smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000593288329 398590887 /nfs/dbraw/zinc/59/08/87/398590887.db2.gz HXDCJIPURIDMSO-CYBMUJFWSA-N -1 1 310.350 2.677 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](C2CCCCC2)C1 ZINC000598152067 398762087 /nfs/dbraw/zinc/76/20/87/398762087.db2.gz CSHYXCBGYQFIDQ-LBPRGKRZSA-N -1 1 319.361 2.738 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CC1CCCC1 ZINC000594419531 398796120 /nfs/dbraw/zinc/79/61/20/398796120.db2.gz XAJJLZALDUKISV-CYBMUJFWSA-N -1 1 319.361 2.880 20 5 DFBDMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416555991 295954449 /nfs/dbraw/zinc/95/44/49/295954449.db2.gz XWRKFGLWHRPCDD-WCBMZHEXSA-N -1 1 318.782 2.571 20 5 DFBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000135049882 398869235 /nfs/dbraw/zinc/86/92/35/398869235.db2.gz FOUHDDJSHSYHFI-NSHDSACASA-N -1 1 312.391 2.979 20 5 DFBDMM CCC1(CC)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598773153 398871405 /nfs/dbraw/zinc/87/14/05/398871405.db2.gz JMPMCVKYFYMMEB-UHFFFAOYSA-N -1 1 307.350 2.738 20 5 DFBDMM C[C@@H](c1ccco1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000188264174 200218593 /nfs/dbraw/zinc/21/85/93/200218593.db2.gz BDRDRNHYTMOWIH-VIFPVBQESA-N -1 1 317.301 2.654 20 5 DFBDMM CC(C)(C)[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193591674 201082547 /nfs/dbraw/zinc/08/25/47/201082547.db2.gz KBBCSFNIZHUZQI-LBPRGKRZSA-N -1 1 321.377 2.984 20 5 DFBDMM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193732157 201113580 /nfs/dbraw/zinc/11/35/80/201113580.db2.gz JTIOVKXQATUQFL-JQWIXIFHSA-N -1 1 307.350 2.736 20 5 DFBDMM O=C(Nc1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000264912866 283925425 /nfs/dbraw/zinc/92/54/25/283925425.db2.gz KCWXRTMZSTTYSZ-UHFFFAOYSA-N -1 1 301.302 2.964 20 5 DFBDMM C/C=C\C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000600839512 399158865 /nfs/dbraw/zinc/15/88/65/399158865.db2.gz ZVXRAVPTZPXXMJ-OTDNITJGSA-N -1 1 305.334 2.514 20 5 DFBDMM C[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601512517 399294990 /nfs/dbraw/zinc/29/49/90/399294990.db2.gz RKHBERPNMFEMLL-MRVPVSSYSA-N -1 1 304.393 2.513 20 5 DFBDMM CCN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000609074340 399302927 /nfs/dbraw/zinc/30/29/27/399302927.db2.gz YNCRPGGMYGAHRN-UHFFFAOYSA-N -1 1 300.318 2.558 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCCCC2)CC1 ZINC000187065172 296283396 /nfs/dbraw/zinc/28/33/96/296283396.db2.gz ADHGMWAZJAJOIR-UHFFFAOYSA-N -1 1 319.361 2.882 20 5 DFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000147019229 542661619 /nfs/dbraw/zinc/66/16/19/542661619.db2.gz RTCMYPCHESERQJ-SNVBAGLBSA-N -1 1 320.798 2.961 20 5 DFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000127820106 296499615 /nfs/dbraw/zinc/49/96/15/296499615.db2.gz SQKKHBHZGVZBGW-SNVBAGLBSA-N -1 1 316.766 2.635 20 5 DFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000172165467 145293421 /nfs/dbraw/zinc/29/34/21/145293421.db2.gz XHJAPFHCMZCARK-MRVPVSSYSA-N -1 1 304.393 2.513 20 5 DFBDMM O=C(c1cc(F)ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088463684 267457391 /nfs/dbraw/zinc/45/73/91/267457391.db2.gz UCGUDDOEKGAXHP-UHFFFAOYSA-N -1 1 316.288 2.638 20 5 DFBDMM CCc1[nH]nc(C(=O)[N-]c2ccc(O)cc2SC)c1[N+](=O)[O-] ZINC000192937462 268055312 /nfs/dbraw/zinc/05/53/12/268055312.db2.gz FJMJJVYUKAYPDT-UHFFFAOYSA-N -1 1 322.346 2.560 20 5 DFBDMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193671670 268075847 /nfs/dbraw/zinc/07/58/47/268075847.db2.gz YNFPEMXPYJFCCC-GXSJLCMTSA-N -1 1 307.350 2.640 20 5 DFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000186745824 426588556 /nfs/dbraw/zinc/58/85/56/426588556.db2.gz PVDNIFQHTFJVSH-MRVPVSSYSA-N -1 1 321.720 2.840 20 5 DFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000186733099 426589816 /nfs/dbraw/zinc/58/98/16/426589816.db2.gz WQEKEWBOGFKUHB-MRVPVSSYSA-N -1 1 321.720 2.840 20 5 DFBDMM CCCC[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188390108 426748818 /nfs/dbraw/zinc/74/88/18/426748818.db2.gz KRDLUSLYJRYQOA-JQWIXIFHSA-N -1 1 307.350 2.784 20 5 DFBDMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000294120092 427555119 /nfs/dbraw/zinc/55/51/19/427555119.db2.gz KJTGNRQWYGFYSO-NSHDSACASA-N -1 1 301.302 2.679 20 5 DFBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000339122590 427688400 /nfs/dbraw/zinc/68/84/00/427688400.db2.gz AZZDFKKDIQRHTA-WBVHZDCISA-N -1 1 314.341 2.920 20 5 DFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000185789910 427706548 /nfs/dbraw/zinc/70/65/48/427706548.db2.gz XNWHXLAYDWGMLM-GHMZBOCLSA-N -1 1 315.329 2.617 20 5 DFBDMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000345996878 272560048 /nfs/dbraw/zinc/56/00/48/272560048.db2.gz LMEMEVAEBLJTNA-QMMMGPOBSA-N -1 1 304.393 2.513 20 5 DFBDMM CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000356098646 428020409 /nfs/dbraw/zinc/02/04/09/428020409.db2.gz PRIZJJZBTZDYEC-UHFFFAOYSA-N -1 1 304.306 2.749 20 5 DFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](C)c1ccccc1 ZINC000352962254 428328502 /nfs/dbraw/zinc/32/85/02/428328502.db2.gz ZUHUKCITVRVPGW-WDEREUQCSA-N -1 1 315.329 2.617 20 5 DFBDMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352962253 428328613 /nfs/dbraw/zinc/32/86/13/428328613.db2.gz ZUHUKCITVRVPGW-QWRGUYRKSA-N -1 1 315.329 2.617 20 5 DFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCCC2)s1 ZINC000352996025 428344038 /nfs/dbraw/zinc/34/40/38/428344038.db2.gz ZDSJPIPRFCAJJU-UHFFFAOYSA-N -1 1 318.420 2.905 20 5 DFBDMM CCO[C@@H]1C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000353777544 428711064 /nfs/dbraw/zinc/71/10/64/428711064.db2.gz BKPISIUUXZHVBF-LSDHHAIUSA-N -1 1 308.378 2.936 20 5 DFBDMM Cc1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000358875464 428714506 /nfs/dbraw/zinc/71/45/06/428714506.db2.gz XHKWARYELACHHI-UHFFFAOYSA-N -1 1 312.738 2.969 20 5 DFBDMM Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1 ZINC000353849165 428746745 /nfs/dbraw/zinc/74/67/45/428746745.db2.gz ZBRZTMNBYVJBBI-NSHDSACASA-N -1 1 315.329 2.803 20 5 DFBDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000426798347 429416835 /nfs/dbraw/zinc/41/68/35/429416835.db2.gz DWRWGAKHUUIZNE-OAHLLOKOSA-N -1 1 318.304 2.958 20 5 DFBDMM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000426828556 429420089 /nfs/dbraw/zinc/42/00/89/429420089.db2.gz WIDOMJVPULTCHK-CQSZACIVSA-N -1 1 304.277 2.649 20 5 DFBDMM COC(=O)c1c[n-]c(S[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000432666878 429833716 /nfs/dbraw/zinc/83/37/16/429833716.db2.gz HBEDVVQBTFKDTI-MRVPVSSYSA-N -1 1 307.331 2.958 20 5 DFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000583637087 430415228 /nfs/dbraw/zinc/41/52/28/430415228.db2.gz YNOJVBQRUQBDGW-FZMZJTMJSA-N -1 1 322.361 2.677 20 5 DFBDMM CCN(CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000584237173 430472055 /nfs/dbraw/zinc/47/20/55/430472055.db2.gz NHJRSLKKCJOLCG-UHFFFAOYSA-N -1 1 310.350 2.679 20 5 DFBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000187148148 288055355 /nfs/dbraw/zinc/05/53/55/288055355.db2.gz RBJQKYPZYRGZPL-QMTHXVAHSA-N -1 1 313.313 2.529 20 5 DFBDMM O=C(NC1(c2ccccc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191350608 279817378 /nfs/dbraw/zinc/81/73/78/279817378.db2.gz RNZKRCYFEYYIQX-UHFFFAOYSA-N -1 1 313.313 2.505 20 5 DFBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1[O-] ZINC000436818600 297037087 /nfs/dbraw/zinc/03/70/87/297037087.db2.gz GGJRKZUBRXEEQA-UHFFFAOYSA-N -1 1 320.732 2.926 20 5 DFBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc(F)c2F)n1 ZINC000441571911 297186206 /nfs/dbraw/zinc/18/62/06/297186206.db2.gz MVANERLXIRBOCV-UHFFFAOYSA-N -1 1 316.651 2.512 20 5 DFBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000444227624 297233556 /nfs/dbraw/zinc/23/35/56/297233556.db2.gz ZVYSWSMJQXJADB-RKDXNWHRSA-N -1 1 318.782 2.715 20 5 DFBDMM Cc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000444856627 297253975 /nfs/dbraw/zinc/25/39/75/297253975.db2.gz IYBOXAFVUFCKHF-LLVKDONJSA-N -1 1 315.329 2.803 20 5 DFBDMM C[C@@H]1CCC[C@H](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444996285 297257601 /nfs/dbraw/zinc/25/76/01/297257601.db2.gz AJLSUWVEWVZAHJ-GHMZBOCLSA-N -1 1 307.350 2.642 20 5 DFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H](C)C1 ZINC000457005541 298620807 /nfs/dbraw/zinc/62/08/07/298620807.db2.gz OUXLVRYYOHMOSS-OUAUKWLOSA-N -1 1 307.350 2.640 20 5 DFBDMM