNDPDBNIXZXBU-UHFFFAOYSA-N -1 0 310.317 2.568 50 5 DFBARM O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000015443078 134523862 /nfs/dbraw/zinc/52/38/62/134523862.db2.gz LUJIWJDGWCJVKC-QMMMGPOBSA-N -1 0 318.251 2.915 50 5 DFBARM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1C ZINC000055546868 425893993 /nfs/dbraw/zinc/89/39/93/425893993.db2.gz MDLRQPWLTMYDGD-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM O=C([O-])c1cccnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000179408 425542326 /nfs/dbraw/zinc/54/23/26/425542326.db2.gz NLLVFBUITXSIQT-UHFFFAOYSA-N -1 0 318.310 2.663 50 5 DFBARM COc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OCc1ccccc1 ZINC000000337936 425553637 /nfs/dbraw/zinc/55/36/37/425553637.db2.gz MKUIZUTZPMISIV-UHFFFAOYSA-N -1 0 303.270 2.881 50 5 DFBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000002599160 425596054 /nfs/dbraw/zinc/59/60/54/425596054.db2.gz VTHHRADLOLKTLD-UHFFFAOYSA-N -1 0 303.270 2.881 50 5 DFBARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000000253673 425548528 /nfs/dbraw/zinc/54/85/28/425548528.db2.gz PMIDROXZNFCCLL-NEPJUHHUSA-N -1 0 304.302 2.509 50 5 DFBARM Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000005101247 425623509 /nfs/dbraw/zinc/62/35/09/425623509.db2.gz GUKQYFLAGCBUAT-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CCCN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000015010482 425777855 /nfs/dbraw/zinc/77/78/55/425777855.db2.gz YHFGZCAQCJWQJG-XFFZJAGNSA-N -1 0 308.315 2.747 50 5 DFBARM COc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025311919 425802353 /nfs/dbraw/zinc/80/23/53/425802353.db2.gz VIOWMHYQHUTLBQ-UHFFFAOYSA-N -1 0 306.249 2.700 50 5 DFBARM CC(C)OC1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119340463 426280875 /nfs/dbraw/zinc/28/08/75/426280875.db2.gz GZULPEGNZPXULH-UHFFFAOYSA-N -1 0 322.361 2.766 50 5 DFBARM O=C(N[C@@H](c1nccs1)C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000096481522 426433822 /nfs/dbraw/zinc/43/38/22/426433822.db2.gz HRQDWWLRRKHUID-LLVKDONJSA-N -1 0 319.342 2.638 50 5 DFBARM COc1cc(CNc2ccc(Cl)cn2)cc([N+](=O)[O-])c1[O-] ZINC000097045310 426442384 /nfs/dbraw/zinc/44/23/84/426442384.db2.gz RDQNMWYZKUBZPR-UHFFFAOYSA-N -1 0 309.709 2.970 50 5 DFBARM O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(F)c1 ZINC000000360316 190613609 /nfs/dbraw/zinc/61/36/09/190613609.db2.gz ZTEQFQFDGOXKRV-UHFFFAOYSA-N -1 0 304.233 2.684 50 5 DFBARM O=[N+]([O-])c1ccc([N-]c2c3nonc3ccc2[N+](=O)[O-])cc1 ZINC000003904289 181054877 /nfs/dbraw/zinc/05/48/77/181054877.db2.gz GNZYJWADUKKYQF-UHFFFAOYSA-N -1 0 301.218 2.783 50 5 DFBARM O=C([O-])CNc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)n1 ZINC000004118118 181075378 /nfs/dbraw/zinc/07/53/78/181075378.db2.gz FIRWCGITIPXVQL-UHFFFAOYSA-N -1 0 324.296 2.702 50 5 DFBARM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000004844782 181162033 /nfs/dbraw/zinc/16/20/33/181162033.db2.gz HINMQLGZSUCOMF-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000005675194 181270874 /nfs/dbraw/zinc/27/08/74/181270874.db2.gz FQTBNHNSLSVAIQ-BXKDBHETSA-N -1 0 324.333 2.676 50 5 DFBARM O=c1nc(Nc2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000009310368 181612660 /nfs/dbraw/zinc/61/26/60/181612660.db2.gz JNFCFRCRACBBPP-UHFFFAOYSA-N -1 0 324.300 2.973 50 5 DFBARM O=C([O-])COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000012548253 181774571 /nfs/dbraw/zinc/77/45/71/181774571.db2.gz LNQKQFLMHMXRCC-UHFFFAOYSA-N -1 0 313.269 2.602 50 5 DFBARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017054520 182072123 /nfs/dbraw/zinc/07/21/23/182072123.db2.gz ZQNRZKWNLULXKS-TWZWYRAHSA-N -1 0 318.329 2.670 50 5 DFBARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006828720 304175972 /nfs/dbraw/zinc/17/59/72/304175972.db2.gz RJVVQUURVYDMTH-ZJUUUORDSA-N -1 0 324.720 2.854 50 5 DFBARM O=C([O-])[C@H]1CCO[C@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000162823570 304192983 /nfs/dbraw/zinc/19/29/83/304192983.db2.gz QWNPVYZDJBDWIN-WPRPVWTQSA-N -1 0 316.107 2.520 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000005002573 304227740 /nfs/dbraw/zinc/22/77/40/304227740.db2.gz GCDDGQDXDKLREW-UHFFFAOYSA-N -1 0 317.257 2.813 50 5 DFBARM O=C(c1ccc2nc3ccccc3c(=O)n2c1)c1ccccc1[O-] ZINC000014187775 542423906 /nfs/dbraw/zinc/42/39/06/542423906.db2.gz HAOVOAHFEJLSMZ-UHFFFAOYSA-N -1 0 316.316 2.784 50 5 DFBARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000000583243 425569921 /nfs/dbraw/zinc/56/99/21/425569921.db2.gz FUAYSRJUBCKUNT-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000000253667 425548300 /nfs/dbraw/zinc/54/83/00/425548300.db2.gz PMIDROXZNFCCLL-NWDGAFQWSA-N -1 0 304.302 2.509 50 5 DFBARM Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000004794895 425621766 /nfs/dbraw/zinc/62/17/66/425621766.db2.gz BVOFBRMMFNPNAX-NEPJUHHUSA-N -1 0 306.318 2.733 50 5 DFBARM Cc1c(C(=O)[O-])sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000033418272 425842003 /nfs/dbraw/zinc/84/20/03/425842003.db2.gz JILFXSWJWKBMJT-UHFFFAOYSA-N -1 0 303.299 2.978 50 5 DFBARM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166193229 426125416 /nfs/dbraw/zinc/12/54/16/426125416.db2.gz WXVKNURWMZKPHR-QMTHXVAHSA-N -1 0 