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)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000460427983 823385756 /nfs/dbraw/zinc/38/57/56/823385756.db2.gz RHEBENJJGGVWLH-UHFFFAOYSA-N -1 0 386.376 4.120 20 5 GIBDRM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029793761 820519689 /nfs/dbraw/zinc/51/96/89/820519689.db2.gz NSIYKANJUPJLRN-UHFFFAOYSA-N -1 0 389.820 4.253 20 5 GIBDRM CCOc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)cc1 ZINC000031899598 820872029 /nfs/dbraw/zinc/87/20/29/820872029.db2.gz OKFFBQHGMXMUPY-OAQYLSRUSA-N -1 0 392.411 4.219 20 5 GIBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c1C ZINC000032097684 820897682 /nfs/dbraw/zinc/89/76/82/820897682.db2.gz JVWJOESZJGFFAZ-UHFFFAOYSA-N -1 0 389.433 4.277 20 5 GIBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000460823022 823522641 /nfs/dbraw/zinc/52/26/41/823522641.db2.gz IBWTVUMUMAHXQC-UHFFFAOYSA-N -1 0 394.424 4.165 20 5 GIBDRM CC(C)c1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccc(F)cc1 ZINC000124920573 823637095 /nfs/dbraw/zinc/63/70/95/823637095.db2.gz GXYDZOXBJURICC-UHFFFAOYSA-N -1 0 384.367 4.001 20 5 GIBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000126115162 823791802 /nfs/dbraw/zinc/79/18/02/823791802.db2.gz UGNPAQJLNWALDM-UHFFFAOYSA-N -1 0 379.196 4.150 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414070724 823901322 /nfs/dbraw/zinc/90/13/22/823901322.db2.gz CPLTWEQRVLNUMB-LJQANCHMSA-N -1 0 390.823 4.182 20 5 GIBDRM C[C@@](CNC(=O)c1cc2ccccc2c2cccnc12)(C(=O)[O-])c1ccccc1 ZINC000575495466 823974524 /nfs/dbraw/zinc/97/45/24/823974524.db2.gz MWZAIIZLLDYZGA-DEOSSOPVSA-N -1 0 384.435 4.160 20 5 GIBDRM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000016099413 818393314 /nfs/dbraw/zinc/39/33/14/818393314.db2.gz BSTKCYAXWGDEMX-UHFFFAOYSA-N -1 0 387.392 4.278 20 5 GIBDRM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000016640807 818461777 /nfs/dbraw/zinc/46/17/77/818461777.db2.gz SKTQKDQPAZUXRG-UHFFFAOYSA-N -1 0 376.412 4.252 20 5 GIBDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(C)c3)c2)n1 ZINC000410355571 823472130 /nfs/dbraw/zinc/47/21/30/823472130.db2.gz UMSVBOGKBJKKOO-UHFFFAOYSA-N -1 0 389.458 4.136 20 5 GIBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189683638 823474829 /nfs/dbraw/zinc/47/48/29/823474829.db2.gz NZJHXHOQZBLQFZ-GOSISDBHSA-N -1 0 392.415 4.058 20 5 GIBDRM CCOc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)cc1 ZINC000031899595 820872434 /nfs/dbraw/zinc/87/24/34/820872434.db2.gz OKFFBQHGMXMUPY-NRFANRHFSA-N -1 0 392.411 4.219 20 5 GIBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc1[O-] ZINC000189933459 823515326 /nfs/dbraw/zinc/51/53/26/823515326.db2.gz BGMLJGQKOKIAKB-UHFFFAOYSA-N -1 0 376.328 4.205 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000032586498 820972979 /nfs/dbraw/zinc/97/29/79/820972979.db2.gz VXFPEOMRNRRPHO-UHFFFAOYSA-N -1 0 382.441 4.295 20 5 GIBDRM CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2)cc1 ZINC000183898622 822542664 /nfs/dbraw/zinc/54/26/64/822542664.db2.gz JVMZLCYUNPVCPZ-UHFFFAOYSA-N -1 0 396.403 4.045 20 5 GIBDRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184681972 822675705 /nfs/dbraw/zinc/67/57/05/822675705.db2.gz NCBZIPRZEMBHGC-UHFFFAOYSA-N -1 0 379.416 4.110 20 5 GIBDRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc([N+](=O)[O-])s1 ZINC000174913833 822855101 /nfs/dbraw/zinc/85/51/01/822855101.db2.gz MENIPWFQLKCVKD-UHFFFAOYSA-N -1 0 377.603 4.030 20 5 GIBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1NC(=O)c1ccccc1 ZINC000124911420 823636216 /nfs/dbraw/zinc/63/62/16/823636216.db2.gz DZCRRXUCVCFIAQ-UHFFFAOYSA-N -1 0 391.383 4.113 20 5 GIBDRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000574540111 823759282 /nfs/dbraw/zinc/75/92/82/823759282.db2.gz ITYRHKHTHVWPMJ-QWRGUYRKSA-N -1 0 382.338 4.241 20 5 GIBDRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1ncco1 ZINC000164664187 823815265 /nfs/dbraw/zinc/81/52/65/823815265.db2.gz JLTNHEZJKDLZBH-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414073352 823901870 /nfs/dbraw/zinc/90/18/70/823901870.db2.gz FQTBAFGHMDUHCS-LJQANCHMSA-N -1 0 390.823 4.236 20 5 GIBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] ZINC000176640654 823255237 /nfs/dbraw/zinc/25/52/37/823255237.db2.gz GLRWDNOGMKUULB-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM COc1ccc2cc(CNc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])ccc2c1 ZINC000013465272 818212886 /nfs/dbraw/zinc/21/28/86/818212886.db2.gz