CC(C)CC(CC(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445190185 316985928 /nfs/dbraw/zinc/98/59/28/316985928.db2.gz KKDCFWJMZGVFRR-UHFFFAOYSA-N -1 1 309.366 2.886 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC12CCCCC2 ZINC000573018854 318011495 /nfs/dbraw/zinc/01/14/95/318011495.db2.gz FWVPLOOWXLXYNV-UHFFFAOYSA-N -1 1 323.374 2.545 20 5 DFBDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SC)c1[N+](=O)[O-] ZINC000171730500 536008524 /nfs/dbraw/zinc/00/85/24/536008524.db2.gz DYUVBAQSJXIUKK-UHFFFAOYSA-N -1 1 306.347 2.855 20 5 DFBDMM Cc1ccc(C)c(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822232149 599341351 /nfs/dbraw/zinc/34/13/51/599341351.db2.gz VGAGCSKDIYGUEW-UHFFFAOYSA-N -1 1 312.289 2.579 20 5 DFBDMM Cc1ccc(C)c(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822232149 599341354 /nfs/dbraw/zinc/34/13/54/599341354.db2.gz VGAGCSKDIYGUEW-UHFFFAOYSA-N -1 1 312.289 2.579 20 5 DFBDMM CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000739358624 602547204 /nfs/dbraw/zinc/54/72/04/602547204.db2.gz DTALNRALCSOAPI-ZDUSSCGKSA-N -1 1 307.350 2.559 20 5 DFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000826041783 603564958 /nfs/dbraw/zinc/56/49/58/603564958.db2.gz JUOMZMJQNORASV-WZRBSPASSA-N -1 1 307.350 2.634 20 5 DFBDMM O=C([O-])Nc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000833288348 604596738 /nfs/dbraw/zinc/59/67/38/604596738.db2.gz KVCJXDQCBWIBIV-UHFFFAOYSA-N -1 1 317.257 2.643 20 5 DFBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)[O-])CC1 ZINC000833907210 605550838 /nfs/dbraw/zinc/55/08/38/605550838.db2.gz CLMLOSYWKVAVPG-NSHDSACASA-N -1 1 307.350 2.696 20 5 DFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCCCCCC1 ZINC000823620772 607161173 /nfs/dbraw/zinc/16/11/73/607161173.db2.gz PUSRATMANIEDJK-UHFFFAOYSA-N -1 1 317.353 2.695 20 5 DFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCCCCCC1 ZINC000823620772 607161175 /nfs/dbraw/zinc/16/11/75/607161175.db2.gz PUSRATMANIEDJK-UHFFFAOYSA-N -1 1 317.353 2.695 20 5 DFBDMM O=[N+]([O-])c1cc(COc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000826497863 607865791 /nfs/dbraw/zinc/86/57/91/607865791.db2.gz XATXJNWCLTXRFN-UHFFFAOYSA-N -1 1 321.293 2.555 20 5 DFBDMM O=[N+]([O-])c1cc(COc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000826497863 607865792 /nfs/dbraw/zinc/86/57/92/607865792.db2.gz XATXJNWCLTXRFN-UHFFFAOYSA-N -1 1 321.293 2.555 20 5 DFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Cl ZINC000015611396 398396882 /nfs/dbraw/zinc/39/68/82/398396882.db2.gz PAIPFRRPPUVYNN-MRVPVSSYSA-N -1 1 321.720 2.840 20 5 DFBDMM CN(CCCCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000181541710 199314761 /nfs/dbraw/zinc/31/47/61/199314761.db2.gz UNEOWVLORCPKGD-UHFFFAOYSA-N -1 1 300.742 2.935 20 5 DFBDMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592833945 398492890 /nfs/dbraw/zinc/49/28/90/398492890.db2.gz LWDYXVBMVCWICG-CQSZACIVSA-N -1 1 319.361 2.784 20 5 DFBDMM COCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000095627752 398657867 /nfs/dbraw/zinc/65/78/67/398657867.db2.gz VDCFEGVMAPTEGA-UHFFFAOYSA-N -1 1 322.342 2.542 20 5 DFBDMM CCCCN(CCOC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736689 398679038 /nfs/dbraw/zinc/67/90/38/398679038.db2.gz SKLIHIFXUKWAQV-UHFFFAOYSA-N -1 1 310.350 2.542 20 5 DFBDMM CC[C@@H](CSC)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740441 398679627 /nfs/dbraw/zinc/67/96/27/398679627.db2.gz YKBINNKJARCSKL-LBPRGKRZSA-N -1 1 312.391 2.866 20 5 DFBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000593747824 398680310 /nfs/dbraw/zinc/68/03/10/398680310.db2.gz CPAYAHOIZYUGQZ-BXUZGUMPSA-N -1 1 322.361 2.536 20 5 DFBDMM O=C(N[C@H]1CCCC12CCCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597873331 398710022 /nfs/dbraw/zinc/71/00/22/398710022.db2.gz HYTNLCIROAWPAQ-ZDUSSCGKSA-N -1 1 319.361 2.928 20 5 DFBDMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288681967 291049754 /nfs/dbraw/zinc/04/97/54/291049754.db2.gz TZEKQDSEBVYFRL-JQWIXIFHSA-N -1 1 321.377 2.982 20 5 DFBDMM CCC1(CC)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598221002 398774398 /nfs/dbraw/zinc/77/43/98/398774398.db2.gz TZKPRKAURXOMOW-UHFFFAOYSA-N -1 1 307.350 2.738 20 5 DFBDMM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000416557212 295954581 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O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCC1CCCC1 ZINC000823625170 607166822 /nfs/dbraw/zinc/16/68/22/607166822.db2.gz RWWYMRXYFRCCMN-UHFFFAOYSA-N -1 1 317.353 2.552 20 5 DFBDMM Cc1c(CNC(=O)c2c(F)ccc([O-])c2F)cccc1[N+](=O)[O-] ZINC000589211276 398539484 /nfs/dbraw/zinc/53/94/84/398539484.db2.gz WAPRLYUIVRSRDI-UHFFFAOYSA-N -1 1 322.267 2.817 20 5 DFBDMM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N1[C@@H](C)CC[C@@H]1C ZINC000164295119 186155328 /nfs/dbraw/zinc/15/53/28/186155328.db2.gz YXLGETOLPZRXLS-DCAQKATOSA-N -1 1 307.350 2.500 20 5 DFBDMM O=C(N[C@@H]1CCCC12CCCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597873330 398710222 /nfs/dbraw/zinc/71/02/22/398710222.db2.gz HYTNLCIROAWPAQ-CYBMUJFWSA-N -1 1 319.361 2.928 20 5 DFBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416298886 295939746 /nfs/dbraw/zinc/93/97/46/295939746.db2.gz ZMICJYODVATDGF-NEPJUHHUSA-N -1 1 321.377 2.982 20 5 DFBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416298887 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DFBDMM Cc1ccc([O-])c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000447633109 297311882 /nfs/dbraw/zinc/31/18/82/297311882.db2.gz URGNDGNAWGHYFU-UHFFFAOYSA-N -1 1 307.693 2.910 20 5 DFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1C ZINC000451068996 297741671 /nfs/dbraw/zinc/74/16/71/297741671.db2.gz DCPNQSOYPNIUMO-VIFPVBQESA-N -1 1 322.333 2.534 20 5 DFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(F)F ZINC000451084553 297745246 /nfs/dbraw/zinc/74/52/46/297745246.db2.gz PULZPAKZFWXVOS-SECBINFHSA-N -1 1 322.333 2.534 20 5 DFBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000426834521 316827667 /nfs/dbraw/zinc/82/76/67/316827667.db2.gz OPJPMXNJUHWOCA-ZDUSSCGKSA-N -1 1 322.342 2.580 20 5 DFBDMM Cc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])[n-]1)C[C@@H](C)O2 ZINC000530636759 519102702 /nfs/dbraw/zinc/10/27/02/519102702.db2.gz SYIFSRRHEVEMCO-SNVBAGLBSA-N -1 1 301.302 2.659 20 5 DFBDMM COc1ccc([C@H](NCc2csc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737968629 599858006 /nfs/dbraw/zinc/85/80/06/599858006.db2.gz HJMGLMFCRFWJMQ-ZDUSSCGKSA-N -1 1 322.342 2.580 20 5 DFBDMM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000832916796 604587433 /nfs/dbraw/zinc/58/74/33/604587433.db2.gz ZBFNAEYRMKRRQL-UHFFFAOYSA-N -1 1 316.269 2.559 20 5 DFBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1ncccc1-c1nn[n-]n1 ZINC000823640190 606431009 /nfs/dbraw/zinc/43/10/09/606431009.db2.gz WVTFJROWIYAVJL-UHFFFAOYSA-N -1 1 318.680 2.616 20 5 DFBDMM CCCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC000821034716 606719089 /nfs/dbraw/zinc/71/90/89/606719089.db2.gz RVDVTHMQAIMHDV-UHFFFAOYSA-N -1 1 317.353 2.552 20 5 DFBDMM CCCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC000821034716 606719090 /nfs/dbraw/zinc/71/90/90/606719090.db2.gz RVDVTHMQAIMHDV-UHFFFAOYSA-N -1 1 317.353 2.552 20 5 DFBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826498288 607895734 /nfs/dbraw/zinc/89/57/34/607895734.db2.gz OMSAEUATZSIPSH-UHFFFAOYSA-N -1 1 318.680 2.616 20 5 DFBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826498288 607895735 /nfs/dbraw/zinc/89/57/35/607895735.db2.gz OMSAEUATZSIPSH-UHFFFAOYSA-N -1 1 318.680 2.616 20 5 DFBDMM CCc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000825717835 607899944 /nfs/dbraw/zinc/89/99/44/607899944.db2.gz RBIINGZYYDVCHY-UHFFFAOYSA-N -1 1 312.289 2.525 20 5 DFBDMM CCc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC000825717835 607899945 /nfs/dbraw/zinc/89/99/45/607899945.db2.gz RBIINGZYYDVCHY-UHFFFAOYSA-N -1 1 312.289 2.525 20 5 DFBDMM Cc1sc(C(=O)[N-]c2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000032060232 398525818 /nfs/dbraw/zinc/52/58/18/398525818.db2.gz RXQQSGHYWAOUMF-UHFFFAOYSA-N -1 1 310.360 2.946 20 5 DFBDMM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959750 398550359 /nfs/dbraw/zinc/55/03/59/398550359.db2.gz FVFHRJAGVJJVSV-WBMJQRKESA-N -1 1 316.361 2.580 20 5 DFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000597692078 398680288 /nfs/dbraw/zinc/68/02/88/398680288.db2.gz