308.334 2.834 50 5 DFBARM O=C(Cc1ccc(F)cc1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166180024 323216065 /nfs/dbraw/zinc/21/60/65/323216065.db2.gz YJQGVHCESTXJMF-UHFFFAOYSA-N -1 0 308.240 2.760 50 5 DFBARM CC(C)c1ccc(C=Cc2nc(N)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000005481989 398351322 /nfs/dbraw/zinc/35/13/22/398351322.db2.gz KAJCOFQUFILQMQ-VMPITWQZSA-N -1 0 300.318 2.554 50 5 DFBARM CCOc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000095468991 185372286 /nfs/dbraw/zinc/37/22/86/185372286.db2.gz YNBJLGJXXJYBRV-UHFFFAOYSA-N -1 0 316.313 2.629 50 5 DFBARM CCC1(CC)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1OC ZINC000151045850 282388577 /nfs/dbraw/zinc/38/85/77/282388577.db2.gz ZVCWORXDBSWQQF-KBPBESRZSA-N -1 0 322.361 2.624 50 5 DFBARM O=C([O-])/C(=C\c1ccc([N+](=O)[O-])s1)NC(=O)c1ccccc1 ZINC000000335794 180760960 /nfs/dbraw/zinc/76/09/60/180760960.db2.gz RCAUPMFNUKOWRC-DHZHZOJOSA-N -1 0 318.310 2.512 50 5 DFBARM CC(C)(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000004223061 181086316 /nfs/dbraw/zinc/08/63/16/181086316.db2.gz ZEFWJJKQVXKTKI-RMKNXTFCSA-N -1 0 315.329 2.852 50 5 DFBARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000005772190 181282228 /nfs/dbraw/zinc/28/22/28/181282228.db2.gz CXEPVJPUZWVNTN-ZANVPECISA-N -1 0 320.326 2.643 50 5 DFBARM O=C(NCc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000057294248 184032545 /nfs/dbraw/zinc/03/25/45/184032545.db2.gz KHNMCPNKIWNDAP-UHFFFAOYSA-N -1 0 306.705 2.884 50 5 DFBARM O=c1[n-]c([C@@H]2CCCCN2c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000408523174 257254340 /nfs/dbraw/zinc/25/43/40/257254340.db2.gz HSHMELMLXBIBOH-JTQLQIEISA-N -1 0 323.740 2.804 50 5 DFBARM COc1ccc2c(c1)CCN2C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000127519145 195885227 /nfs/dbraw/zinc/88/52/27/195885227.db2.gz QTVLVVKNCGZNJT-UHFFFAOYSA-N -1 0 314.297 2.512 50 5 DFBARM O=C([O-])c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000183288 425544092 /nfs/dbraw/zinc/54/40/92/425544092.db2.gz LNHZPZDHDXOGFA-UHFFFAOYSA-N -1 0 304.233 2.684 50 5 DFBARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000000452329 425561146 /nfs/dbraw/zinc/56/11/46/425561146.db2.gz DMDUTJVKPYGWKF-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000002381569 425592569 /nfs/dbraw/zinc/59/25/69/425592569.db2.gz VSSDZTCJXHBUGF-LLVKDONJSA-N -1 0 310.306 2.635 50 5 DFBARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002739976 425600854 /nfs/dbraw/zinc/60/08/54/425600854.db2.gz ODYLVNNFONTPPI-UWVGGRQHSA-N -1 0 324.720 2.854 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004616058 425619282 /nfs/dbraw/zinc/61/92/82/425619282.db2.gz BJSZGKKHYSIDSO-NWDGAFQWSA-N -1 0 306.318 2.733 50 5 DFBARM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000036382472 425845765 /nfs/dbraw/zinc/84/57/65/425845765.db2.gz JULPKLXBGSSYNU-UHFFFAOYSA-N -1 0 302.286 2.951 50 5 DFBARM O=C(Nc1cccc(OCCF)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000150923269 426266861 /nfs/dbraw/zinc/26/68/61/426266861.db2.gz CHAHFHJPEADXAB-UHFFFAOYSA-N -1 0 320.276 2.901 50 5 DFBARM Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000096449523 426428344 /nfs/dbraw/zinc/42/83/44/426428344.db2.gz AFQXEFGQJMDINE-UHFFFAOYSA-N -1 0 318.333 2.947 50 5 DFBARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC000097094781 426448711 /nfs/dbraw/zinc/44/87/11/426448711.db2.gz ZTBCBPRUSPQPKF-UHFFFAOYSA-N -1 0 316.342 2.529 50 5 DFBARM Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000004794896 181152801 /nfs/dbraw/zinc/15/28/01/181152801.db2.gz BVOFBRMMFNPNAX-RYUDHWBXSA-N -1 0 306.318 2.733 50 5 DFBARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000004844610 181161957 /nfs/dbraw/zinc/16/19/57/181161957.db2.gz LXKXYTQYMVGHHE-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004891877 181168620 /nfs/dbraw/zinc/16/86/20/181168620.db2.gz QCQSVGODHDEOGY-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM O=C([O-])C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000005024128 181192502 /nfs/dbraw/zinc/19/25/02/181192502.db2.gz WDCNJBCDENQSBI-AWEZNQCLSA-N -1 0 314.297 2.541 50 5 DFBARM Cc1c(C(=O)Nc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000005378381 181236454 /nfs/dbraw/zinc/23/64/54/181236454.db2.gz WKAXJQBQVLHNQP-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000005174137 283215023 /nfs/dbraw/zinc/21/50/23/283215023.db2.gz XTHSJCATZGIZLX-UHFFFAOYSA-N -1 0 311.294 2.828 50 5 DFBARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000006557309 181354159 /nfs/dbraw/zinc/35/41/59/181354159.db2.gz UMTZIGJKVNAMAJ-VHSXEESVSA-N -1 0 310.281 2.563 50 5 DFBARM O=C([O-])[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004342769 304188189 /nfs/dbraw/zinc/18/81/89/304188189.db2.gz HCNDRCXDWXUIPG-SECBINFHSA-N -1 0 304.224 2.667 50 5 DFBARM Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)cccc1C(=O)[O-] ZINC000057351848 184034831 /nfs/dbraw/zinc/03/48/31/184034831.db2.gz HYFLICFFQUIDMH-UHFFFAOYSA-N -1 0 306.299 2.915 50 5 DFBARM CCCO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000157854173 197221061 /nfs/dbraw/zinc/22/10/61/197221061.db2.gz PFQXSJBNOQFTLZ-ZDUSSCGKSA-N -1 0 322.361 2.722 