WGRSEUHWUPYGRR-RUDMXATFSA-N -1 0 378.384 4.467 20 5 GIBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410188898 823414599 /nfs/dbraw/zinc/41/45/99/823414599.db2.gz HSOGBWWNHZKKKA-UHFFFAOYSA-N -1 0 378.787 4.055 20 5 GIBDRM Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)cs1 ZINC000030706733 820668452 /nfs/dbraw/zinc/66/84/52/820668452.db2.gz OTOAKOAFIWURCM-NSHDSACASA-N -1 0 383.429 4.223 20 5 GIBDRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000181908536 822034190 /nfs/dbraw/zinc/03/41/90/822034190.db2.gz YQOLBLGESCQIQJ-UHFFFAOYSA-N -1 0 379.416 4.110 20 5 GIBDRM O=C([O-])CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000178100410 822319144 /nfs/dbraw/zinc/31/91/44/822319144.db2.gz XHOSELBUOGALRS-OAHLLOKOSA-N -1 0 384.413 4.145 20 5 GIBDRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C1CC1 ZINC000186069010 822849064 /nfs/dbraw/zinc/84/90/64/822849064.db2.gz WYJIAVLRYYOYDL-SECBINFHSA-N -1 0 378.816 4.251 20 5 GIBDRM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124914336 823636398 /nfs/dbraw/zinc/63/63/98/823636398.db2.gz KIHBNKGIGFQZCH-UHFFFAOYSA-N -1 0 387.820 4.008 20 5 GIBDRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000574470701 823738815 /nfs/dbraw/zinc/73/88/15/823738815.db2.gz ISIDUTBZWKENSW-HOTGVXAUSA-N -1 0 389.795 4.070 20 5 GIBDRM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000574795876 823828929 /nfs/dbraw/zinc/82/89/29/823828929.db2.gz UABHTPVDZVTFLX-UHFFFAOYSA-N -1 0 396.440 4.240 20 5 GIBDRM Cc1nc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000165250468 823841315 /nfs/dbraw/zinc/84/13/15/823841315.db2.gz GKJLXEWZTCITRL-UHFFFAOYSA-N -1 0 396.639 4.059 20 5 GIBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175973096 823085782 /nfs/dbraw/zinc/08/57/82/823085782.db2.gz LCPKSCAEJMKEFC-UHFFFAOYSA-N -1 0 393.808 4.068 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461333113 823618994 /nfs/dbraw/zinc/61/89/94/823618994.db2.gz QXUHJBWMPMUXNG-UHFFFAOYSA-N -1 0 380.369 4.038 20 5 GIBDRM O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000012017672 818136269 /nfs/dbraw/zinc/13/62/69/818136269.db2.gz QZIJTOHVNUPQBV-UHFFFAOYSA-N -1 0 389.820 4.253 20 5 GIBDRM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])s1 ZINC000014582097 818252150 /nfs/dbraw/zinc/25/21/50/818252150.db2.gz CQCYQBFMBDVYLQ-UHFFFAOYSA-N -1 0 396.450 4.192 20 5 GIBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000572417550 823336095 /nfs/dbraw/zinc/33/60/95/823336095.db2.gz XYPGKMWNRLTDAH-UHFFFAOYSA-N -1 0 388.449 4.119 20 5 GIBDRM Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000021360282 818680523 /nfs/dbraw/zinc/68/05/23/818680523.db2.gz IMDBHVSGHHDVPS-OAQYLSRUSA-N -1 0 389.411 4.376 20 5 GIBDRM O=C1c2ccccc2N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N1CCc1ccccc1 ZINC000024034843 819012160 /nfs/dbraw/zinc/01/21/60/819012160.db2.gz LWQPZEYHFRVWTJ-OAQYLSRUSA-N -1 0 389.411 4.110 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000573355621 823483607 /nfs/dbraw/zinc/48/36/07/823483607.db2.gz BLVRELFZXXGVFT-UHFFFAOYSA-N -1 0 399.428 4.200 20 5 GIBDRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000410406408 823488960 /nfs/dbraw/zinc/48/89/60/823488960.db2.gz LDQLDDARMYEILW-UHFFFAOYSA-N -1 0 383.857 4.259 20 5 GIBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)ccc1Cl ZINC000032097157 820897476 /nfs/dbraw/zinc/89/74/76/820897476.db2.gz HHDYIVVRFVMZBP-UHFFFAOYSA-N -1 0 393.808 4.068 20 5 GIBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000460839129 823526097 /nfs/dbraw/zinc/52/60/97/823526097.db2.gz YSEGIPIRGNXOPX-UHFFFAOYSA-N -1 0 394.758 4.154 20 5 GIBDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000181755096 821977796 /nfs/dbraw/zinc/97/77/96/821977796.db2.gz AYUYLPCGMBEERG-UHFFFAOYSA-N -1 0 389.458 4.136 20 5 GIBDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 ZINC000180152869 822627982 /nfs/dbraw/zinc/62/79/82/822627982.db2.gz VMISHXFEHGDCQU-UHFFFAOYSA-N -1 0 388.367 4.340 20 5 GIBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000175777118 823037851 /nfs/dbraw/zinc/03/78/51/823037851.db2.gz GVPZNGFOBRWTKC-UHFFFAOYSA-N -1 0 392.330 4.030 20 5 GIBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000190947384 823628939 /nfs/dbraw/zinc/62/89/39/823628939.db2.gz GVHMSZRKRBQQEQ-UHFFFAOYSA-N -1 0 386.407 4.412 20 5 GIBDRM O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164066351 823774698 /nfs/dbraw/zinc/77/46/98/823774698.db2.gz MRTGTTJRLOTHFN-UHFFFAOYSA-N -1 0 381.413 4.240 