KNFZYDMCJIPGBJ-NSHDSACASA-N -1 1 318.333 2.539 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CC1CCCC1 ZINC000594419532 398796201 /nfs/dbraw/zinc/79/62/01/398796201.db2.gz XAJJLZALDUKISV-ZDUSSCGKSA-N -1 1 319.361 2.880 20 5 DFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCC2(CCCC2)CC1 ZINC000598763739 398869623 /nfs/dbraw/zinc/86/96/23/398869623.db2.gz QKEZLONSBLMWDA-UHFFFAOYSA-N -1 1 319.361 2.882 20 5 DFBDMM C[C@H](c1ccco1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000188264202 200218981 /nfs/dbraw/zinc/21/89/81/200218981.db2.gz BDRDRNHYTMOWIH-SECBINFHSA-N -1 1 317.301 2.654 20 5 DFBDMM CC(C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000189350450 200385571 /nfs/dbraw/zinc/38/55/71/200385571.db2.gz QVMCQYUIGFQUTI-UHFFFAOYSA-N -1 1 307.350 2.594 20 5 DFBDMM Cc1ccc([C@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193605948 201085081 /nfs/dbraw/zinc/08/50/81/201085081.db2.gz BWROFYUKCVDIAV-LLVKDONJSA-N -1 1 315.329 2.537 20 5 DFBDMM O=C([O-])[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000600673632 399113023 /nfs/dbraw/zinc/11/30/23/399113023.db2.gz GPTHRRLNJMZIFQ-TUAOUCFPSA-N -1 1 310.375 2.732 20 5 DFBDMM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000062844009 399174179 /nfs/dbraw/zinc/17/41/79/399174179.db2.gz SAGSXQHBPXTBMI-UHFFFAOYSA-N -1 1 312.753 2.935 20 5 DFBDMM CC[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420704184 296198207 /nfs/dbraw/zinc/19/82/07/296198207.db2.gz IOXCCHDIWPPUGW-MRVPVSSYSA-N -1 1 306.771 2.573 20 5 DFBDMM CC1(C)CCc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000421970124 296285903 /nfs/dbraw/zinc/28/59/03/296285903.db2.gz RADWXEQELYDJLJ-UHFFFAOYSA-N -1 1 306.347 2.856 20 5 DFBDMM O=C([N-]c1cnoc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570833 399381951 /nfs/dbraw/zinc/38/19/51/399381951.db2.gz VELXZPQQNFIJFU-UHFFFAOYSA-N -1 1 312.079 2.598 20 5 DFBDMM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c([O-])cccc1F ZINC000611294896 399459812 /nfs/dbraw/zinc/45/98/12/399459812.db2.gz SLVRKUJRUWIWKP-UHFFFAOYSA-N -1 1 320.276 2.847 20 5 DFBDMM Cc1cccc([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000355868366 147480539 /nfs/dbraw/zinc/48/05/39/147480539.db2.gz MUJHNHBZOFFCKY-NSHDSACASA-N -1 1 315.329 2.537 20 5 DFBDMM O=C(NC[C@H]1C[C@@H]1C1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357810831 148132340 /nfs/dbraw/zinc/13/23/40/148132340.db2.gz XTAPKZKHKIJFSM-DGCLKSJQSA-N -1 1 319.361 2.642 20 5 DFBDMM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000351569802 286156453 /nfs/dbraw/zinc/15/64/53/286156453.db2.gz WKQHPRPJTWANLE-QWRGUYRKSA-N -1 1 307.350 2.640 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(C2CCCC2)CC1 ZINC000373107127 150231867 /nfs/dbraw/zinc/23/18/67/150231867.db2.gz POVRYQKRTDXPGP-UHFFFAOYSA-N -1 1 319.361 2.738 20 5 DFBDMM CC(C)CC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000193689595 268076760 /nfs/dbraw/zinc/07/67/60/268076760.db2.gz ZCGISNIQUDAKCC-UHFFFAOYSA-N -1 1 307.350 2.642 20 5 DFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000127819865 426087867 /nfs/dbraw/zinc/08/78/67/426087867.db2.gz SQKKHBHZGVZBGW-JTQLQIEISA-N -1 1 316.766 2.635 20 5 DFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000127854457 426089465 /nfs/dbraw/zinc/08/94/65/426089465.db2.gz SCNBIKFFYAEMRT-VIFPVBQESA-N -1 1 316.766 2.635 20 5 DFBDMM CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N1CCCCC1 ZINC000092546056 426349821 /nfs/dbraw/zinc/34/98/21/426349821.db2.gz ZDMVMJAQUDOIMO-HNNXBMFYSA-N -1 1 321.377 2.749 20 5 DFBDMM CCC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000177539495 426493617 /nfs/dbraw/zinc/49/36/17/426493617.db2.gz KJXHTQONEONISR-UHFFFAOYSA-N -1 1 318.782 2.859 20 5 DFBDMM Cc1cccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000186631155 426566860 /nfs/dbraw/zinc/56/68/60/426566860.db2.gz LKEILHXEUJNKRP-UHFFFAOYSA-N -1 1 306.343 2.845 20 5 DFBDMM C[C@H](c1ccccc1F)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186889992 426605930 /nfs/dbraw/zinc/60/59/30/426605930.db2.gz UQNBSQIITVMNNN-SECBINFHSA-N -1 1 319.292 2.668 20 5 DFBDMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000266202535 426722670 /nfs/dbraw/zinc/72/26/70/426722670.db2.gz HTOFBMMIIXHXJU-LLVKDONJSA-N -1 1 314.345 2.656 20 5 DFBDMM O=C(c1cncc([O-])c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179018845 426737136 /nfs/dbraw/zinc/73/71/36/426737136.db2.gz CPBSOEONOFQSKG-UHFFFAOYSA-N -1 1 313.313 2.500 20 5 DFBDMM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000189027376 426810782 /nfs/dbraw/zinc/81/07/82/426810782.db2.gz JYVQQAYHAFCHMG-UHFFFAOYSA-N -1 1 306.409 2.617 20 5 DFBDMM Cc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000295485695 426976676 /nfs/dbraw/zinc/97/66/76/426976676.db2.gz ZXQQPVCROWYXGV-UHFFFAOYSA-N -1 1 315.329 2.584 20 5 DFBDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263342949 427467284 /nfs/dbraw/zinc/46/72/84/427467284.db2.gz NXBUNOIZQGKHNB-ONGXEEELSA-N -1 1 312.753 2.791 20 5 DFBDMM CC(C)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000342413515 272007781 /nfs/dbraw/zinc/00/77/81/272007781.db2.gz IHBHPDCFMWKHHV-UHFFFAOYSA-N -1 1 304.306 2.605 20 5 DFBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000339122177 427684635 /nfs/dbraw/zinc/68/46/35/427684635.db2.gz DBXWXLRMOICOMC-UHFFFAOYSA-N -1 1 324.296 2.943 20 5 DFBDMM Cc1cnc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000345805122 272543218 /nfs/dbraw/zinc/54/32/18/272543218.db2.gz OVQOWDQXPQQVBJ-UHFFFAOYSA-N -1 1 315.329 2.669 20 5 DFBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncoc1[C@@H]1CCCO1 ZINC000359458544 427860739 /nfs/dbraw/zinc/86/07/39/427860739.db2.gz QXIXZGIZXGNREV-NSHDSACASA-N -1 1 321.264 2.826 20 5 DFBDMM CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(Cl)c1 ZINC000340537424 427875200 /nfs/dbraw/zinc/87/52/00/427875200.db2.gz RJEFZHVALZSEPZ-UHFFFAOYSA-N -1 1 322.708 2.787 20 5 DFBDMM O=[N+]([O-])c1ccc(-c2nc(COCc3ccccc3)no2)[n-]1 ZINC000356423699 428171990 /nfs/dbraw/zinc/17/19/90/428171990.db2.gz LJGOQWJFITUYCA-UHFFFAOYSA-N -1 1 300.274 2.690 20 5 DFBDMM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343564064 428562039 /nfs/dbraw/zinc/56/20/39/428562039.db2.gz HYLUGEGIFITERF-UHFFFAOYSA-N -1 1 315.264 2.500 20 5 DFBDMM Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1 ZINC000353849164 428747420 /nfs/dbraw/zinc/74/74/20/428747420.db2.gz ZBRZTMNBYVJBBI-LLVKDONJSA-N -1 1 315.329 2.803 20 5 DFBDMM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000359360373 428938642 /nfs/dbraw/zinc/93/86/42/428938642.db2.gz MFUBVZAAQIOREA-UHFFFAOYSA-N -1 1 315.314 2.694 20 5 DFBDMM O=C([O-])C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000426698336 429409191 /nfs/dbraw/zinc/40/91/91/429409191.db2.gz ZYCGUYIFZQANKP-ZDUSSCGKSA-N -1 1 306.343 2.962 20 5 DFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC000457005542 429376909 /nfs/dbraw/zinc/37/69/09/429376909.db2.gz OUXLVRYYOHMOSS-VWYCJHECSA-N -1 1 307.350 2.640 20 5 DFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000518484043 429423022 /nfs/dbraw/zinc/42/30/22/429423022.db2.gz DPNVKEACYQZKDG-QMMMGPOBSA-N -1 1 306.409 2.759 20 5 DFBDMM C[C@@H](CCCC(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427960753 429480329 /nfs/dbraw/zinc/48/03/29/429480329.db2.gz QAAFBVGQBIJXBY-ZETCQYMHSA-N -1 1 321.255 2.546 20 5 DFBDMM Cc1ccc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000430708230 429711520 /nfs/dbraw/zinc/71/15/20/429711520.db2.gz SAUNWJFJXZXKOO-UHFFFAOYSA-N -1 1 315.329 2.584 20 5 DFBDMM CC(C)C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193700724 277495436 /nfs/dbraw/zinc/49/54/36/277495436.db2.gz MOZVDQOGLBQAJJ-LLVKDONJSA-N -1 1 307.350 2.594 20 5 DFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1CC(=O)[O-] ZINC000568063647 430313125 /nfs/dbraw/zinc/31/31/25/430313125.db2.gz PFAOOKPTDZDLCT-ZDUSSCGKSA-N -1 1 322.361 2.821 20 5 DFBDMM C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000568630209 430375527 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/nfs/dbraw/zinc/73/94/54/428739454.db2.gz XOJZSMHCMLYQMO-UHFFFAOYSA-N -1 1 315.314 2.694 20 5 DFBDMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000436189922 429187199 /nfs/dbraw/zinc/18/71/99/429187199.db2.gz ROBLQCWNQAGQHJ-UHFFFAOYSA-N -1 1 319.342 2.628 20 5 DFBDMM Cc1cccc(C)c1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445164755 429281798 /nfs/dbraw/zinc/28/17/98/429281798.db2.gz WHZNPOHHVZCEKK-NSHDSACASA-N -1 1 315.329 2.803 20 5 DFBDMM CC(C)(C)C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000457003204 429377012 /nfs/dbraw/zinc/37/70/12/429377012.db2.gz BDQYDOYOHKMWNY-SNVBAGLBSA-N -1 1 307.350 2.594 20 5 DFBDMM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000427179889 429436939 /nfs/dbraw/zinc/43/69/39/429436939.db2.gz WHHYCDOQICWIIS-UHFFFAOYSA-N -1 1 311.301 2.874 20 5 DFBDMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278112110 280800691 /nfs/dbraw/zinc/80/06/91/280800691.db2.gz KRYKARHYXYIDGW-CMPLNLGQSA-N -1 1 307.350 2.736 20 5 DFBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])cc1F ZINC000436676528 297024175 /nfs/dbraw/zinc/02/41/75/297024175.db2.gz QKLHITYMLYBFSR-UHFFFAOYSA-N -1 1 318.304 2.754 20 5 DFBDMM Cc1nc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2[nH]1 ZINC000436942196 297046851 /nfs/dbraw/zinc/04/68/51/297046851.db2.gz BKIHFECOVLEARW-UHFFFAOYSA-N -1 1 312.285 2.737 20 5 DFBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c2ncccc12 ZINC000547783837 301544617 /nfs/dbraw/zinc/54/46/17/301544617.db2.gz ABUQZDKREOIKOS-UHFFFAOYSA-N -1 1 312.285 2.732 20 5 DFBDMM COC(=O)c1cc(C)nc([N-]c2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000553053277 301702515 /nfs/dbraw/zinc/70/25/15/301702515.db2.gz OYJCXGHPHAJUCJ-UHFFFAOYSA-N -1 1 319.321 2.606 20 5 DFBDMM CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(C(=O)[O-])co1 ZINC000565256470 302213417 /nfs/dbraw/zinc/21/34/17/302213417.db2.gz ZKLLBOXNILNMMD-UHFFFAOYSA-N -1 1 304.302 2.561 20 5 DFBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000567834747 302391678 /nfs/dbraw/zinc/39/16/78/302391678.db2.gz UVCFBEYIXLXPSL-KGYLQXTDSA-N -1 1 319.361 2.736 20 5 DFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000076308591 304802496 /nfs/dbraw/zinc/80/24/96/304802496.db2.gz GPDKLBDIQAMGJL-SNVBAGLBSA-N -1 1 316.766 2.635 20 5 DFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3Cl)no2)[n-]1 ZINC000350818640 316429523 /nfs/dbraw/zinc/42/95/23/316429523.db2.gz WTMWXTRTMAZUDZ-UHFFFAOYSA-N -1 1 306.665 2.999 20 5 DFBDMM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000578289034 318250194 /nfs/dbraw/zinc/25/01/94/318250194.db2.gz RXFLWNHXBHXRND-PWSUYJOCSA-N -1 1 307.350 2.784 20 5 DFBDMM COc1ccc([N+](=O)[O-])cc1CNCc1cccc(C(=O)[O-])c1 ZINC000820853439 598203375 /nfs/dbraw/zinc/20/33/75/598203375.db2.gz MBLNBGIQSBBEOU-UHFFFAOYSA-N -1 1 316.313 2.591 20 5 DFBDMM Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000822267075 599341427 /nfs/dbraw/zinc/34/14/27/599341427.db2.gz NTVNLQNTZDXHJP-UHFFFAOYSA-N -1 1 312.289 2.579 20 5 DFBDMM Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000822267075 599341428 /nfs/dbraw/zinc/34/14/28/599341428.db2.gz NTVNLQNTZDXHJP-UHFFFAOYSA-N -1 1 312.289 2.579 20 5 DFBDMM Cc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826306949 607448842 /nfs/dbraw/zinc/44/88/42/607448842.db2.gz QXUMVWZFCGKTDW-UHFFFAOYSA-N -1 1 324.344 2.720 20 5 DFBDMM Cc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826306949 607448844 /nfs/dbraw/zinc/44/88/44/607448844.db2.gz QXUMVWZFCGKTDW-UHFFFAOYSA-N -1 1 324.344 2.720 20 5 DFBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737718923 602534045 /nfs/dbraw/zinc/53/40/45/602534045.db2.gz AWPAKFZKWNOGJA-NSHDSACASA-N -1 1 307.350 2.730 20 5 DFBDMM CCN(CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000827099072 603514235 /nfs/dbraw/zinc/51/42/35/603514235.db2.gz KTLMKIBDUOLLJM-UHFFFAOYSA-N -1 1 321.377 2.807 20 5 DFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825639850 603977301 /nfs/dbraw/zinc/97/73/01/603977301.db2.gz VSHUFUKSBRUQDG-XQQFMLRXSA-N -1 1 319.361 2.873 20 5 DFBDMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000833178950 604789213 /nfs/dbraw/zinc/78/92/13/604789213.db2.gz WHBJQZWVVGXIFG-LLVKDONJSA-N -1 1 324.764 2.935 20 5 DFBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000833907983 605548817 /nfs/dbraw/zinc/54/88/17/605548817.db2.gz YOAXGTHDBZHUOI-AAEUAGOBSA-N -1 1 307.350 2.648 20 5 DFBDMM O=C([O-])N[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000834178065 605988987 /nfs/dbraw/zinc/98/89/87/605988987.db2.gz XRXHESVHFUFHCD-VXGBXAGGSA-N -1 1 313.741 2.527 20 5 DFBDMM CC[C@@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820972287 606712265 /nfs/dbraw/zinc/71/22/65/606712265.db2.gz MKQCPABDDJIBPE-NXEZZACHSA-N -1 1 317.353 2.551 20 5 DFBDMM CC[C@@H]1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820972287 606712266 /nfs/dbraw/zinc/71/22/66/606712266.db2.gz MKQCPABDDJIBPE-NXEZZACHSA-N -1 1 317.353 2.551 20 5 DFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc(Cl)c1 ZINC000823629796 607162211 /nfs/dbraw/zinc/16/22/11/607162211.db2.gz HHIACBBKLZABHA-UHFFFAOYSA-N -1 1 318.680 2.616 20 5 DFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc(Cl)c1 ZINC000823629796 607162212 /nfs/dbraw/zinc/16/22/12/607162212.db2.gz HHIACBBKLZABHA-UHFFFAOYSA-N -1 1 318.680 2.616 20 5 DFBDMM O=[N+]([O-])c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826499281 608169707 /nfs/dbraw/zinc/16/97/07/608169707.db2.gz CJPLGBJVWDQJCT-UHFFFAOYSA-N -1 1 324.709 2.677 20 5 DFBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000319092967 231180729 /nfs/dbraw/zinc/18/07/29/231180729.db2.gz AFFCLCVKWDGTBR-LBPRGKRZSA-N -1 1 310.325 2.953 20 5 DFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Cl ZINC000015611397 398396864 /nfs/dbraw/zinc/39/68/64/398396864.db2.gz PAIPFRRPPUVYNN-QMMMGPOBSA-N -1 1 321.720 2.840 20 5 DFBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251551437 398417778 /nfs/dbraw/zinc/41/77/78/398417778.db2.gz QNNOCIANOUGBGC-GXFFZTMASA-N -1 1 310.375 2.548 20 5 DFBDMM CCc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000080923359 282626619 /nfs/dbraw/zinc/62/66/19/282626619.db2.gz LHSVYCUVKYYPQX-UHFFFAOYSA-N -1 1 306.343 2.958 20 5 DFBDMM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N1[C@H](C)CC[C@@H]1C ZINC000164295053 186155261 /nfs/dbraw/zinc/15/52/61/186155261.db2.gz YXLGETOLPZRXLS-AXFHLTTASA-N -1 1 307.350 2.500 20 5 DFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000076308588 191617396 /nfs/dbraw/zinc/61/73/96/191617396.db2.gz GPDKLBDIQAMGJL-JTQLQIEISA-N -1 1 316.766 2.635 20 5 DFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CCCC1 ZINC000146731484 398910675 /nfs/dbraw/zinc/91/06/75/398910675.db2.gz INMKMYCYZXBRNT-UHFFFAOYSA-N -1 1 318.782 2.717 20 5 DFBDMM COCc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000171329051 399046120 /nfs/dbraw/zinc/04/61/20/399046120.db2.gz VHQDWHLJYZNEGF-UHFFFAOYSA-N -1 1 322.342 2.542 20 5 DFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCC2CC2)c2cnccc21 ZINC000600667753 399111185 /nfs/dbraw/zinc/11/11/85/399111185.db2.gz KUASJGHHANNPMO-UHFFFAOYSA-N -1 1 321.358 2.685 20 5 DFBDMM CCc1nc(SCc2onc(C)c2[N+](=O)[O-])[n-]c(=O)c1C ZINC000596021201 399150314 /nfs/dbraw/zinc/15/03/14/399150314.db2.gz PNQGVHGPGFMXLW-UHFFFAOYSA-N -1 1 310.335 2.550 20 5 DFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C(F)F)c1C ZINC000619503077 399354579 /nfs/dbraw/zinc/35/45/79/399354579.db2.gz JHMVZNXLVIMTPQ-UHFFFAOYSA-N -1 1 322.333 2.534 20 5 DFBDMM O=C(Nc1ccc(Cl)cc1O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354495647 147059848 /nfs/dbraw/zinc/05/98/48/147059848.db2.gz HBEIXQQEGJUWEO-UHFFFAOYSA-N -1 1 308.677 2.912 20 5 DFBDMM COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000349860314 285958950 /nfs/dbraw/zinc/95/89/50/285958950.db2.gz OERIWSHHJMVPDU-UHFFFAOYSA-N -1 1 316.273 2.657 20 5 DFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)s1 ZINC000362909405 149394237 /nfs/dbraw/zinc/39/42/37/149394237.db2.gz TUQQTLZUOQFCHU-RTBKNWGFSA-N -1 1 316.404 2.513 20 5 DFBDMM Cc1cccc(C(C)(C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000185691359 158069423 /nfs/dbraw/zinc/06/94/23/158069423.db2.gz SPQXVTNBNUAZNO-UHFFFAOYSA-N -1 1 315.329 2.669 20 5 DFBDMM Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc2[nH]cnc21 ZINC000356946023 158329389 /nfs/dbraw/zinc/32/93/89/158329389.db2.gz GPLIJWJQFKDUFZ-UHFFFAOYSA-N -1 1 310.273 2.825 20 5 DFBDMM CC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000358534057 158387027 /nfs/dbraw/zinc/38/70/27/158387027.db2.gz KGOPAGRCJQLUQO-CYBMUJFWSA-N -1 1 315.329 2.885 20 5 DFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCCC2)s1 ZINC000066327595 425903628 /nfs/dbraw/zinc/90/36/28/425903628.db2.gz QHORAISGDBWBEQ-UHFFFAOYSA-N -1 1 304.393 2.515 20 5 DFBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014256002 