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1n[n-]c(=S)s1 ZINC000390834969 543307794 /nfs/dbraw/zinc/30/77/94/543307794.db2.gz YBZKAMNUVJKLAW-UHFFFAOYSA-N -1 0 315.357 2.584 50 5 DFBARM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000000180201 425541675 /nfs/dbraw/zinc/54/16/75/425541675.db2.gz KNEPKOQSGFSSJJ-UHFFFAOYSA-N -1 0 310.306 2.843 50 5 DFBARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000002578576 425597206 /nfs/dbraw/zinc/59/72/06/425597206.db2.gz JLVLDNCAYKCLCI-NSHDSACASA-N -1 0 310.306 2.635 50 5 DFBARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000272612 425549443 /nfs/dbraw/zinc/54/94/43/425549443.db2.gz HCZZMHPBWAKKNO-UHFFFAOYSA-N -1 0 322.342 2.794 50 5 DFBARM O=c1oc2ccccc2c2c1nc([O-])c(=O)n2C1CCCCC1 ZINC000009607435 425691521 /nfs/dbraw/zinc/69/15/21/425691521.db2.gz DSJUZOZSPRKRCM-UHFFFAOYSA-N -1 0 312.325 2.714 50 5 DFBARM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000035307865 425844090 /nfs/dbraw/zinc/84/40/90/425844090.db2.gz FBTKGJLLKRSPFP-UHFFFAOYSA-N -1 0 318.285 2.570 50 5 DFBARM CC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000109017838 426026502 /nfs/dbraw/zinc/02/65/02/426026502.db2.gz ZSWFKCZWLZRRJR-HNNXBMFYSA-N -1 0 311.293 2.866 50 5 DFBARM CCCO[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164579602 426115189 /nfs/dbraw/zinc/11/51/89/426115189.db2.gz OXOASEQDIHKPHE-ZDUSSCGKSA-N -1 0 322.361 2.722 50 5 DFBARM O=C(Nc1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000096004292 426387413 /nfs/dbraw/zinc/38/74/13/426387413.db2.gz DRJUBTZXVKEFNW-UHFFFAOYSA-N -1 0 324.296 2.738 50 5 DFBARM CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccn1 ZINC000096437084 426425173 /nfs/dbraw/zinc/42/51/73/426425173.db2.gz KSHAAWPFHKGNHD-HNNXBMFYSA-N -1 0 315.329 2.823 50 5 DFBARM CCc1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1 ZINC000000521072 288527425 /nfs/dbraw/zinc/52/74/25/288527425.db2.gz BRGSICLIJGCUFP-UHFFFAOYSA-N -1 0 317.348 2.741 50 5 DFBARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003833529 301647467 /nfs/dbraw/zinc/64/74/67/301647467.db2.gz BKYMBQNBAQDQJV-UHFFFAOYSA-N -1 0 310.306 2.843 50 5 DFBARM CS[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000117426985 295668271 /nfs/dbraw/zinc/66/82/71/295668271.db2.gz ASVYBVDMANILKP-MNOVXSKESA-N -1 0 310.375 2.704 50 5 DFBARM COC(Cn1c(=O)c2cc3ccccc3cc2[n-]c1=S)OC ZINC000000425064 398346396 /nfs/dbraw/zinc/34/63/96/398346396.db2.gz FOKLETAESYPKCU-UHFFFAOYSA-N -1 0 316.382 2.831 50 5 DFBARM COC(=O)c1cnc(/C=C/c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000069977129 190845854 /nfs/dbraw/zinc/84/58/54/190845854.db2.gz WFBWBVHTKJPETD-HWKANZROSA-N -1 0 306.299 2.714 50 5 DFBARM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000123533478 304012780 /nfs/dbraw/zinc/01/27/80/304012780.db2.gz IDZZIXGHJVENMD-UHFFFAOYSA-N -1 0 324.296 2.738 50 5 DFBARM COc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000003132380 180984320 /nfs/dbraw/zinc/98/43/20/180984320.db2.gz MGONISJXUIQREH-UHFFFAOYSA-N -1 0 317.297 2.810 50 5 DFBARM O=C([O-])CSc1ccccc1Nc1ccc([N+](=O)[O-])cn1 ZINC000004457450 181110399 /nfs/dbraw/zinc/11/03/99/181110399.db2.gz MJYWFJBCGHHRKE-UHFFFAOYSA-N -1 0 305.315 2.910 50 5 DFBARM CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Oc1ccccc1 ZINC000004617749 181129688 /nfs/dbraw/zinc/12/96/88/181129688.db2.gz HYWYRSMBCFDLJT-UHFFFAOYSA-N -1 0 308.315 2.759 50 5 world DFBARM Cc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000004953615 181179097 /nfs/dbraw/zinc/17/90/97/181179097.db2.gz BGQDUSINAMQSIQ-UHFFFAOYSA-N -1 0 302.286 2.626 50 5 DFBARM O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000040566564 304110530 /nfs/dbraw/zinc/11/05/30/304110530.db2.gz MDLFKEHLYDIDFI-MRVPVSSYSA-N -1 0 318.251 2.915 50 5 DFBARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004901870 304175936 /nfs/dbraw/zinc/17/59/36/304175936.db2.gz BNTBMODNVKLBDI-ZJUUUORDSA-N -1 0 324.720 2.854 50 5 DFBARM O=c1[n-]c([C@H]2CCCCN2c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000408523175 257254457 /nfs/dbraw/zinc/25/44/57/257254457.db2.gz HSHMELMLXBIBOH-SNVBAGLBSA-N -1 0 323.740 2.804 50 5 DFBARM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cc(Cl)ccc1[O-] ZINC000000448512 425561126 /nfs/dbraw/zinc/56/11/26/425561126.db2.gz FZVUMHIMFWWWAB-UHFFFAOYSA-N -1 0 318.672 2.754 50 5 DFBARM Cc1nc([N+](=O)[O-])c(SCc2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000002236897 425590852 /nfs/dbraw/zinc/59/08/52/425590852.db2.gz KXYCTXGJIAIUDC-UHFFFAOYSA-N -1 0 310.291 2.532 50 5 DFBARM Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])cc1C ZINC000013843341 425763139 /nfs/dbraw/zinc/76/31/39/425763139.db2.gz PGAHIQBUGPLKBI-UHFFFAOYSA-N -1 0 316.313 2.935 50 5 DFBARM Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000013955206 425764458 /nfs/dbraw/zinc/76/44/58/425764458.db2.gz GFLKXMUHKRFAIN-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000071883702 425999318 /nfs/dbraw/zinc/99/93/18/425999318.db2.gz ZWUOBYYVZVFZOF-ZDUSSCGKSA-N -1 0 322.361 2.722 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1c1ccncc1 ZINC000097097070 426448093 /nfs/dbraw/zinc/44/80/93/426448093.db2.gz STCVFTWOXQSYQJ-AWEZNQCLSA-N -1 0 313.313 2.673 50 5 