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C ZINC000065079665 823937221 /nfs/dbraw/zinc/93/72/21/823937221.db2.gz WGSVBMSTXPUQBT-UHFFFAOYSA-N -1 0 399.428 4.200 20 5 GIBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000571008325 823119160 /nfs/dbraw/zinc/11/91/60/823119160.db2.gz ARJIUSKOQAZFII-MAUKXSAKSA-N -1 0 399.447 4.212 20 5 GIBDRM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])s1 ZINC000021954126 818758709 /nfs/dbraw/zinc/75/87/09/818758709.db2.gz HHBYJDRLTUHCJO-UHFFFAOYSA-N -1 0 378.460 4.052 20 5 GIBDRM O=C1c2ccccc2N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N1c1ccc(F)cc1 ZINC000024079857 819020029 /nfs/dbraw/zinc/02/00/29/819020029.db2.gz NMLBVVVUQUQNQT-IBGZPJMESA-N -1 0 379.347 4.211 20 5 GIBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)ccc2c1 ZINC000183129258 822428207 /nfs/dbraw/zinc/42/82/07/822428207.db2.gz QKBILGTUWQYJES-UHFFFAOYSA-N -1 0 398.227 4.251 20 5 GIBDRM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183902117 822543163 /nfs/dbraw/zinc/54/31/63/822543163.db2.gz JDIKXHWYQYWIQB-UHFFFAOYSA-N -1 0 391.742 4.309 20 5 GIBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000180160127 822629550 /nfs/dbraw/zinc/62/95/50/822629550.db2.gz BNHBMONZRUQFQJ-UHFFFAOYSA-N -1 0 375.233 4.319 20 5 GIBDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)cc1Cl ZINC000180211968 822640430 /nfs/dbraw/zinc/64/04/30/822640430.db2.gz BYWJUSLXABGCDW-UHFFFAOYSA-N -1 0 396.639 4.059 20 5 GIBDRM Cc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000570183532 823013016 /nfs/dbraw/zinc/01/30/16/823013016.db2.gz CMRKAKZIKDGLIW-UHFFFAOYSA-N -1 0 385.601 4.277 20 5 GIBDRM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000064664412 823859488 /nfs/dbraw/zinc/85/94/88/823859488.db2.gz RHILMKVIWWKQEA-UHFFFAOYSA-N -1 0 382.347 4.271 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414070721 823901601 /nfs/dbraw/zinc/90/16/01/823901601.db2.gz CPLTWEQRVLNUMB-IBGZPJMESA-N -1 0 390.823 4.182 20 5 GIBDRM CCc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462424858 823970490 /nfs/dbraw/zinc/97/04/90/823970490.db2.gz FUARZWPELLGOLJ-UHFFFAOYSA-N -1 0 395.289 4.004 20 5 GIBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2ccncc2)nc2ccccc21 ZINC000120869383 823079901 /nfs/dbraw/zinc/07/99/01/823079901.db2.gz RLOWQSQMIBRONX-UHFFFAOYSA-N -1 0 386.367 4.163 20 5 GIBDRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1Cl ZINC000007054293 817748002 /nfs/dbraw/zinc/74/80/02/817748002.db2.gz FNQFOHPEVJGSBX-UHFFFAOYSA-N -1 0 391.232 4.025 20 5 GIBDRM CCOc1ccc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)cc1 ZINC000010998766 818041980 /nfs/dbraw/zinc/04/19/80/818041980.db2.gz WZOWPOGLOGYVFO-UHFFFAOYSA-N -1 0 398.459 4.184 20 5 GIBDRM Cn1c2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2nc1C(F)F ZINC000409892027 823337338 /nfs/dbraw/zinc/33/73/38/823337338.db2.gz KBDRYAWWXZBKOO-UHFFFAOYSA-N -1 0 396.737 4.030 20 5 GIBDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000122470739 823359169 /nfs/dbraw/zinc/35/91/69/823359169.db2.gz HZMHSXHZLOXWEC-UHFFFAOYSA-N -1 0 389.886 4.012 20 5 GIBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c([N+](=O)[O-])c1 ZINC000025146885 819935865 /nfs/dbraw/zinc/93/58/65/819935865.db2.gz QCXUHZKTPHAVQS-UHFFFAOYSA-N -1 0 390.442 4.133 20 5 GIBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000123204284 823478398 /nfs/dbraw/zinc/47/83/98/823478398.db2.gz QDRMUBVFFLPSFY-UHFFFAOYSA-N -1 0 380.731 4.068 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000059773831 823498269 /nfs/dbraw/zinc/49/82/69/823498269.db2.gz ZAHUFFPSRFRORE-UHFFFAOYSA-N -1 0 389.433 4.143 20 5 GIBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2SC2CCCC2)ccc1[O-] ZINC000032094458 820896315 /nfs/dbraw/zinc/89/63/15/820896315.db2.gz QZZDXVRAAZRGFO-UHFFFAOYSA-N -1 0 394.474 4.136 20 5 GIBDRM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000460822171 823522264 /nfs/dbraw/zinc/52/22/64/823522264.db2.gz DQYDAZZQRXWEAQ-UHFFFAOYSA-N -1 0 380.491 4.346 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1C ZINC000060442796 823528486 /nfs/dbraw/zinc/52/84/86/823528486.db2.gz ADIJCNJAJWTIDR-UHFFFAOYSA-N -1 0 389.433 4.277 20 5 GIBDRM Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cs2)o1 ZINC000180784666 821456381 /nfs/dbraw/zinc/45/63/81/821456381.db2.gz YNNQLNCWFKDUIJ-UHFFFAOYSA-N -1 0 393.808 4.160 20 5 GIBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000180161311 822629767 /nfs/dbraw/zinc/62/97/67/822629767.db2.gz ZAILWTDEXFHTCH-UHFFFAOYSA-N -1 0 392.330 4.170 