425771162 /nfs/dbraw/zinc/77/11/62/425771162.db2.gz QSTKNRINEMAAEN-UHFFFAOYSA-N -1 1 306.343 2.958 20 5 DFBDMM Cc1cc(C)c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000193403322 268067005 /nfs/dbraw/zinc/06/70/05/268067005.db2.gz XBWHREUHXRXLJD-UHFFFAOYSA-N -1 1 315.329 2.551 20 5 DFBDMM Cc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000193688597 268076702 /nfs/dbraw/zinc/07/67/02/268076702.db2.gz LXWDRBAPGSUCLZ-VIFPVBQESA-N -1 1 319.292 2.634 20 5 DFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000338625982 268710146 /nfs/dbraw/zinc/71/01/46/268710146.db2.gz XNYPUKCTBCIGNN-UHFFFAOYSA-N -1 1 317.301 2.655 20 5 DFBDMM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(F)c(O)c(F)c1 ZINC000175322816 426297017 /nfs/dbraw/zinc/29/70/17/426297017.db2.gz LAEHFCPOWQYKOF-OWOJBTEDSA-N -1 1 322.223 2.842 20 5 DFBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000119586419 426300312 /nfs/dbraw/zinc/30/03/12/426300312.db2.gz FZBRUQZDBZBLCQ-UHFFFAOYSA-N -1 1 310.306 2.843 20 5 DFBDMM Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000277348441 427173467 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O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccsc1 ZINC000277673799 427281819 /nfs/dbraw/zinc/28/18/19/427281819.db2.gz DUVDKBHBRZASFT-LLVKDONJSA-N -1 1 319.342 2.734 20 5 DFBDMM Cc1nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2[nH]1 ZINC000338552927 427376818 /nfs/dbraw/zinc/37/68/18/427376818.db2.gz TYHPEPDDOIUXFM-UHFFFAOYSA-N -1 1 312.285 2.737 20 5 DFBDMM CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000299125669 427753696 /nfs/dbraw/zinc/75/36/96/427753696.db2.gz LSJSHAMAEUYSGE-UHFFFAOYSA-N -1 1 309.351 2.759 20 5 DFBDMM Cc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000303745733 427905252 /nfs/dbraw/zinc/90/52/52/427905252.db2.gz ZOUWHVQOQSMXOE-NSHDSACASA-N -1 1 315.329 2.803 20 5 DFBDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000353081208 428379528 /nfs/dbraw/zinc/37/95/28/428379528.db2.gz OENROOUNCQNBNO-BBBLOLIVSA-N -1 1 318.420 2.759 20 5 DFBDMM CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000347574199 428607700 /nfs/dbraw/zinc/60/77/00/428607700.db2.gz AAETXXOUFASFPC-UHFFFAOYSA-N -1 1 322.708 2.787 20 5 DFBDMM CCO[C@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000353777537 428709203 /nfs/dbraw/zinc/70/92/03/428709203.db2.gz BKPISIUUXZHVBF-CABCVRRESA-N -1 1 308.378 2.936 20 5 DFBDMM CC(C)(C)C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445184630 429283024 /nfs/dbraw/zinc/28/30/24/429283024.db2.gz PCVOXFIAFRLISA-NSHDSACASA-N -1 1 307.350 2.736 20 5 DFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](CC2CCCC2)C1 ZINC000364620415 429236197 /nfs/dbraw/zinc/23/61/97/429236197.db2.gz DNMRYMBJAIPSLP-LBPRGKRZSA-N -1 1 319.361 2.738 20 5 DFBDMM COc1ccccc1[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000426776806 429415440 /nfs/dbraw/zinc/41/54/40/429415440.db2.gz HRNZLEADCQAHAU-HNNXBMFYSA-N -1 1 316.313 2.519 20 5 DFBDMM CCCOc1cc(O)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000430483368 429685531 /nfs/dbraw/zinc/68/55/31/429685531.db2.gz XVBYOIXQNAESAL-UHFFFAOYSA-N -1 1 305.290 2.670 20 5 DFBDMM Cc1conc1[N-]C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000574796593 430052508 /nfs/dbraw/zinc/05/25/08/430052508.db2.gz HSMISTOJSJFYIK-UHFFFAOYSA-N -1 1 315.207 3.162 20 5 DFBDMM C[C@@H](CC(=O)[O-])N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565490210 430215113 /nfs/dbraw/zinc/21/51/13/430215113.db2.gz HEEUHIZDXZEVJC-JTQLQIEISA-N -1 1 319.317 2.545 20 5 DFBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000569484822 430458674 /nfs/dbraw/zinc/45/86/74/430458674.db2.gz NJKZLLFNQUWCFT-BXUZGUMPSA-N -1 1 322.361 2.536 20 5 DFBDMM CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1[O-] ZINC000552288284 430593244 /nfs/dbraw/zinc/59/32/44/430593244.db2.gz MFYPFFOWLAVKTE-UHFFFAOYSA-N -1 1 318.260 2.894 20 5 DFBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000436592604 297016152 /nfs/dbraw/zinc/01/61/52/297016152.db2.gz WUFCUBCUTXQECI-UHFFFAOYSA-N -1 1 320.732 2.926 20 5 DFBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)ccc1[O-] ZINC000436825114 297037434 /nfs/dbraw/zinc/03/74/34/297037434.db2.gz FKRBSINYZDVNLP-UHFFFAOYSA-N -1 1 318.304 2.754 20 5 DFBDMM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c1[N+](=O)[O-] ZINC000451071194 297742570 /nfs/dbraw/zinc/74/25/70/297742570.db2.gz QYKRGIMMGAGKTO-SECBINFHSA-N -1 1 322.333 2.534 20 5 DFBDMM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000524872248 300588655 /nfs/dbraw/zinc/58/86/55/300588655.db2.gz HYEIEGSDTVOUAB-VHSXEESVSA-N -1 1 318.420 2.903 20 5 DFBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000567834749 302391337 /nfs/dbraw/zinc/39/13/37/302391337.db2.gz UVCFBEYIXLXPSL-RTXFEEFZSA-N -1 1 319.361 2.736 20 5 DFBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000567834748 302391493 /nfs/dbraw/zinc/39/14/93/302391493.db2.gz UVCFBEYIXLXPSL-RAIGVLPGSA-N -1 1 319.361 2.736 20 5 DFBDMM O=C([N-]c1nc2ccccn2n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000182449477 316102750 /nfs/dbraw/zinc/10/27/50/316102750.db2.gz KPCOLMVCTRRFMF-UHFFFAOYSA-N -1 1 317.692 2.543 20 5 DFBDMM COC(=O)c1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000446102778 317003702 /nfs/dbraw/zinc/00/37/02/317003702.db2.gz JVGCFTMECZNQIN-UHFFFAOYSA-N -1 1 324.289 2.834 20 5 DFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000192714098 323246704 /nfs/dbraw/zinc/24/67/04/323246704.db2.gz QFWVSSWGWRYDNR-UHFFFAOYSA-N -1 1 318.354 2.884 20 5 DFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000192911086 323249647 /nfs/dbraw/zinc/24/96/47/323249647.db2.gz PAJNFIUAYLJSAJ-UHFFFAOYSA-N -1 1 310.306 2.843 20 5 DFBDMM O=[N+]([O-])c1ccc(NCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826498937 607449097 /nfs/dbraw/zinc/44/90/97/607449097.db2.gz PEWUBMWBVWHKBG-UHFFFAOYSA-N -1 1 314.280 2.526 20 5 DFBDMM O=[N+]([O-])c1ccc(NCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826498937 607449099 /nfs/dbraw/zinc/44/90/99/607449099.db2.gz PEWUBMWBVWHKBG-UHFFFAOYSA-N -1 1 314.280 2.526 20 5 DFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000826041782 603565427 /nfs/dbraw/zinc/56/54/27/603565427.db2.gz JUOMZMJQNORASV-NTZNESFSSA-N -1 1 307.350 2.634 20 5 DFBDMM Cc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822356223 606644260 /nfs/dbraw/zinc/64/42/60/606644260.db2.gz NSTQDSCZYZBVJZ-UHFFFAOYSA-N -1 1 324.344 2.720 20 5 DFBDMM CCCC[C@@H](CCC)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821044013 606714918 /nfs/dbraw/zinc/71/49/18/606714918.db2.gz XBBCQJXSNYMYBD-SNVBAGLBSA-N -1 1 319.369 2.941 20 5 DFBDMM CCCC[C@@H](CCC)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821044013 606714920 /nfs/dbraw/zinc/71/49/20/606714920.db2.gz XBBCQJXSNYMYBD-SNVBAGLBSA-N -1 1 319.369 2.941 20 5 DFBDMM Cc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC000822266583 607161459 /nfs/dbraw/zinc/16/14/59/607161459.db2.gz DNLLFOHGQXEDDJ-UHFFFAOYSA-N -1 1 312.289 2.579 20 5 DFBDMM Cc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC000822266583 607161461 /nfs/dbraw/zinc/16/14/61/607161461.db2.gz DNLLFOHGQXEDDJ-UHFFFAOYSA-N -1 1 312.289 2.579 20 5 DFBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133055 398510889 /nfs/dbraw/zinc/51/08/89/398510889.db2.gz QNNOCIANOUGBGC-MFKMUULPSA-N -1 1 310.375 2.548 20 5 DFBDMM O=[N+]([O-])c1ccc(NCCn2c(=S)[n-]nc2C2CC2)cc1 ZINC000091485333 398533926 /nfs/dbraw/zinc/53/39/26/398533926.db2.gz YAOVOMLFAPRZJU-UHFFFAOYSA-N -1 1 305.363 2.838 20 5 DFBDMM CC(C)n1cnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000593234999 398577757 /nfs/dbraw/zinc/57/77/57/398577757.db2.gz XFRAXKXAUHPXGK-UHFFFAOYSA-N -1 1 309.713 2.673 20 5 DFBDMM CC(C)(C)C1=CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445141142 297259997 /nfs/dbraw/zinc/25/99/97/297259997.db2.gz UVBDSYIZMZCECV-UHFFFAOYSA-N -1 1 305.334 2.514 20 5 DFBDMM CSC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742764 398679877 /nfs/dbraw/zinc/67/98/77/398679877.db2.gz XWSRMCIHVCCVSF-LBPRGKRZSA-N -1 1 310.375 2.620 20 5 DFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000594861842 398863728 /nfs/dbraw/zinc/86/37/28/398863728.db2.gz MEOBFBNDLDDKBZ-NSHDSACASA-N -1 1 304.393 2.513 20 5 DFBDMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000599431859 398980586 /nfs/dbraw/zinc/98/05/86/398980586.db2.gz REIHMCNQXBJSIO-UHFFFAOYSA-N -1 1 322.333 2.535 20 5 DFBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000339100210 284137048 /nfs/dbraw/zinc/13/70/48/284137048.db2.gz WDTMXVBNOGRTHN-UHFFFAOYSA-N -1 1 308.378 2.818 20 5 DFBDMM Cc1nccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000340697827 284207288 /nfs/dbraw/zinc/20/72/88/284207288.db2.gz SPMKHEWKFPKPEX-UHFFFAOYSA-N -1 1 323.312 2.941 20 5 DFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000016101168 182034121 /nfs/dbraw/zinc/03/41/21/182034121.db2.gz SBXWKUHLMNRHBX-UHFFFAOYSA-N -1 1 322.342 2.713 20 5 DFBDMM Cc1c(CNC(=O)c2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000616492503 399475311 /nfs/dbraw/zinc/47/53/11/399475311.db2.gz OIEOWSNLVTXEIY-UHFFFAOYSA-N -1 1 304.277 2.678 20 5 DFBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ncoc1[C@@H]1CCCO1 ZINC000348019208 285301273 /nfs/dbraw/zinc/30/12/73/285301273.db2.gz SIIWRZFFLDOGOS-NSHDSACASA-N -1 1 321.264 2.826 20 5 DFBDMM O=C([N-]c1cnoc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604542557 399853813 /nfs/dbraw/zinc/85/38/13/399853813.db2.gz JWGZSSIADVENQY-UHFFFAOYSA-N -1 1 316.298 2.959 20 5 DFBDMM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(-c2ccco2)n[nH]1 ZINC000166117355 145232796 /nfs/dbraw/zinc/23/27/96/145232796.db2.gz QBHNASKHVVYWSL-UHFFFAOYSA-N -1 1 314.257 2.536 20 5 DFBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000354531802 147069824 /nfs/dbraw/zinc/06/98/24/147069824.db2.gz JJUBOFVYMFJWLU-KXUCPTDWSA-N -1 1 318.420 2.759 20 5 DFBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000361983445 149270649 /nfs/dbraw/zinc/27/06/49/149270649.db2.gz NKQOVELQNCAKKO-CQSZACIVSA-N -1 1 315.329 2.823 20 5 DFBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OC(C)C ZINC000362006975 149274308 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/nfs/dbraw/zinc/13/18/78/148131878.db2.gz XTAPKZKHKIJFSM-YPMHNXCESA-N -1 1 319.361 2.642 20 5 DFBDMM COc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000353335841 286616409 /nfs/dbraw/zinc/61/64/09/286616409.db2.gz JQZUJXCVTMFHTN-UHFFFAOYSA-N -1 1 301.302 2.525 20 5 DFBDMM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000357087722 158363476 /nfs/dbraw/zinc/36/34/76/158363476.db2.gz WNFQTMVABQLNDN-UHFFFAOYSA-N -1 1 304.343 2.912 20 5 DFBDMM CC(C)Oc1cc(O)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000432474177 296880035 /nfs/dbraw/zinc/88/00/35/296880035.db2.gz VZXUGKLHYWIRFG-UHFFFAOYSA-N -1 1 305.290 2.668 20 5 DFBDMM CN1CCCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000264561515 268174468 /nfs/dbraw/zinc/17/44/68/268174468.db2.gz PARNWESGLDBXLD-UHFFFAOYSA-N -1 1 300.318 2.558 20 5 DFBDMM COc1ccc2c(c1)CCCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000270798747 268219071 /nfs/dbraw/zinc/21/90/71/268219071.db2.gz FBMKDQAYJQVDQI-UHFFFAOYSA-N -1 1 315.329 2.915 20 5 DFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114558000 426138808 /nfs/dbraw/zinc/13/88/08/426138808.db2.gz DFTFMEGPAAFYHC-MRXNPFEDSA-N -1 1 317.345 2.658 20 5 DFBDMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000175457726 426305578 /nfs/dbraw/zinc/30/55/78/426305578.db2.gz UCCAVDNQYWGBRN-CQSZACIVSA-N -1 1 301.302 2.577 20 5 DFBDMM O=C(c1cc(F)ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093920589 426359608 /nfs/dbraw/zinc/35/96/08/426359608.db2.gz JNBBYZACIGIPBL-UHFFFAOYSA-N -1 1 302.261 2.642 20 5 DFBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000187148126 426632383 /nfs/dbraw/zinc/63/23/83/426632383.db2.gz RBJQKYPZYRGZPL-HZMBPMFUSA-N -1 1 313.313 2.529 20 5 DFBDMM COC(=O)c1c[n-]c(SCc2c(F)cccc2[N+](=O)[O-])n1 ZINC000187583144 426673432 /nfs/dbraw/zinc/67/34/32/426673432.db2.gz YGRUTFJDQHOQJV-UHFFFAOYSA-N -1 1 311.294 2.536 20 5 DFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1=CCCCC1 ZINC000296037248 427055701 /nfs/dbraw/zinc/05/57/01/427055701.db2.gz BDDXWRVQOVSHAT-UHFFFAOYSA-N -1 1 314.338 2.513 20 5 DFBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1F ZINC000184214376 271196688 /nfs/dbraw/zinc/19/66/88/271196688.db2.gz UDNVIDZDBSHVBK-UHFFFAOYSA-N -1 1 324.333 2.984 20 5 DFBDMM Cc1cc(C)cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000303340196 271364037 /nfs/dbraw/zinc/36/40/37/271364037.db2.gz VLRRAYAHSHTLHA-NSHDSACASA-N -1 1 315.329 2.803 20 5 DFBDMM CC(C)(C)Oc1ccncc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000269796878 427278080 /nfs/dbraw/zinc/27/80/80/427278080.db2.gz MQTRLTQBZDCTFG-UHFFFAOYSA-N -1 1 304.306 2.748 20 5 DFBDMM O=C(Nc1nc(C2CCC2)n[nH]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184555445 427486406 /nfs/dbraw/zinc/48/64/06/427486406.db2.gz MCGFHBRQOARTDI-UHFFFAOYSA-N -1 1 321.724 2.886 20 5 DFBDMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263443496 427491149 /nfs/dbraw/zinc/49/11/49/427491149.db2.gz XESOWMOBPLFNIC-SNVBAGLBSA-N -1 1 304.302 2.760 20 5 DFBDMM CCC[C@]1(C)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185766878 427703671 /nfs/dbraw/zinc/70/36/71/427703671.db2.gz VMTUCWKMRJHPBD-OAHLLOKOSA-N -1 1 307.350 2.738 20 5 DFBDMM COCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299139487 427754861 /nfs/dbraw/zinc/75/48/61/427754861.db2.gz SFNRDCVYIZQWHT-UHFFFAOYSA-N -1 1 319.317 2.591 20 5 DFBDMM Cc1ccnn1-c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000345761457 427894103 /nfs/dbraw/zinc/89/41/03/427894103.db2.gz KQYKQZKBRVQBET-UHFFFAOYSA-N -1 1 311.301 2.669 20 5 DFBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1O ZINC000350793712 427972866 /nfs/dbraw/zinc/97/28/66/427972866.db2.gz NTDUXCIHXWDQND-UHFFFAOYSA-N -1 1 316.273 2.744 20 5 DFBDMM CC(C)(C)n1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000350934966 427993743 /nfs/dbraw/zinc/99/37/43/427993743.db2.gz WVPDXRBVFMXTEX-UHFFFAOYSA-N -1 1 302.294 2.591 20 5 DFBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c(OC)c1 ZINC000337501976 427934535 /nfs/dbraw/zinc/93/45/35/427934535.db2.gz DMLBWNNTQNJEIV-UHFFFAOYSA-N -1 1 305.290 2.501 20 5 DFBDMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412826440 429109069 /nfs/dbraw/zinc/10/90/69/429109069.db2.gz QSKIJLVPMMNVDE-MNOVXSKESA-N -1 1 307.350 2.640 20 5 DFBDMM Cc1cc(OCC(=O)Nc2ccc(F)cc2[O-])ccc1[N+](=O)[O-] ZINC000435798803 429164451 /nfs/dbraw/zinc/16/44/51/429164451.db2.gz NWGYJGPORJUJBU-UHFFFAOYSA-N -1 1 320.276 2.765 20 5 DFBDMM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)on1 ZINC000456170089 429251831 /nfs/dbraw/zinc/25/18/31/429251831.db2.gz BDUBIFPYKQCZGW-UHFFFAOYSA-N -1 1 320.305 2.664 20 5 DFBDMM COc1c(C(=O)Nc2cccc([O-])c2F)cccc1[N+](=O)[O-] ZINC000526010343 429694872 /nfs/dbraw/zinc/69/48/72/429694872.db2.gz HEMKQXJYPJTCJP-UHFFFAOYSA-N -1 1 306.249 2.700 20 5 DFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000583637089 430415109 /nfs/dbraw/zinc/41/51/09/430415109.db2.gz YNOJVBQRUQBDGW-SMDDNHRTSA-N -1 1 322.361 2.677 20 5 DFBDMM Cc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC000436732499 297029576 /nfs/dbraw/zinc/02/95/76/297029576.db2.gz UMQHZAYCAGEZQK-UHFFFAOYSA-N -1 1 312.285 2.737 20 5 DFBDMM CCCCC[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444956332 297256435 /nfs/dbraw/zinc/25/64/35/297256435.db2.gz BDVFUNYWVJXSBF-GFCCVEGCSA-N -1 1 307.350 2.880 20 5 DFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)s1 ZINC000567829955 302391140 /nfs/dbraw/zinc/39/11/40/302391140.db2.gz PALPZRHDEGICFK-UHFFFAOYSA-N -1 1 316.404 2.657 20 5 DFBDMM CC(C)[C@H]1N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCCC2 ZINC000574134055 302741856 /nfs/dbraw/zinc/74/18/56/302741856.db2.gz AGGQEOWPWGKYFH-CYBMUJFWSA-N -1 1 319.361 2.736 20 5 DFBDMM Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826288698 607448593 /nfs/dbraw/zinc/44/85/93/607448593.db2.gz SLNZGFCWENSDOM-UHFFFAOYSA-N -1 1 310.317 2.695 20 5 DFBDMM Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826288698 607448595 /nfs/dbraw/zinc/44/85/95/607448595.db2.gz SLNZGFCWENSDOM-UHFFFAOYSA-N -1 1 310.317 2.695 20 5 DFBDMM O=[N+]([O-])c1ccc(NCc2ccccc2F)cc1-c1nnn[n-]1 ZINC000826498700 607449458 /nfs/dbraw/zinc/44/94/58/607449458.db2.gz FYBPFMKFCLNXEX-UHFFFAOYSA-N -1 1 314.280 2.526 20 5 DFBDMM O=[N+]([O-])c1ccc(NCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000826498700 607449461 /nfs/dbraw/zinc/44/94/61/607449461.db2.gz FYBPFMKFCLNXEX-UHFFFAOYSA-N -1 1 314.280 2.526 20 5 DFBDMM CN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000833691817 604541020 /nfs/dbraw/zinc/54/10/20/604541020.db2.gz GNCOTDIJDAOJNF-UHFFFAOYSA-N -1 1 306.343 2.840 20 5 DFBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NC(=O)[O-])CC1 