DFBARM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](C)c1cccnc1 ZINC000097097440 426448196 /nfs/dbraw/zinc/44/81/96/426448196.db2.gz HIDBVSZPRDPLRE-LLVKDONJSA-N -1 0 315.329 2.919 50 5 DFBARM Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000225404449 426599765 /nfs/dbraw/zinc/59/97/65/426599765.db2.gz PPITVMRUTRQGLN-TVQRCGJNSA-N -1 0 321.333 2.620 50 5 DFBARM O=C([O-])c1cn(-c2ccc([N+](=O)[O-])cc2F)nc1C(F)F ZINC000575441567 337116791 /nfs/dbraw/zinc/11/67/91/337116791.db2.gz VXLOXEUEYJTXDZ-UHFFFAOYSA-N -1 0 301.180 2.555 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1c1ccco1 ZINC000097097412 337382093 /nfs/dbraw/zinc/38/20/93/337382093.db2.gz PZCXYUBUIQLIQL-LBPRGKRZSA-N -1 0 302.286 2.871 50 5 DFBARM COc1cc(CNc2ccc3n[nH]cc3c2)cc([N+](=O)[O-])c1[O-] ZINC000095440153 185366019 /nfs/dbraw/zinc/36/60/19/185366019.db2.gz XOTCLTIQFNSIDV-UHFFFAOYSA-N -1 0 314.301 2.797 50 5 DFBARM Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004599476 181128971 /nfs/dbraw/zinc/12/89/71/181128971.db2.gz KGJGKTVAWXPCRB-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004724938 304099651 /nfs/dbraw/zinc/09/96/51/304099651.db2.gz VIGYDMAWHBBEIT-NEPJUHHUSA-N -1 0 324.720 2.767 50 5 DFBARM O=C([O-])Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000017053082 182071228 /nfs/dbraw/zinc/07/12/28/182071228.db2.gz NVLBLTXQEUZETJ-UHFFFAOYSA-N -1 0 315.285 2.866 50 5 DFBARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000127570 425539425 /nfs/dbraw/zinc/53/94/25/425539425.db2.gz QJDYFRCWWJPEGQ-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1Cl ZINC000000549758 425567282 /nfs/dbraw/zinc/56/72/82/425567282.db2.gz IHCIDVJWUUWQIX-UHFFFAOYSA-N -1 0 316.100 2.845 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(F)c1 ZINC000003012558 425608856 /nfs/dbraw/zinc/60/88/56/425608856.db2.gz CBOWACVWHGKOOE-UHFFFAOYSA-N -1 0 304.233 2.684 50 5 DFBARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000003128521 425609927 /nfs/dbraw/zinc/60/99/27/425609927.db2.gz PMTUROBMHBTNSO-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM CCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005596581 425625076 /nfs/dbraw/zinc/62/50/76/425625076.db2.gz QIVUKYXJVZGOBR-HIFRSBDPSA-N -1 0 320.345 2.759 50 5 DFBARM O=C(NCc1nccc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000014390573 425773227 /nfs/dbraw/zinc/77/32/27/425773227.db2.gz PWLFTJFCKZTBPA-UHFFFAOYSA-N -1 0 323.308 2.779 50 5 DFBARM CC(C)(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000033249095 425841836 /nfs/dbraw/zinc/84/18/36/425841836.db2.gz ZEFWJJKQVXKTKI-TWGQIWQCSA-N -1 0 315.329 2.852 50 5 DFBARM CCCc1[nH]nc(C(=O)Nc2ccc(Cl)cc2[O-])c1[N+](=O)[O-] ZINC000153637279 426396932 /nfs/dbraw/zinc/39/69/32/426396932.db2.gz XDZMHZBJYLBADD-UHFFFAOYSA-N -1 0 324.724 2.882 50 5 DFBARM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ncc(C)s1 ZINC000096415647 426418240 /nfs/dbraw/zinc/41/82/40/426418240.db2.gz RSTGYUHSICTLCM-JTQLQIEISA-N -1 0 321.358 2.946 50 5 DFBARM CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000119103754 294157944 /nfs/dbraw/zinc/15/79/44/294157944.db2.gz GSEYNALJPIPKPN-BBRMVZONSA-N -1 0 322.361 2.576 50 5 DFBARM Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000038644 300978906 /nfs/dbraw/zinc/97/89/06/300978906.db2.gz FXXSORVGKIPXPK-GHMZBOCLSA-N -1 0 306.318 2.733 50 5 DFBARM CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000089947962 185270895 /nfs/dbraw/zinc/27/08/95/185270895.db2.gz MDFCHSGJJOPNRI-ZDUSSCGKSA-N -1 0 315.329 2.919 50 5 DFBARM O=C([O-])CCCCCNc1ccc2nsnc2c1[N+](=O)[O-] ZINC000004110504 181074793 /nfs/dbraw/zinc/07/47/93/181074793.db2.gz OGKMCGKXYXLFMO-UHFFFAOYSA-N -1 0 310.335 2.656 50 5 DFBARM O=C([O-])c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000004115690 181075626 /nfs/dbraw/zinc/07/56/26/181075626.db2.gz IXLRLXCTHVMJJM-UHFFFAOYSA-N -1 0 303.230 2.945 50 5 DFBARM O=C([O-])c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004253107 181088844 /nfs/dbraw/zinc/08/88/44/181088844.db2.gz RQEIUNRFWLZDPY-UHFFFAOYSA-N -1 0 303.230 2.945 50 5 DFBARM O=C([O-])c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000004342276 181100339 /nfs/dbraw/zinc/10/03/39/181100339.db2.gz DHWNXEVICXEICS-UHFFFAOYSA-N -1 0 310.269 2.980 50 5 DFBARM O=C([O-])c1ccccc1Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000004894758 181169099 /nfs/dbraw/zinc/16/90/99/181169099.db2.gz SJVIUDIOADDATF-UHFFFAOYSA-N -1 0 300.230 2.573 50 5 DFBARM O=C([O-])COc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 ZINC000005345932 181232344 /nfs/dbraw/zinc/23/23/44/181232344.db2.gz HKHWVUYACZIZEA-UHFFFAOYSA-N -1 0 320.684 2.769 50 5 DFBARM C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000005671896 181270134 /nfs/dbraw/zinc/27/01/34/181270134.db2.gz FQTBNHNSLSVAIQ-CABZTGNLSA-N -1 0 324.333 2.676 50 5 DFBARM O=C([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003899112 304248865 /nfs/dbraw/zinc/24/88/65/304248865.db2.gz AMTKOZFKVDWUHB-UHFFFAOYSA-N -1 0 303.230 2.945 50 5 DFBARM O=C([O-])c1cn(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000039631241 304274335 /nfs/dbraw/zinc/27/43/35/304274335.db2.gz SSZUMRRPCBEXRX-UHFFFAOYSA-N -1 0 308.677 2.596 50 5 DFBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000000571629 