20 5 GIBDRM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185106490 822738065 /nfs/dbraw/zinc/73/80/65/822738065.db2.gz YYDDJSZOTUPSHU-UHFFFAOYSA-N -1 0 391.383 4.113 20 5 GIBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000569833260 822973913 /nfs/dbraw/zinc/97/39/13/822973913.db2.gz HGLHRJHTPQPCOF-UHFFFAOYSA-N -1 0 385.601 4.277 20 5 GIBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461118060 823580727 /nfs/dbraw/zinc/58/07/27/823580727.db2.gz DXLHRNOGEWHDMK-UHFFFAOYSA-N -1 0 380.369 4.093 20 5 GIBDRM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000061637599 823607229 /nfs/dbraw/zinc/60/72/29/823607229.db2.gz SHJQUNZBRPIZEP-GOSISDBHSA-N -1 0 398.365 4.292 20 5 GIBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc([N+](=O)[O-])cc1Br ZINC000163690058 823737377 /nfs/dbraw/zinc/73/73/77/823737377.db2.gz YCAHDOLCESSAFK-UHFFFAOYSA-N -1 0 394.206 4.040 20 5 GIBDRM Cn1c2ccccc2nc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000064053411 823741002 /nfs/dbraw/zinc/74/10/02/823741002.db2.gz SJDDTHSRZBGYAI-UHFFFAOYSA-N -1 0 388.383 4.106 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414073351 823902102 /nfs/dbraw/zinc/90/21/02/823902102.db2.gz FQTBAFGHMDUHCS-IBGZPJMESA-N -1 0 390.823 4.236 20 5 GIBDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)s1 ZINC000462371028 823945800 /nfs/dbraw/zinc/94/58/00/823945800.db2.gz TUWKFUZUIZNYRO-UHFFFAOYSA-N -1 0 391.474 4.303 20 5 GIBDRM Cc1ccc(C[C@@H](Sc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000575882794 824019239 /nfs/dbraw/zinc/01/92/39/824019239.db2.gz ZWHQOAYHHWHWJN-CYBMUJFWSA-N -1 0 386.351 4.105 20 5 GIBDRM Cc1cc(N[C@@H](C)c2nc(C(F)(F)F)cs2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570687169 823071907 /nfs/dbraw/zinc/07/19/07/823071907.db2.gz UDONZPUQIJFDSR-ZETCQYMHSA-N -1 0 375.328 4.250 20 5 GIBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000571526052 823195798 /nfs/dbraw/zinc/19/57/98/823195798.db2.gz XJJYLNATUQKIMZ-HNNXBMFYSA-N -1 0 375.812 4.106 20 5 GIBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000571804678 823236857 /nfs/dbraw/zinc/23/68/57/823236857.db2.gz WWYODBIXSBGNRG-UHFFFAOYSA-N -1 0 398.394 4.001 20 5 GIBDRM CCOc1cc2c(cc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000013212309 818206108 /nfs/dbraw/zinc/20/61/08/818206108.db2.gz MSJVVJBUTXTVRQ-VUDGCMKMSA-N -1 0 398.415 4.027 20 5 GIBDRM O=C1c2ccccc2N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N1CCc1ccccc1 ZINC000024034845 819012219 /nfs/dbraw/zinc/01/22/19/819012219.db2.gz LWQPZEYHFRVWTJ-NRFANRHFSA-N -1 0 389.411 4.110 20 5 GIBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(c1ccccc1)c1ccccc1 ZINC000031380897 820800812 /nfs/dbraw/zinc/80/08/12/820800812.db2.gz NRVULVQFTYTPMF-OAHLLOKOSA-N -1 0 376.412 4.251 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000460833356 823524965 /nfs/dbraw/zinc/52/49/65/823524965.db2.gz QLVQZPCFMOXMIN-UHFFFAOYSA-N -1 0 394.424 4.165 20 5 GIBDRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180785096 821456397 /nfs/dbraw/zinc/45/63/97/821456397.db2.gz HILZZPHTTPJZOH-UHFFFAOYSA-N -1 0 393.808 4.160 20 5 GIBDRM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccc([N+](=O)[O-])s1 ZINC000186103091 822852067 /nfs/dbraw/zinc/85/20/67/822852067.db2.gz FBMWYRSTSKVXAE-UHFFFAOYSA-N -1 0 384.801 4.220 20 5 GIBDRM C[C@@](NC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000569182453 822889712 /nfs/dbraw/zinc/88/97/12/822889712.db2.gz YFRCMCVQYLFOIW-INIZCTEOSA-N -1 0 398.202 4.023 20 5 GIBDRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164304614 823794644 /nfs/dbraw/zinc/79/46/44/823794644.db2.gz MBZQWHZSGXLSDZ-UHFFFAOYSA-N -1 0 379.416 4.110 20 5 GIBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000165161430 823836887 /nfs/dbraw/zinc/83/68/87/823836887.db2.gz POEHUNISHNNDIG-UHFFFAOYSA-N -1 0 392.330 4.170 20 5 GIBDRM CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000574982394 823879145 /nfs/dbraw/zinc/87/91/45/823879145.db2.gz BRVABGFRKTVHFJ-AWEZNQCLSA-N -1 0 398.202 4.191 20 5 GIBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126571140 823902059 /nfs/dbraw/zinc/90/20/59/823902059.db2.gz BOXZIYVCULAYEH-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM COCCSc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000575409753 823967497 /nfs/dbraw/zinc/96/74/97/823967497.db2.gz YKZMDJKWEWVYTI-GFCCVEGCSA-N -1 0 376.434 4.205 20 5 GIBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1[N+](=O)[O-] ZINC000010512247 204336131 /nfs/dbraw/zinc/33/61/31/204336131.db2.gz TUFHOTGSFLOVBZ-UHFFFAOYSA-N -1 0 390.442 4.133 20 5 GIBDRM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176661826 823260456 /nfs/dbraw/zinc/26/04/56/823260456.db2.gz XJKQXSULBFFZFV-UHFFFAOYSA-N -1 0 378.384 4.270 20 5 GIBDRM C[C@H](Oc1cccc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)c1)C(=O)[O-] ZINC000177617928 823502226 /nfs/dbraw/zinc/50/22/26/823502226.db2.gz MGGRPWBLVMMDLU-WULZRQGASA-N -1 0 388.763 4.325 20 5 GIBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1C ZINC000032097325 820897554 /nfs/dbraw/zinc/89/75/54/820897554.db2.gz CZLFCTBICKZTMV-UHFFFAOYSA-N -1 0 387.417 4.031 20 5 GIBDRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Cl ZINC000060443418 823528471 /nfs/dbraw/zinc/52/84/71/823528471.db2.gz AKBKACNWEUAOTO-UHFFFAOYSA-N -1 0 384.841 4.065 20 5 GIBDRM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180113505 822618043 /nfs/dbraw/zinc/61/80/43/822618043.db2.gz UNMWSFVPUYAGMB-UHFFFAOYSA-N -1 0 399.790 4.180 20 5 GIBDRM Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000052507795 822802040 /nfs/dbraw/zinc/80/20/40/822802040.db2.gz JJUFWWXGISPMJM-CMDGGOBGSA-N -1 0 392.415 4.028 20 5 GIBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000569270207 822898923 /nfs/dbraw/zinc/89/89/23/822898923.db2.gz AIXSDGJMPQOGTP-UHFFFAOYSA-N -1 0 394.349 4.339 20 5 GIBDRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055652169 822993509 /nfs/dbraw/zinc/99/35/09/822993509.db2.gz MLOLZFCSYOYATG-UHFFFAOYSA-N -1 0 384.841 4.145 20 5 GIBDRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191648063 823723568 /nfs/dbraw/zinc/72/35/68/823723568.db2.gz KLCPFZPMMLQUKK-LLVKDONJSA-N -1 0 391.449 4.015 20 5 GIBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000125998478 823763440 /nfs/dbraw/zinc/76/34/40/823763440.db2.gz FTGZXGNMJXOWRM-UHFFFAOYSA-N -1 0 383.223 4.037 20 5 GIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000120852257 823076864 /nfs/dbraw/zinc/07/68/64/823076864.db2.gz HKNBUTQVWKQBFD-UHFFFAOYSA-N -1 0 380.731 4.068 20 5 GIBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571023480 823121620 /nfs/dbraw/zinc/12/16/20/823121620.db2.gz REOIMWPKLNKFHX-BLLLJJGKSA-N -1 0 395.843 4.136 20 5 GIBDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007417570 817836052 /nfs/dbraw/zinc/83/60/52/817836052.db2.gz GYMDBZZURGJFAP-UHFFFAOYSA-N -1 0 391.232 4.019 20 5 GIBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2s1 ZINC000007419840 817837131 /nfs/dbraw/zinc/83/71/31/817837131.db2.gz MRSAPJUELGWXLT-UHFFFAOYSA-N -1 0 397.865 4.276 20 5 GIBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)n1 ZINC000572176138 823295010 /nfs/dbraw/zinc/29/50/10/823295010.db2.gz LXSGUYTYRBNOIR-UHFFFAOYSA-N -1 0 383.429 4.074 20 5 GIBDRM COc1cc(/C=C(\Cl)c2nc3cc(F)c(F)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000027542213 820257726 /nfs/dbraw/zinc/25/77/26/820257726.db2.gz NVJYSIMIUOXEGY-WAPJZHGLSA-N -1 0 381.722 4.200 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000032591085 820973780 /nfs/dbraw/zinc/97/37/80/820973780.db2.gz SHFDOSJWQBPLRL-UHFFFAOYSA-N -1 0 376.434 4.025 20 5 GIBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000460824562 823522967 /nfs/dbraw/zinc/52/29/67/823522967.db2.gz OLVLWJVGPRQNEC-UHFFFAOYSA-N -1 0 394.424 4.165 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)cccc1Br ZINC000181536757 821871837 /nfs/dbraw/zinc/87/18/37/821871837.db2.gz QAVPBPYSOXUZIJ-UHFFFAOYSA-N -1 0 389.564 4.108 20 5 GIBDRM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000180162145 822630045 /nfs/dbraw/zinc/63/00/45/822630045.db2.gz BJSXHOAENAPJHK-UHFFFAOYSA-N -1 0 399.266 4.083 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000185324175 822766102 /nfs/dbraw/zinc/76/61/02/822766102.db2.gz SSQJHVIDRVVNAJ-UHFFFAOYSA-N -1 0 392.864 4.351 20 5 GIBDRM Cc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461725443 823687883 /nfs/dbraw/zinc/68/78/83/823687883.db2.gz CJGVGORFUBCBFQ-UHFFFAOYSA-N -1 0 398.366 4.269 20 5 GIBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000191850789 823796242 /nfs/dbraw/zinc/79/62/42/823796242.db2.gz FHQITFFRTDMPBO-UHFFFAOYSA-N -1 0 396.384 4.120 20 5 GIBDRM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000571786401 823234314 /nfs/dbraw/zinc/23/43/14/823234314.db2.gz ACAPAOQTMCYXTP-NSHDSACASA-N -1 0 382.338 4.022 20 5 GIBDRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000188560290 823262214 /nfs/dbraw/zinc/26/22/14/823262214.db2.gz XISJWSOXVAZQNQ-UHFFFAOYSA-N -1 0 393.371 4.056 20 5 GIBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000007708616 817899382 /nfs/dbraw/zinc/89/93/82/817899382.db2.gz BHCSUQHGKKFVIF-UHFFFAOYSA-N -1 0 384.413 4.071 20 5 GIBDRM O=C1c2ccccc2N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N1Cc1ccccc1 ZINC000024079994 819020166 /nfs/dbraw/zinc/02/01/66/819020166.db2.gz ZIPNHGKAGIFWJF-HXUWFJFHSA-N -1 0 375.384 4.067 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410423507 823493407 /nfs/dbraw/zinc/49/34/07/823493407.db2.gz YGHXCULZHIUBEL-UHFFFAOYSA-N -1 0 379.196 4.150 20 5 GIBDRM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031397603 820803844 /nfs/dbraw/zinc/80/38/44/820803844.db2.gz WJYPBKIVPPJHOO-UHFFFAOYSA-N -1 0 382.347 4.271 20 5 GIBDRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180771046 821445125 /nfs/dbraw/zinc/44/51/25/821445125.db2.gz TTYNZSKGSFGKNZ-UHFFFAOYSA-N -1 0 395.849 4.320 20 5 GIBDRM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000180775142 821448519 /nfs/dbraw/zinc/44/85/19/821448519.db2.gz KSDYPAWMPNNSAW-UHFFFAOYSA-N -1 0 391.811 4.191 20 5 GIBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cccc1C(=O)Nc1ccccc1 ZINC000184444689 822636426 /nfs/dbraw/zinc/63/64/26/822636426.db2.gz OHIMQVNPAWNGJD-UHFFFAOYSA-N -1 0 391.383 4.113 20 5 GIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c2cccnc21 ZINC000184966082 822719531 /nfs/dbraw/zinc/71/95/31/822719531.db2.gz ZUEMAKYFGSXKDN-UHFFFAOYSA-N -1 0 398.227 4.251 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000569913684 822985077 /nfs/dbraw/zinc/98/50/77/822985077.db2.gz SHMWCOGDECKXBH-UHFFFAOYSA-N -1 0 379.196 4.150 20 5 GIBDRM O=C([O-])c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl ZINC000177919610 823546247 /nfs/dbraw/zinc/54/62/47/823546247.db2.gz VPPIRCYVTVFSLU-UHFFFAOYSA-N -1 0 376.777 4.413 20 5 GIBDRM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124958977 823640620 /nfs/dbraw/zinc/64/06/20/823640620.db2.gz ATLZGUODAHETTB-UHFFFAOYSA-N -1 0 387.779 4.180 20 5 GIBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879523 823704844 /nfs/dbraw/zinc/70/48/44/823704844.db2.gz DIDOOOSHDYMHTK-UHFFFAOYSA-N -1 0 389.458 4.191 20 5 GIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000191775815 823764278 /nfs/dbraw/zinc/76/42/78/823764278.db2.gz ZRCSRTLPFZVTKW-UHFFFAOYSA-N -1 0 392.330 4.170 20 5 GIBDRM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166084963 823869431 /nfs/dbraw/zinc/86/94/31/823869431.db2.gz XJOZSUCIFIRMIY-UHFFFAOYSA-N -1 0 391.355 4.263 20 5 GIBDRM O=C([O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000575155132 823925957 /nfs/dbraw/zinc/92/59/57/823925957.db2.gz DNOSFLNAOVOAJW-UHFFFAOYSA-N -1 0 378.340 4.338 20 5 GIBDRM O=C([O-])c1ccccc1CC1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000575184997 823933772 /nfs/dbraw/zinc/93/37/72/823933772.db2.gz JFXLNCAFIUHTSH-UHFFFAOYSA-N -1 0 391.427 4.300 20 5 GIBDRM COc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000011520050 818092161 /nfs/dbraw/zinc/09/21/61/818092161.db2.gz LROXIPSTFFUJOM-UHFFFAOYSA-N -1 0 380.356 4.354 20 5 GIBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)n2)c([N+](=O)[O-])c1 ZINC000572506316 823351105 /nfs/dbraw/zinc/35/11/05/823351105.db2.gz ADLAAPHXFJYNBH-UHFFFAOYSA-N -1 0 383.429 4.074 20 5 GIBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(c1ccccc1)c1ccccc1 ZINC000031380901 820800671 /nfs/dbraw/zinc/80/06/71/820800671.db2.gz NRVULVQFTYTPMF-HNNXBMFYSA-N -1 0 376.412 4.251 20 5 GIBDRM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2C)c1 ZINC000460821418 823521976 /nfs/dbraw/zinc/52/19/76/823521976.db2.gz AUCMOVXPNILHMD-UHFFFAOYSA-N -1 0 399.428 4.200 20 5 GIBDRM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000460823766 823522669 /nfs/dbraw/zinc/52/26/69/823522669.db2.gz SGIXHWLGLRKDBE-UHFFFAOYSA-N -1 0 398.481 4.485 20 5 GIBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000178173948 822341602 /nfs/dbraw/zinc/34/16/02/822341602.db2.gz VSMQSJBJDIHLSU-GTNSWQLSSA-N -1 0 384.413 4.001 20 5 GIBDRM CC(C)Oc1ccc(Br)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183381525 822466325 /nfs/dbraw/zinc/46/63/25/822466325.db2.gz BFXOQFSYPFNRLP-UHFFFAOYSA-N -1 0 395.209 4.102 20 5 GIBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)cc1Cl ZINC000179643783 822518649 /nfs/dbraw/zinc/51/86/49/822518649.db2.gz HJGSQUYCENWZDP-UHFFFAOYSA-N -1 0 396.639 4.059 20 5 GIBDRM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124934396 823638584 /nfs/dbraw/zinc/63/85/84/823638584.db2.gz NXVSKKLSDWVCSV-UHFFFAOYSA-N -1 0 391.742 4.309 20 5 GIBDRM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124969581 823641506 /nfs/dbraw/zinc/64/15/06/823641506.db2.gz WOFAVRCNIKFFES-UHFFFAOYSA-N -1 0 387.779 4.180 20 5 GIBDRM C[C@@H](Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)C(=O)[O-] ZINC000191418505 823682975 /nfs/dbraw/zinc/68/29/75/823682975.db2.gz TUFZBQMUNHRSCV-NSHDSACASA-N -1 0 384.413 4.325 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000191565337 823700645 /nfs/dbraw/zinc/70/06/45/823700645.db2.gz RDDIIABNJALOSP-UHFFFAOYSA-N -1 0 392.330 4.170 20 5 GIBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1c2ccccc2-c2ccccc21 ZINC000191619437 823715536 /nfs/dbraw/zinc/71/55/36/823715536.db2.gz XYDLIKFUUKRQFN-UHFFFAOYSA-N -1 0 388.379 4.135 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000191804358 823774573 /nfs/dbraw/zinc/77/45/73/823774573.db2.gz ZIUZWXBRDZFXGM-UHFFFAOYSA-N -1 0 388.367 4.117 20 5 GIBDRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164348740 823797323 /nfs/dbraw/zinc/79/73/23/823797323.db2.gz YMBGEPFSKHYOJY-NSHDSACASA-N -1 0 383.429 4.223 20 5 GIBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nn1C1CCCCC1 ZINC000575171356 823930948 /nfs/dbraw/zinc/93/09/48/823930948.db2.gz RIFWNJLEXCNGPU-UHFFFAOYSA-N -1 0 392.481 4.023 20 5 GIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccnc21 ZINC000462374289 823947349 /nfs/dbraw/zinc/94/73/49/823947349.db2.gz VJVIEBAYFUCFOD-UHFFFAOYSA-N -1 0 398.227 4.251 20 5 GIBDRM Cc1ccc(C[C@H](Sc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000575882795 824019230 /nfs/dbraw/zinc/01/92/30/824019230.db2.gz ZWHQOAYHHWHWJN-ZDUSSCGKSA-N -1 0 386.351 4.105 20 5 GIBDRM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000024101384 207287321 /nfs/dbraw/zinc/28/73/21/207287321.db2.gz RTDQLXMNZMJKSB-UHFFFAOYSA-N -1 0 383.429 4.448 20 5 GIBDRM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000007051973 817747497 /nfs/dbraw/zinc/74/74/97/817747497.db2.gz JTCMHAYKPMYLAH-UHFFFAOYSA-N -1 0 387.392 4.278 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410202334 823418731 /nfs/dbraw/zinc/41/87/31/823418731.db2.gz JOUAHXNOXPSFSP-UHFFFAOYSA-N -1 0 378.787 4.055 20 5 GIBDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000410334370 823466158 /nfs/dbraw/zinc/46/61/58/823466158.db2.gz DXVAWHYQHWFLGV-UHFFFAOYSA-N -1 0 389.458 4.136 20 5 GIBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189683619 823474814 /nfs/dbraw/zinc/47/48/14/823474814.db2.gz NZJHXHOQZBLQFZ-SFHVURJKSA-N -1 0 392.415 4.058 20 5 GIBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)cs1 ZINC000032589076 820973680 /nfs/dbraw/zinc/97/36/80/820973680.db2.gz ZTWHKMMPWQQBHL-UHFFFAOYSA-N -1 0 389.458 4.136 20 5 GIBDRM Cc1cc(Br)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000182906230 822390188 /nfs/dbraw/zinc/39/01/88/822390188.db2.gz BESSCOJQGLWTBD-UHFFFAOYSA-N -1 0 385.601 4.277 20 5 GIBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182913342 822391566 /nfs/dbraw/zinc/39/15/66/822391566.db2.gz WFQCWTJVEUZJGX-UHFFFAOYSA-N -1 0 397.250 4.346 20 5 GIBDRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183903062 822543378 /nfs/dbraw/zinc/54/33/78/822543378.db2.gz PUWGGGALIFTTJA-UHFFFAOYSA-N -1 0 397.334 4.490 20 5 GIBDRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185637768 822805250 /nfs/dbraw/zinc/80/52/50/822805250.db2.gz RIAGXDVUKYBVGD-UHFFFAOYSA-N -1 0 385.445 4.376 20 5 GIBDRM CC[C@H](C)n1ncc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C1CC1 ZINC000186069026 822849026 /nfs/dbraw/zinc/84/90/26/822849026.db2.gz WYJIAVLRYYOYDL-VIFPVBQESA-N -1 0 378.816 4.251 20 5 GIBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2[N+](=O)[O-])C1 ZINC000569480871 822927955 /nfs/dbraw/zinc/92/79/55/822927955.db2.gz OPHXDABBVVDVBT-OKILXGFUSA-N -1 0 397.431 4.028 20 5 GIBDRM C[C@H](Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000191419922 823683178 /nfs/dbraw/zinc/68/31/78/823683178.db2.gz IZQAUOJDEQJJND-SNVBAGLBSA-N -1 0 396.321 4.129 20 5 GIBDRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])onc1C1CCCCC1 ZINC000575101979 823912892 /nfs/dbraw/zinc/91/28/92/823912892.db2.gz IAGNQPHHDDGWAT-UHFFFAOYSA-N -1 0 379.438 4.048 20 5 GIBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000571008323 823119153 /nfs/dbraw/zinc/11/91/53/823119153.db2.gz ARJIUSKOQAZFII-CRAIPNDOSA-N -1 0 399.447 4.212 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000121537242 823201825 /nfs/dbraw/zinc/20/18/25/823201825.db2.gz SHMBYYKWXICKSR-UHFFFAOYSA-N -1 0 