ZINC000833907209 605551015 /nfs/dbraw/zinc/55/10/15/605551015.db2.gz CLMLOSYWKVAVPG-LLVKDONJSA-N -1 1 307.350 2.696 20 5 DFBDMM Cc1cc(N(C)CCCC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC000317285894 231160568 /nfs/dbraw/zinc/16/05/68/231160568.db2.gz QEZCGXRPIIKAGJ-UHFFFAOYSA-N -1 1 303.318 2.752 20 5 DFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(Cl)c1 ZINC000015611404 398396860 /nfs/dbraw/zinc/39/68/60/398396860.db2.gz PYQQJNLGLDNHKK-MRVPVSSYSA-N -1 1 321.720 2.840 20 5 DFBDMM O=[N+]([O-])c1ccc(NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000091482225 398532726 /nfs/dbraw/zinc/53/27/26/398532726.db2.gz ODWTYGGTJYDDPY-UHFFFAOYSA-N -1 1 305.363 2.838 20 5 DFBDMM CCc1[nH]nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1[N+](=O)[O-] ZINC000175835367 283413704 /nfs/dbraw/zinc/41/37/04/283413704.db2.gz YEKDGQIJFOXHKF-UHFFFAOYSA-N -1 1 324.724 2.800 20 5 DFBDMM Cc1cc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)s1 ZINC000186902017 200029068 /nfs/dbraw/zinc/02/90/68/200029068.db2.gz HZGXGIWISPMQTO-MRVPVSSYSA-N -1 1 321.358 2.865 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000186863808 200023269 /nfs/dbraw/zinc/02/32/69/200023269.db2.gz HCBMBCQXHRPYEW-UHFFFAOYSA-N -1 1 313.313 2.500 20 5 DFBDMM CC1(C)CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000595387594 398930476 /nfs/dbraw/zinc/93/04/76/398930476.db2.gz FABSTLRKMJNYFA-UHFFFAOYSA-N -1 1 318.782 2.715 20 5 DFBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000193687980 201103317 /nfs/dbraw/zinc/10/33/17/201103317.db2.gz ARWUVFZLBKLFDN-UHFFFAOYSA-N -1 1 307.350 2.736 20 5 DFBDMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000613447064 398988811 /nfs/dbraw/zinc/98/88/11/398988811.db2.gz KCJAFFQLPOMSEE-SECBINFHSA-N -1 1 304.277 2.931 20 5 DFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000618371776 399095415 /nfs/dbraw/zinc/09/54/15/399095415.db2.gz BFPAPZWCEYKAOL-LBPRGKRZSA-N -1 1 307.350 2.784 20 5 DFBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1[O-] ZINC000340331217 284176411 /nfs/dbraw/zinc/17/64/11/284176411.db2.gz QBTZFRYYRSCOKN-UHFFFAOYSA-N -1 1 319.292 2.880 20 5 DFBDMM O=C(N[C@H]1CCCc2sccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000119106751 284190656 /nfs/dbraw/zinc/19/06/56/284190656.db2.gz XDVFKJQTOAVRPG-NSHDSACASA-N -1 1 319.342 2.564 20 5 DFBDMM C/C=C\C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000600807075 399152382 /nfs/dbraw/zinc/15/23/82/399152382.db2.gz JSEQZGRCAFYQDB-QUCGXOGASA-N -1 1 305.334 2.514 20 5 DFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C(F)F)cc1C ZINC000619503117 399354475 /nfs/dbraw/zinc/35/44/75/399354475.db2.gz SQGBLIITDDSGNL-UHFFFAOYSA-N -1 1 322.333 2.534 20 5 DFBDMM Cc1cc(OCC(=O)Nc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC000619543060 399359939 /nfs/dbraw/zinc/35/99/39/399359939.db2.gz VCMYIKKFEIEDLO-UHFFFAOYSA-N -1 1 320.276 2.765 20 5 DFBDMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064241207 184293212 /nfs/dbraw/zinc/29/32/12/184293212.db2.gz NVXINQPAUIUNPR-DTWKUNHWSA-N -1 1 304.393 2.513 20 5 DFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000172181652 145295184 /nfs/dbraw/zinc/29/51/84/145295184.db2.gz OBOCICZDDWWQKJ-UHFFFAOYSA-N -1 1 310.306 2.843 20 5 DFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000243532693 146063105 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/nfs/dbraw/zinc/90/75/98/398907598.db2.gz VPILRFYRJICVFL-UHFFFAOYSA-N -1 1 313.162 2.588 20 5 DFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279657 398915384 /nfs/dbraw/zinc/91/53/84/398915384.db2.gz UEMLCCHKAJWBHX-VDISTLRHSA-N -1 1 322.361 2.677 20 5 DFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000157662872 398955573 /nfs/dbraw/zinc/95/55/73/398955573.db2.gz AGUSOPMUGYJWJZ-MRVPVSSYSA-N -1 1 318.782 2.715 20 5 DFBDMM CC(C)CC[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193732070 201113119 /nfs/dbraw/zinc/11/31/19/201113119.db2.gz GHBMFMFCJPZTOC-GFCCVEGCSA-N -1 1 307.350 2.736 20 5 DFBDMM O=[N+]([O-])c1ccc(NCCn2c(C3CC3)n[n-]c2=S)c(F)c1 ZINC000080776455 399179421 /nfs/dbraw/zinc/17/94/21/399179421.db2.gz WRABRACUQQASSJ-UHFFFAOYSA-N -1 1 323.353 2.977 20 5 DFBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c(F)ccc([O-])c1F ZINC000343156368 284482449 /nfs/dbraw/zinc/48/24/49/284482449.db2.gz XOBIKGQTVDSNBD-UHFFFAOYSA-N -1 1 322.267 2.551 20 5 DFBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000619668033 399374107 /nfs/dbraw/zinc/37/41/07/399374107.db2.gz IKFDFIMOQZKBAV-UHFFFAOYSA-N -1 1 322.342 2.718 20 5 DFBDMM Cc1c(CC(=O)Nc2c([O-])cccc2F)cccc1[N+](=O)[O-] ZINC000610987174 399425304 /nfs/dbraw/zinc/42/53/04/399425304.db2.gz SWGYPGGWVWPBHY-UHFFFAOYSA-N -1 1 304.277 2.929 20 5 DFBDMM O=C(Nc1nc(C2CCOCC2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000286526722 219037725 /nfs/dbraw/zinc/03/77/25/219037725.db2.gz YGUOPBZCHSKYHO-UHFFFAOYSA-N -1 1 322.346 2.526 20 5 DFBDMM COCc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000612902150 399747397 /nfs/dbraw/zinc/74/73/97/399747397.db2.gz AMWPXUIRJIJYTE-UHFFFAOYSA-N -1 1 300.274 2.786 20 5 DFBDMM O=C(NC[C@@H]1C[C@@H]1C1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357810833 148132553 /nfs/dbraw/zinc/13/25/53/148132553.db2.gz XTAPKZKHKIJFSM-WCQYABFASA-N -1 1 319.361 2.642 20 5 DFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)s1 ZINC000362909406 149394783 /nfs/dbraw/zinc/39/47/83/149394783.db2.gz TUQQTLZUOQFCHU-UDNWOFFPSA-N -1 1 316.404 2.513 20 5 DFBDMM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000426793346 296640462 /nfs/dbraw/zinc/64/04/62/296640462.db2.gz QAXNHKNFIBKBGG-CQSZACIVSA-N -1 1 304.277 2.649 20 5 DFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000352472981 286382539 /nfs/dbraw/zinc/38/25/39/286382539.db2.gz MVSCWNKEXVQBNY-MYJAWHEDSA-N -1 1 318.420 2.759 20 5 DFBDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000352992237 286522671 /nfs/dbraw/zinc/52/26/71/286522671.db2.gz RGLDNKKSEVTGHL-UWVGGRQHSA-N -1 1 318.420 2.761 20 5 DFBDMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000353081212 286546729 /nfs/dbraw/zinc/54/67/29/286546729.db2.gz OENROOUNCQNBNO-OPRDCNLKSA-N -1 1 318.420 2.759 20 5 DFBDMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355184352 158292283 /nfs/dbraw/zinc/29/22/83/158292283.db2.gz GRDDUSJXQCQHAW-UHFFFAOYSA-N -1 1 312.285 2.737 20 5 DFBDMM COc1ccc2nc(-c3ccc([N+](=O)[O-])s3)[n-]c(=O)c2c1 ZINC000165076583 426121174 /nfs/dbraw/zinc/12/11/74/426121174.db2.gz GACMFCWKFJVMEK-UHFFFAOYSA-N -1 1 303.299 2.568 20 5 DFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CC1CCCCC1)C1CC1 ZINC000188235978 426734729 /nfs/dbraw/zinc/73/47/29/426734729.db2.gz MQHYMNTXILPMHF-UHFFFAOYSA-N -1 1 319.361 2.880 20 5 DFBDMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000293298528 427279682 /nfs/dbraw/zinc/27/96/82/427279682.db2.gz DJXKUHRKGMRHBW-UHFFFAOYSA-N -1 1 304.306 2.573 20 5 DFBDMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000185057531 427589632 /nfs/dbraw/zinc/58/96/32/427589632.db2.gz PFHUDUWPKZFKAE-VIFPVBQESA-N -1 1 304.277 2.931 20 5 DFBDMM Cc1ccc([O-])c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000345927698 427955578 /nfs/dbraw/zinc/95/55/78/427955578.db2.gz MTYVZQKOKZHIFQ-UHFFFAOYSA-N -1 1 312.285 2.737 20 5 DFBDMM Cc1nc2c(cccc2-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)[nH]1 ZINC000340683035 427927103 /nfs/dbraw/zinc/92/71/03/427927103.db2.gz OZLSXUSFXOFHSU-UHFFFAOYSA-N -1 1 310.273 2.825 20 5 DFBDMM COCc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356096759 428019745 /nfs/dbraw/zinc/01/97/45/428019745.db2.gz MDXDHJHQJFIBNP-UHFFFAOYSA-N -1 1 300.274 2.786 20 5 DFBDMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360875046 428473336 /nfs/dbraw/zinc/47/33/36/428473336.db2.gz COCDHKAHJQQHBH-IUCAKERBSA-N -1 1 306.409 2.759 20 5 DFBDMM CCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000343870645 428585959 /nfs/dbraw/zinc/58/59/59/428585959.db2.gz ISCPCIMOPRWHJM-UHFFFAOYSA-N -1 1 318.420 2.905 20 5 DFBDMM CC(C)C[C@@]1(C)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452513325 429123477 /nfs/dbraw/zinc/12/34/77/429123477.db2.gz RANQCXUNDWXUQR-OAHLLOKOSA-N -1 1 307.350 2.736 20 5 DFBDMM COc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c([O-])c1 ZINC000444413821 429274827 /nfs/dbraw/zinc/27/48/27/429274827.db2.gz OOSIXJJBODGTGC-UHFFFAOYSA-N -1 1 318.285 2.570 20 5 DFBDMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000426640015 