425568971 /nfs/dbraw/zinc/56/89/71/425568971.db2.gz STQICQHWPGCOBW-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004628583 425619698 /nfs/dbraw/zinc/61/96/98/425619698.db2.gz BJSZGKKHYSIDSO-NEPJUHHUSA-N -1 0 306.318 2.733 50 5 DFBARM COc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000045499867 425861459 /nfs/dbraw/zinc/86/14/59/425861459.db2.gz AGYPOLYEHZFWKZ-QPJJXVBHSA-N -1 0 300.270 2.867 50 5 DFBARM CN(Cc1ccc(Cl)nc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000030643544 425832366 /nfs/dbraw/zinc/83/23/66/425832366.db2.gz VKOUSSSGOLORQA-UHFFFAOYSA-N -1 0 321.720 2.621 50 5 DFBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000071903709 426002640 /nfs/dbraw/zinc/00/26/40/426002640.db2.gz REOJGLAWIYOSEF-UHFFFAOYSA-N -1 0 317.326 2.877 50 5 DFBARM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164231834 426113077 /nfs/dbraw/zinc/11/30/77/426113077.db2.gz XVVGKTJDVGRTOY-ABAIWWIYSA-N -1 0 322.361 2.626 50 5 DFBARM CCc1cnc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000119124304 426263522 /nfs/dbraw/zinc/26/35/22/426263522.db2.gz ZTCWVTDVEONFAS-UHFFFAOYSA-N -1 0 321.358 2.592 50 5 DFBARM Cc1c(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000095964688 426378593 /nfs/dbraw/zinc/37/85/93/426378593.db2.gz AKGAXROBZLEVRC-OLZOCXBDSA-N -1 0 320.345 2.667 50 5 DFBARM CC(C)(C)n1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000069968513 278581674 /nfs/dbraw/zinc/58/16/74/278581674.db2.gz YTFSMFWNTJUSMB-UHFFFAOYSA-N -1 0 304.306 2.504 50 5 DFBARM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000123929083 303876289 /nfs/dbraw/zinc/87/62/89/303876289.db2.gz YSFFDABOZWRXPW-LLVKDONJSA-N -1 0 320.345 2.522 50 5 DFBARM COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000000190188 180720569 /nfs/dbraw/zinc/72/05/69/180720569.db2.gz JYBSLFSMYDFXSZ-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000000190192 180720609 /nfs/dbraw/zinc/72/06/09/180720609.db2.gz GKGJZTHESZPOTF-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004677630 181135514 /nfs/dbraw/zinc/13/55/14/181135514.db2.gz VRKSKSRELJQSLL-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM CCCO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000157854044 283406794 /nfs/dbraw/zinc/40/67/94/283406794.db2.gz PFQXSJBNOQFTLZ-CYBMUJFWSA-N -1 0 322.361 2.722 50 5 DFBARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006828721 304099952 /nfs/dbraw/zinc/09/99/52/304099952.db2.gz RJVVQUURVYDMTH-NXEZZACHSA-N -1 0 324.720 2.854 50 5 DFBARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000018125330 182094114 /nfs/dbraw/zinc/09/41/14/182094114.db2.gz OBMNMJXCQKUTPU-UHFFFAOYSA-N -1 0 311.305 2.530 50 5 DFBARM COc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017971953 182088747 /nfs/dbraw/zinc/08/87/47/182088747.db2.gz JCNRUBOYBSARIV-SNVBAGLBSA-N -1 0 316.313 2.800 50 5 DFBARM COc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017971955 182088994 /nfs/dbraw/zinc/08/89/94/182088994.db2.gz JCNRUBOYBSARIV-JTQLQIEISA-N -1 0 316.313 2.800 50 5 DFBARM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])C1(C)C ZINC000158657401 286517045 /nfs/dbraw/zinc/51/70/45/286517045.db2.gz JVDBQHBLHIEIRE-STQMWFEESA-N -1 0 322.361 2.576 50 5 DFBARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000085466 425534662 /nfs/dbraw/zinc/53/46/62/425534662.db2.gz YJNHDLDVJDLJAO-UHFFFAOYSA-N -1 0 319.338 2.560 50 5 DFBARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000002389160 425592921 /nfs/dbraw/zinc/59/29/21/425592921.db2.gz SAVFDQXYVJSWEN-JTQLQIEISA-N -1 0 310.306 2.635 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000014397945 425773298 /nfs/dbraw/zinc/77/32/98/425773298.db2.gz OHDKCKOEANERQB-UHFFFAOYSA-N -1 0 310.306 2.843 50 5 DFBARM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000096469247 426432030 /nfs/dbraw/zinc/43/20/30/426432030.db2.gz GTEOJBMIJRGHQR-UHFFFAOYSA-N -1 0 324.362 2.551 50 5 DFBARM O=c1cc([O-])c2c(=O)n(Cc3ccccc3)c3ccccc3c2o1 ZINC000013571600 304817782 /nfs/dbraw/zinc/81/77/82/304817782.db2.gz AJJYWRQCFZPYQY-UHFFFAOYSA-N -1 0 319.316 2.862 50 5 DFBARM O=c1nc2n(-c3cccc(Cl)c3)c3ccccc3cc-2c(=O)[n-]1 ZINC000009168881 304819579 /nfs/dbraw/zinc/81/95/79/304819579.db2.gz YERZYJFBBYVUQW-UHFFFAOYSA-N -1 0 323.739 2.832 50 5 DFBARM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000097236999 398666985 /nfs/dbraw/zinc/66/69/85/398666985.db2.gz QNIUBBSMFJQFKT-SECBINFHSA-N -1 0 306.343 2.895 50 5 DFBARM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000821777 180835469 /nfs/dbraw/zinc/83/54/69/180835469.db2.gz HCBUKOMOBUEVPU-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002739975 180951177 /nfs/dbraw/zinc/95/11/77/180951177.db2.gz ODYLVNNFONTPPI-NXEZZACHSA-N -1 0 324.720 2.854 50 5 DFBARM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccsc1 ZINC000076082563 398838226 /nfs/dbraw/zinc/83/82/26/398838226.db2.gz HYCGLMFPYDJWQN-UHFFFAOYSA-N -1 0 302.308 2.596 50 5 DFBARM CC(C)(Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000040911198 183148173 /nfs/dbraw/zinc/14/81/73/183148173.db2.gz ORHKPTVTFPKWSQ-UHFFFAOYSA-N -1 0 303.112 2.632 50 5 DFBARM O=C([O-])c1cc(Br)c(Br)cc1[N+](=O)[O-] ZINC000004529802 304220430 /nfs/dbraw/zinc/22/04/30/304220430.db2.gz RZPONWOLLSMIKL-UHFFFAOYSA-N -1 0 324.912 2.818 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])ccc1[C@H]1Nc2ccccc2C(=O)O1 ZINC000004708790 304228343 /nfs/dbraw/zinc/22/83/43/304228343.db2.gz BZRSFRGJWRPFEA-ZDUSSCGKSA-N -1 0 314.253 2.574 50 5 DFBARM O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1[O-] ZINC000000091877 425534967 /nfs/dbraw/zinc/53/49/67/425534967.db2.gz DCSXOPNJAIKIPV-UHFFFAOYSA-N -1 0 313.718 2.787 50 5 DFBARM O=C([O-])c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000000138655 425539194 /nfs/dbraw/zinc/53/91/94/425539194.db2.gz SUZVPDGSWGZWBU-UHFFFAOYSA-N -1 0 310.269 2.541 50 5 DFBARM O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000015443076 425783310 /nfs/dbraw/zinc/78/33/10/425783310.db2.gz LUJIWJDGWCJVKC-MRVPVSSYSA-N -1 0 318.251 2.915 50 5 DFBARM C[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035877057 425844728 /nfs/dbraw/zinc/84/47/28/425844728.db2.gz XLGFJLZGIWCAQX-SNVBAGLBSA-N -1 0 302.286 2.706 50 5 DFBARM Cc1cccnc1[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104228767 425961641 /nfs/dbraw/zinc/96/16/41/425961641.db2.gz VLKWKVMWHZSUSS-UHFFFAOYSA-N -1 0 319.233 2.858 50 5 DFBARM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166193356 426125763 /nfs/dbraw/zinc/12/57/63/426125763.db2.gz WXVKNURWMZKPHR-IINYFYTJSA-N -1 0 308.334 2.834 50 5 DFBARM CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000089531344 426295918 /nfs/dbraw/zinc/29/59/18/426295918.db2.gz VDFUCQPJXCTVLG-AWEZNQCLSA-N -1 0 302.286 2.627 50 5 DFBARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000095349593 426366875 /nfs/dbraw/zinc/36/68/75/426366875.db2.gz GRRGBDXWMQMXLD-UHFFFAOYSA-N -1 0 318.260 2.993 50 5 DFBARM CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000096012344 426388559 /nfs/dbraw/zinc/38/85/59/426388559.db2.gz PNMGFIPYZQGSCS-UHFFFAOYSA-N -1 0 322.346 2.603 50 5 DFBARM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ncc(C)s1 ZINC000096415648 426418769 /nfs/dbraw/zinc/41/87/69/426418769.db2.gz RSTGYUHSICTLCM-SNVBAGLBSA-N -1 0 321.358 2.946 50 5 DFBARM O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097237049 426461760 /nfs/dbraw/zinc/46/17/60/426461760.db2.gz JTNRSXCQWZKWKF-UHFFFAOYSA-N -1 0 324.296 2.738 50 5 DFBARM COc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000004641518 295374859 /nfs/dbraw/zinc/37/48/59/295374859.db2.gz FIKRTEMTXXBXTN-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nccs1 ZINC000123585920 298496729 /nfs/dbraw/zinc/49/67/29/298496729.db2.gz AZXREKDZZHDBLW-SECBINFHSA-N -1 0 321.358 2.633 50 5 DFBARM Cc1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)c(C)c1 ZINC000000521972 301477108 /nfs/dbraw/zinc/47/71/08/301477108.db2.gz ORTSIKNVCAERPM-UHFFFAOYSA-N -1 0 317.348 2.796 50 5 DFBARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000013467737 301643217 /nfs/dbraw/zinc/64/32/17/301643217.db2.gz UEXKHZZFXLMYOJ-QWRGUYRKSA-N -1 0 304.302 2.509 50 5 DFBARM O=[N+]([O-])c1cc(Cl)cc([S@](=O)[O-])c1Br ZINC000675059193 563910286 /nfs/dbraw/zinc/91/02/86/563910286.db2.gz CHVLLAIBPRMFOJ-UHFFFAOYSA-N -1 0 300.517 2.591 50 5 DFBARM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005027813 181192437 /nfs/dbraw/zinc/19/24/37/181192437.db2.gz VNODKLRIGSCJNF-UHFFFAOYSA-N -1 0 320.326 2.598 50 5 DFBARM O=C([O-])c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005041948 181195196 /nfs/dbraw/zinc/19/51/96/181195196.db2.gz VAQVXRWMZJDGIN-UHFFFAOYSA-N -1 0 315.285 2.615 50 5 DFBARM CN(C)c1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000170599376 399008079 /nfs/dbraw/zinc/00/80/79/399008079.db2.gz OXIMJEGAKIKSHN-UHFFFAOYSA-N -1 0 315.329 2.643 50 5 DFBARM Cc1c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cccc1N(C)C ZINC000252495828 542947335 /nfs/dbraw/zinc/94/73/35/542947335.db2.gz PCPFPEIZXMWKEA-UHFFFAOYSA-N -1 0 315.329 2.927 50 5 DFBARM CC(C)N(c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000585655896 543461033 /nfs/dbraw/zinc/46/10/33/543461033.db2.gz HDCZTGYEXRCLET-UHFFFAOYSA-N -1 0 311.294 2.824 50 5 DFBARM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000000436591 425559750 /nfs/dbraw/zinc/55/97/50/425559750.db2.gz ZWNSBCLIDDQMQX-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000000578646 425569026 /nfs/dbraw/zinc/56/90/26/425569026.db2.gz BQBZTQZQGGHIPX-UHFFFAOYSA-N -1 0 319.338 2.560 50 5 DFBARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000002381563 425592694 /nfs/dbraw/zinc/59/26/94/425592694.db2.gz VSSDZTCJXHBUGF-NSHDSACASA-N -1 0 310.306 2.635 50 5 DFBARM COCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000025335563 425804519 /nfs/dbraw/zinc/80/45/19/425804519.db2.gz IWDFSJQRQBRTMM-UHFFFAOYSA-N -1 0 302.286 2.699 50 5 DFBARM COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000130324141 426154514 /nfs/dbraw/zinc/15/45/14/426154514.db2.gz YAAHQSJAPDUSRO-UHFFFAOYSA-N -1 0 316.313 2.581 50 5 DFBARM CS[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000117426979 426214308 /nfs/dbraw/zinc/21/43/08/426214308.db2.gz ASVYBVDMANILKP-QWRGUYRKSA-N -1 0 310.375 2.704 50 5 DFBARM Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000225404360 426599474 /nfs/dbraw/zinc/59/94/74/426599474.db2.gz PPITVMRUTRQGLN-ZANVPECISA-N -1 0 321.333 2.620 50 5 