429406966 /nfs/dbraw/zinc/40/69/66/429406966.db2.gz PXMHVQATRPGESE-UHFFFAOYSA-N -1 1 303.322 2.946 20 5 DFBDMM O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000428045075 429486718 /nfs/dbraw/zinc/48/67/18/429486718.db2.gz OQMYVQDCYGMNEQ-UHFFFAOYSA-N -1 1 316.248 2.568 20 5 DFBDMM CC(C)(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000280350797 278543172 /nfs/dbraw/zinc/54/31/72/278543172.db2.gz CARYHXZEZUQCOK-JTQLQIEISA-N -1 1 307.350 2.594 20 5 DFBDMM CC(C)C1CCC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000444965445 297256678 /nfs/dbraw/zinc/25/66/78/297256678.db2.gz KMVLBUFCTBRTQW-UHFFFAOYSA-N -1 1 321.377 2.888 20 5 DFBDMM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000253189393 298194905 /nfs/dbraw/zinc/19/49/05/298194905.db2.gz PDLLXYKLRKSHNH-OUAUKWLOSA-N -1 1 307.350 2.500 20 5 DFBDMM COc1ccnc2c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cccc12 ZINC000536614795 301282604 /nfs/dbraw/zinc/28/26/04/301282604.db2.gz UYISVMZVXQVWTQ-UHFFFAOYSA-N -1 1 312.285 2.732 20 5 DFBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000567028950 302330367 /nfs/dbraw/zinc/33/03/67/302330367.db2.gz WMMQSPCKEXWZHP-LBPRGKRZSA-N -1 1 322.361 2.680 20 5 DFBDMM CC[C@@H](NC(=O)c1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000153952810 522803609 /nfs/dbraw/zinc/80/36/09/522803609.db2.gz CHMCYVLYQJBRRM-GFCCVEGCSA-N -1 1 301.302 2.577 20 5 DFBDMM CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(F)cc1 ZINC000357548936 536570400 /nfs/dbraw/zinc/57/04/00/536570400.db2.gz OIOSWOHGEZIRIQ-GFCCVEGCSA-N -1 1 318.264 2.848 20 5 DFBDMM O=[N+]([O-])c1cc(F)cc(Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000823635188 607332223 /nfs/dbraw/zinc/33/22/23/607332223.db2.gz RXCXQTHWYRJKHR-UHFFFAOYSA-N -1 1 319.227 2.845 20 5 DFBDMM O=[N+]([O-])c1cc(F)cc(Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000823635188 607332224 /nfs/dbraw/zinc/33/22/24/607332224.db2.gz RXCXQTHWYRJKHR-UHFFFAOYSA-N -1 1 319.227 2.845 20 5 DFBDMM CCc1cc(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000737254114 600499157 /nfs/dbraw/zinc/49/91/57/600499157.db2.gz NUEDSOFRXRYEAN-XQRVVYSFSA-N -1 1 316.317 2.590 20 5 DFBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737718917 602533823 /nfs/dbraw/zinc/53/38/23/602533823.db2.gz AWPAKFZKWNOGJA-LLVKDONJSA-N -1 1 307.350 2.730 20 5 DFBDMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc([N+](=O)[O-])c1 ZINC000825502269 603538173 /nfs/dbraw/zinc/53/81/73/603538173.db2.gz HUHKKIYSJGRXCI-SNVBAGLBSA-N -1 1 316.317 2.931 20 5 DFBDMM CC[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000828983185 605005661 /nfs/dbraw/zinc/00/56/61/605005661.db2.gz PEAUOVCYIGLIHB-HUUCEWRRSA-N -1 1 315.329 2.856 20 5 DFBDMM Cc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822271158 607161497 /nfs/dbraw/zinc/16/14/97/607161497.db2.gz OPSSBRRFJQGOMO-UHFFFAOYSA-N -1 1 314.330 2.630 20 5 DFBDMM Cc1ccc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822271158 607161499 /nfs/dbraw/zinc/16/14/99/607161499.db2.gz OPSSBRRFJQGOMO-UHFFFAOYSA-N -1 1 314.330 2.630 20 5 DFBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1[N+](=O)[O-] ZINC000007052916 398357923 /nfs/dbraw/zinc/35/79/23/398357923.db2.gz SENLIJUVIJORPO-UHFFFAOYSA-N -1 1 322.342 2.713 20 5 DFBDMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC000584850812 398422633 /nfs/dbraw/zinc/42/26/33/398422633.db2.gz RRZJAPGAEWTHLT-CQSZACIVSA-N -1 1 315.329 2.604 20 5 DFBDMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593287665 398589810 /nfs/dbraw/zinc/58/98/10/398589810.db2.gz APWOAWNYBOMBDF-GFCCVEGCSA-N -1 1 308.334 2.520 20 5 DFBDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000593735488 398679141 /nfs/dbraw/zinc/67/91/41/398679141.db2.gz PKBIGWPUSGODCK-UWVGGRQHSA-N -1 1 310.375 2.619 20 5 DFBDMM CC[C@H](CSC)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740440 398679988 /nfs/dbraw/zinc/67/99/88/398679988.db2.gz YKBINNKJARCSKL-GFCCVEGCSA-N -1 1 312.391 2.866 20 5 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/nfs/dbraw/zinc/34/48/75/272344875.db2.gz MCZRHTIKJSYJMP-UHFFFAOYSA-N -1 1 318.314 2.794 20 5 DFBDMM CCOc1ccc(N(CC)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298882882 427722759 /nfs/dbraw/zinc/72/27/59/427722759.db2.gz KTHTXEVLGIYKDU-UHFFFAOYSA-N -1 1 303.318 2.988 20 5 DFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000193327959 427686109 /nfs/dbraw/zinc/68/61/09/427686109.db2.gz NCHLBAGHQQCLLY-ZDUSSCGKSA-N -1 1 315.329 2.885 20 5 DFBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000339122809 427687394 /nfs/dbraw/zinc/68/73/94/427687394.db2.gz HOSSUVKXZGKMEM-UHFFFAOYSA-N -1 1 324.296 2.943 20 5 DFBDMM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC ZINC000340443216 427848889 /nfs/dbraw/zinc/84/88/89/427848889.db2.gz DYHPLCQCPHWBPX-UHFFFAOYSA-N -1 1 305.290 2.583 20 5 DFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)[n-]1 ZINC000355950556 427960575 /nfs/dbraw/zinc/96/05/75/427960575.db2.gz YNYFKVXTYODUHF-UHFFFAOYSA-N -1 1 306.228 2.842 20 5 DFBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1C ZINC000355987059 427972844 /nfs/dbraw/zinc/97/28/44/427972844.db2.gz NPRYIJASXGCQMY-UHFFFAOYSA-N -1 1 300.274 2.957 20 5 DFBDMM COc1c(C(=O)Nc2ccc(F)cc2[O-])cccc1[N+](=O)[O-] ZINC000356564612 428234855 /nfs/dbraw/zinc/23/48/55/428234855.db2.gz KHUHSZDBVGNXQY-UHFFFAOYSA-N -1 1 306.249 2.700 20 5 DFBDMM Cc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]1 ZINC000342161808 428328102 /nfs/dbraw/zinc/32/81/02/428328102.db2.gz WTNJOSJLYWKQED-UHFFFAOYSA-N -1 1 311.301 2.874 20 5 DFBDMM CN(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1F ZINC000357221859 428440898 /nfs/dbraw/zinc/44/08/98/428440898.db2.gz BCBIPRAJHZSYKO-UHFFFAOYSA-N -1 1 317.280 2.845 20 5 DFBDMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360875045 428474939 /nfs/dbraw/zinc/47/49/39/428474939.db2.gz COCDHKAHJQQHBH-DTWKUNHWSA-N -1 1 306.409 2.759 20 5 DFBDMM CCCCN(CC(F)(F)F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362341048 428710141 /nfs/dbraw/zinc/71/01/41/428710141.db2.gz UWVNSIJAEOJSRM-UHFFFAOYSA-N -1 1 321.255 2.500 20 5 DFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000274369873 275012657 /nfs/dbraw/zinc/01/26/57/275012657.db2.gz WBEFEKSCWCKATJ-SECBINFHSA-N -1 1 311.297 2.643 20 5 DFBDMM CN(C)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000581313164 430197120 /nfs/dbraw/zinc/19/71/20/430197120.db2.gz VGJKFKWIECDCKS-CYBMUJFWSA-N -1 1 319.317 2.601 20 5 DFBDMM O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436822827 297037177 /nfs/dbraw/zinc/03/71/77/297037177.db2.gz QWCWYHYMOCDHQB-UHFFFAOYSA-N -1 1 316.248 2.568 20 5 DFBDMM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000437605152 297066036 /nfs/dbraw/zinc/06/60/36/297066036.db2.gz OSUPWRIRPICJGA-SNVBAGLBSA-N -1 1 318.333 2.622 20 5 DFBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1=CCCCC1 ZINC000445214260 297260487 /nfs/dbraw/zinc/26/04/87/297260487.db2.gz MKXWPEIRBMWJOU-UHFFFAOYSA-N -1 1 319.361 2.952 20 5 DFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000445219718 297260628 /nfs/dbraw/zinc/26/06/28/297260628.db2.gz SRCYXQVIGVFYDZ-UHFFFAOYSA-N -1 1 307.350 2.594 20 5 DFBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000397049650 323354562 /nfs/dbraw/zinc/35/45/62/323354562.db2.gz QRSDRQOGQRBWKE-KOLCDFICSA-N -1 1 312.753 2.933 20 5 DFBDMM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000819380950 597260930 /nfs/dbraw/zinc/26/09/30/597260930.db2.gz VYIIBNGDIVMTLP-SNVBAGLBSA-N -1 1 312.753 2.935 20 5 DFBDMM Cc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822271130 599352538 /nfs/dbraw/zinc/35/25/38/599352538.db2.gz NMGLWTFQATXGCU-UHFFFAOYSA-N -1 1 314.330 2.630 20 5 DFBDMM COc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737967563 599858527 /nfs/dbraw/zinc/85/85/27/599858527.db2.gz BXYQEUWPLLLXBP-OAHLLOKOSA-N -1 1 316.313 2.519 20 5 DFBDMM O=C([O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000739506155 600425433 /nfs/dbraw/zinc/42/54/33/600425433.db2.gz UUQNFQCAXCWTOW-CQSZACIVSA-N -1 1 304.277 2.649 20 5 DFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(N(C)C(=O)[O-])CC1 ZINC000825637355 604052943 /nfs/dbraw/zinc/05/29/43/604052943.db2.gz CIHFNHHYQBQMQJ-LLVKDONJSA-N -1 1 307.350 2.730 20 5 DFBDMM CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694257 604644696 /nfs/dbraw/zinc/64/46/96/604644696.db2.gz MZVSEIIBSLJKMF-OAHLLOKOSA-N -1 1 316.313 2.558 20 5 DFBDMM