DFBARM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000097374571 323209574 /nfs/dbraw/zinc/20/95/74/323209574.db2.gz LUHSKKCHPMHRID-UHFFFAOYSA-N -1 0 308.240 2.855 50 5 DFBARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000003832976 181048138 /nfs/dbraw/zinc/04/81/38/181048138.db2.gz IELVKTHXVAQOKO-UHFFFAOYSA-N -1 0 322.342 2.713 50 5 DFBARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004901873 181170484 /nfs/dbraw/zinc/17/04/84/181170484.db2.gz BNTBMODNVKLBDI-UWVGGRQHSA-N -1 0 324.720 2.854 50 5 DFBARM Cc1c(NC(=O)c2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000038859 425531630 /nfs/dbraw/zinc/53/16/30/425531630.db2.gz UEAPULVBSRZXTA-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1OCc1ccccc1 ZINC000003136390 425610273 /nfs/dbraw/zinc/61/02/73/425610273.db2.gz CHHDARRAUVXDAO-UHFFFAOYSA-N -1 0 303.270 2.881 50 5 DFBARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000000436597 425560416 /nfs/dbraw/zinc/56/04/16/425560416.db2.gz LILWYXIUYKIXSH-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000001511433 425580932 /nfs/dbraw/zinc/58/09/32/425580932.db2.gz YVRNZWQAHNNCJF-UHFFFAOYSA-N -1 0 300.270 2.854 50 5 DFBARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002739974 425600731 /nfs/dbraw/zinc/60/07/31/425600731.db2.gz ODYLVNNFONTPPI-VHSXEESVSA-N -1 0 324.720 2.854 50 5 DFBARM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2ccccc2)CC1 ZINC000004639246 425619724 /nfs/dbraw/zinc/61/97/24/425619724.db2.gz PPJSSEWXZJRLLD-UHFFFAOYSA-N -1 0 313.357 2.623 50 5 DFBARM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000119103521 426262483 /nfs/dbraw/zinc/26/24/83/426262483.db2.gz GSEYNALJPIPKPN-XJKSGUPXSA-N -1 0 322.361 2.576 50 5 DFBARM CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000095972852 426380359 /nfs/dbraw/zinc/38/03/59/426380359.db2.gz LSKZFUPYNCXWHZ-UHFFFAOYSA-N -1 0 308.334 2.524 50 5 DFBARM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](C)c1cccnc1 ZINC000097097437 426448160 /nfs/dbraw/zinc/44/81/60/426448160.db2.gz HIDBVSZPRDPLRE-NSHDSACASA-N -1 0 315.329 2.919 50 5 DFBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2)c([N+](=O)[O-])n1 ZINC000008435496 275033845 /nfs/dbraw/zinc/03/38/45/275033845.db2.gz XLXYGJXWTQPRCP-UHFFFAOYSA-N -1 0 305.206 2.550 50 5 DFBARM COc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)[O-] ZINC000000537394 295276946 /nfs/dbraw/zinc/27/69/46/295276946.db2.gz MIPIKQPSSUPSSR-UHFFFAOYSA-N -1 0 307.309 2.831 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005618200 301863571 /nfs/dbraw/zinc/86/35/71/301863571.db2.gz IOCVTBDTUSMFMC-NEPJUHHUSA-N -1 0 304.302 2.509 50 5 DFBARM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1c(C)noc1C ZINC000097097558 337382109 /nfs/dbraw/zinc/38/21/09/337382109.db2.gz TWVWWCNIBJUJRT-GFCCVEGCSA-N -1 0 319.317 2.786 50 5 DFBARM CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000087833937 185232925 /nfs/dbraw/zinc/23/29/25/185232925.db2.gz JUXADKUAOFGHOD-UHFFFAOYSA-N -1 0 303.112 2.632 50 5 DFBARM CCc1nn(C)cc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097114581 185412617 /nfs/dbraw/zinc/41/26/17/185412617.db2.gz QUOXOMREFRMIHZ-UHFFFAOYSA-N -1 0 324.724 2.502 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1ccccc1CO ZINC000000086237 180688120 /nfs/dbraw/zinc/68/81/20/180688120.db2.gz VOZWFYOFWAVYFW-UHFFFAOYSA-N -1 0 305.311 2.937 50 5 DFBARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005126814 181206252 /nfs/dbraw/zinc/20/62/52/181206252.db2.gz ZIQLPUKEKLUFKR-UHFFFAOYSA-N -1 0 310.306 2.843 50 5 DFBARM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000005260039 181223453 /nfs/dbraw/zinc/22/34/53/181223453.db2.gz HCXZPXIHVJNCGZ-UHFFFAOYSA-N -1 0 306.343 2.958 50 5 DFBARM O=C([N-]c1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])s1 ZINC000004276169 284440382 /nfs/dbraw/zinc/44/03/82/284440382.db2.gz UDKJHSALNPYOAB-UHFFFAOYSA-N -1 0 316.298 2.959 50 5 DFBARM O=C([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2O)c([N+](=O)[O-])c1 ZINC000004409553 304227785 /nfs/dbraw/zinc/22/77/85/304227785.db2.gz IBORHNBBMRNGQO-UHFFFAOYSA-N -1 0 319.229 2.650 50 5 DFBARM COC(=O)NC(=S)[N-]c1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000008205383 425663276 /nfs/dbraw/zinc/66/32/76/425663276.db2.gz JDYXZKJWEWAYSN-UHFFFAOYSA-N -1 0 324.145 2.954 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005618201 425624700 /nfs/dbraw/zinc/62/47/00/425624700.db2.gz IOCVTBDTUSMFMC-VXGBXAGGSA-N -1 0 304.302 2.509 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005618207 425625323 /nfs/dbraw/zinc/62/53/23/425625323.db2.gz IOCVTBDTUSMFMC-NWDGAFQWSA-N -1 0 304.302 2.509 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000036385437 425845841 /nfs/dbraw/zinc/84/58/41/425845841.db2.gz APLQPWVHVHFXTQ-SECBINFHSA-N -1 0 318.251 2.715 50 5 DFBARM O=c1cc([O-])c2c(=O)n(-c3ccccc3)c3ccccc3c2o1 ZINC000100286630 426482019 /nfs/dbraw/zinc/48/20/19/426482019.db2.gz JULHLMULLDMMOV-UHFFFAOYSA-N -1 0 305.289 2.803 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1c1ccccn1 ZINC000169961763 563901877 /nfs/dbraw/zinc/90/18/77/563901877.db2.gz GTUALHDEDCDTOK-ZDUSSCGKSA-N -1 0 313.313 2.673 50 5 DFBARM O=C(CCc1ccccn1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097060081 185404909 /nfs/dbraw/zinc/40/49/09/185404909.db2.gz XAEMKLAMDBEITJ-UHFFFAOYSA-N -1 0 321.720 2.920 50 5 DFBARM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000097236998 398667402 /nfs/dbraw/zinc/66/74/02/398667402.db2.gz QNIUBBSMFJQFKT-VIFPVBQESA-N -1 0 306.343 2.895 50 5 DFBARM CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000003887869 181053003 /nfs/dbraw/zinc/05/30/03/181053003.db2.gz IWYFGKJOJCJJBV-UHFFFAOYSA-N -1 0 300.270 2.566 50 5 DFBARM Cc1csc(C(=O)[O-])c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004105323 181074022 /nfs/dbraw/zinc/07/40/22/181074022.db2.gz MFOPMXBHLASXHJ-UHFFFAOYSA-N -1 0 306.299 2.915 50 5 DFBARM O=C([O-])c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004600570 181128527 /nfs/dbraw/zinc/12/85/27/181128527.db2.gz UPNNOOAADGYKFC-JXMROGBWSA-N -1 0 312.281 2.945 50 5 DFBARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000004657104 181132736 /nfs/dbraw/zinc/13/27/36/181132736.db2.gz UMTZIGJKVNAMAJ-ZJUUUORDSA-N -1 0 310.281 2.563 50 5 DFBARM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004628585 181130809 /nfs/dbraw/zinc/13/08/09/181130809.db2.gz BJSZGKKHYSIDSO-VXGBXAGGSA-N -1 0 306.318 2.733 50 5 DFBARM O=C([O-])CCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004832859 181158809 /nfs/dbraw/zinc/15/88/09/181158809.db2.gz GZFNLWXKUDUFFH-UHFFFAOYSA-N -1 0 323.330 2.788 50 5 DFBARM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000004845937 181162669 /nfs/dbraw/zinc/16/26/69/181162669.db2.gz ZHASBSKAVORXGD-UHFFFAOYSA-N -1 0 316.269 2.554 50 5 DFBARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004641417 304099579 /nfs/dbraw/zinc/09/95/79/304099579.db2.gz BNTBMODNVKLBDI-VHSXEESVSA-N -1 0 324.720 2.854 50 5 DFBARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004724937 304099588 /nfs/dbraw/zinc/09/95/88/304099588.db2.gz VIGYDMAWHBBEIT-VXGBXAGGSA-N -1 0 324.720 2.767 50 5 DFBARM COCc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000166118574 398993279 /nfs/dbraw/zinc/99/32/79/398993279.db2.gz PCMWMUGXSRQYHY-UHFFFAOYSA-N -1 0 320.276 2.838 50 5 DFBARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017054517 182071910 /nfs/dbraw/zinc/07/19/10/182071910.db2.gz ZQNRZKWNLULXKS-FMPDERDJSA-N -1 0 318.329 2.670 50 5 DFBARM O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)cc1 ZINC000066139505 184392499 /nfs/dbraw/zinc/39/24/99/184392499.db2.gz FHTDWPRNGLZIRR-UHFFFAOYSA-N -1 0 305.202 2.784 50 5 DFBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000004814491 285138754 /nfs/dbraw/zinc/13/87/54/285138754.db2.gz AKPROZFEICUQDY-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM O=c1oc2c(O)cccc2cc1-c1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC000020615302 285228065 /nfs/dbraw/zinc/22/80/65/285228065.db2.gz QPGIHMNLASNIAY-UHFFFAOYSA-N -1 0 323.264 2.950 50 5 DFBARM C[C@H](c1ccncc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000120944026 195268683 /nfs/dbraw/zinc/26/86/83/195268683.db2.gz CPAGVPZPAPIFPD-SNVBAGLBSA-N -1 0 301.302 2.529 50 5 DFBARM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000132214796 196235978 /nfs/dbraw/zinc/23/59/78/196235978.db2.gz YYRRWDCBDMEINC-CYBMUJFWSA-N -1 0 315.329 2.919 50 5 DFBARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000002572733 425597199 /nfs/dbraw/zinc/59/71/99/425597199.db2.gz HTDDLFNQWIQXQX-NSHDSACASA-N -1 0 324.333 2.505 50 5 DFBARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002739977 425599843 /nfs/dbraw/zinc/59/98/43/425599843.db2.gz ODYLVNNFONTPPI-ZJUUUORDSA-N -1 0 324.720 2.854 50 5 DFBARM O=C([O-])c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 ZINC000003879035 425616379 /nfs/dbraw/zinc/61/63/79/425616379.db2.gz TVTWCIQTDFRIBH-UHFFFAOYSA-N -1 0 300.230 2.573 50 5 DFBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000028794328 425823916 /nfs/dbraw/zinc/82/39/16/425823916.db2.gz SAEPQAQBCCWCAK-UHFFFAOYSA-N -1 0 314.269 2.674 50 5 DFBARM O=C(COc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035832784 425844460 /nfs/dbraw/zinc/84/44/60/425844460.db2.gz YXGSXVAENCBGPH-UHFFFAOYSA-N -1 0 322.704 2.971 50 5 DFBARM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnccc2C)c1C ZINC000089626633 426299449 /nfs/dbraw/zinc/29/94/49/426299449.db2.gz WIRJMDBIIPXVAD-UHFFFAOYSA-N -1 0 321.358 2.716 50 5 DFBARM O=C(NCCc1cccc(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000096004271 426387561 /nfs/dbraw/zinc/38/75/61/426387561.db2.gz FUFFXXFEQXRNRP-UHFFFAOYSA-N -1 0 320.732 2.926 50 5 DFBARM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccn1 ZINC000096437086 426424485 /nfs/dbraw/zinc/42/44/85/426424485.db2.gz KSHAAWPFHKGNHD-OAHLLOKOSA-N -1 0 315.329 2.823 50 5 DFBARM Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000225404405 426599770 /nfs/dbraw/zinc/59/97/70/426599770.db2.gz PPITVMRUTRQGLN-NOZJJQNGSA-N -1 0 321.333 2.620 50 5 DFBARM CC1=C(C)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000004651855 281663048 /nfs/dbraw/zinc/66/30/48/281663048.db2.gz GILTVGMGRNATNP-ZIAGYGMSSA-N -1 0 318.329 2.981 50 5 DFBARM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1c1ccco1 ZINC000097097414 337382154 /nfs/dbraw/zinc/38/21/54/337382154.db2.gz PZCXYUBUIQLIQL-GFCCVEGCSA-N -1 0 302.286 2.871 50 5 DFBARM