380.322 4.124 20 5 GIBDRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000122005796 823291856 /nfs/dbraw/zinc/29/18/56/823291856.db2.gz FTBOLXMBUPLFLH-UHFFFAOYSA-N -1 0 379.706 4.434 20 5 GIBDRM COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)oc1ccccc12 ZINC000176912310 823322666 /nfs/dbraw/zinc/32/26/66/823322666.db2.gz ZSWMEECJIVBHHK-UHFFFAOYSA-N -1 0 378.340 4.461 20 5 GIBDRM O=C1c2ccccc2N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N1c1ccc(F)cc1 ZINC000024079855 819019973 /nfs/dbraw/zinc/01/99/73/819019973.db2.gz NMLBVVVUQUQNQT-LJQANCHMSA-N -1 0 379.347 4.211 20 5 GIBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410419634 823491993 /nfs/dbraw/zinc/49/19/93/823491993.db2.gz PTHLPEORXLZQCR-UHFFFAOYSA-N -1 0 399.614 4.495 20 5 GIBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097439 820897365 /nfs/dbraw/zinc/89/73/65/820897365.db2.gz CQFZNTFBCHXFJA-UHFFFAOYSA-N -1 0 389.433 4.143 20 5 GIBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000180816730 821477237 /nfs/dbraw/zinc/47/72/37/821477237.db2.gz RWOVZRJSJGFDEC-UHFFFAOYSA-N -1 0 394.758 4.209 20 5 GIBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000182133004 822110443 /nfs/dbraw/zinc/11/04/43/822110443.db2.gz PEMNPMNTWBZSON-UHFFFAOYSA-N -1 0 389.411 4.167 20 5 GIBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000179647910 822519421 /nfs/dbraw/zinc/51/94/21/822519421.db2.gz DVCIJOYKWYUZHG-UHFFFAOYSA-N -1 0 376.583 4.216 20 5 GIBDRM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183911190 822544637 /nfs/dbraw/zinc/54/46/37/822544637.db2.gz LXMRPDOXZIVWIW-UHFFFAOYSA-N -1 0 389.820 4.259 20 5 GIBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(Cl)cc1F ZINC000184964417 822719343 /nfs/dbraw/zinc/71/93/43/822719343.db2.gz CEIIAMOEVACSRO-UHFFFAOYSA-N -1 0 395.799 4.045 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(C)cc(Br)cc1C ZINC000055619495 822988431 /nfs/dbraw/zinc/98/84/31/822988431.db2.gz FVHQJAKGOYEUMZ-UHFFFAOYSA-N -1 0 399.266 4.083 20 5 GIBDRM C[C@H](Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)C(=O)[O-] ZINC000191418519 823683012 /nfs/dbraw/zinc/68/30/12/823683012.db2.gz TUFZBQMUNHRSCV-LLVKDONJSA-N -1 0 384.413 4.325 20 5 GIBDRM C[C@@H](Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000191419910 823683131 /nfs/dbraw/zinc/68/31/31/823683131.db2.gz IZQAUOJDEQJJND-JTQLQIEISA-N -1 0 396.321 4.129 20 5 GIBDRM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)n1 ZINC000191624310 823717220 /nfs/dbraw/zinc/71/72/20/823717220.db2.gz GYGDDCDVTOXBIB-UHFFFAOYSA-N -1 0 390.799 4.074 20 5 GIBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000574540110 823759225 /nfs/dbraw/zinc/75/92/25/823759225.db2.gz ITYRHKHTHVWPMJ-MNOVXSKESA-N -1 0 382.338 4.241 20 5 GIBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126567610 823901232 /nfs/dbraw/zinc/90/12/32/823901232.db2.gz UPQSPPRWEWSXBF-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 ZINC000126820316 823959210 /nfs/dbraw/zinc/95/92/10/823959210.db2.gz MKUXXPYDNNJUMZ-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000016101112 818393077 /nfs/dbraw/zinc/39/30/77/818393077.db2.gz AUDPLXQIUDFUDW-UHFFFAOYSA-N -1 0 380.731 4.068 20 5 GIBDRM O=C1c2ccccc2N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N1Cc1ccccc1 ZINC000024079997 819020134 /nfs/dbraw/zinc/02/01/34/819020134.db2.gz ZIPNHGKAGIFWJF-FQEVSTJZSA-N -1 0 375.384 4.067 20 5 GIBDRM COc1cc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OCCC(=O)[O-] ZINC000460771140 823507977 /nfs/dbraw/zinc/50/79/77/823507977.db2.gz NNZOBEDVOVQUJO-YVMONPNESA-N -1 0 394.383 4.176 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000460828712 823524098 /nfs/dbraw/zinc/52/40/98/823524098.db2.gz CSROSSBXPKVURP-UHFFFAOYSA-N -1 0 394.424 4.165 20 5 GIBDRM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000460842090 823526580 /nfs/dbraw/zinc/52/65/80/823526580.db2.gz XHZRDXREPTXDSP-UHFFFAOYSA-N -1 0 380.491 4.346 20 5 GIBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)n1-c1nccs1 ZINC000180783254 821455833 /nfs/dbraw/zinc/45/58/33/821455833.db2.gz KPTMQOKCXHEEJQ-UHFFFAOYSA-N -1 0 392.824 4.070 20 5 GIBDRM CC(C)(C)n1nc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C1CC1 ZINC000180788666 821459414 /nfs/dbraw/zinc/45/94/14/821459414.db2.gz UNQMOQTZPCUTGD-UHFFFAOYSA-N -1 0 378.816 4.035 20 5 GIBDRM CC(C)c1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000183897989 822542435 /nfs/dbraw/zinc/54/24/35/822542435.db2.gz SHUJKKRUUDXKSE-UHFFFAOYSA-N -1 0 384.367 4.001 20 5 GIBDRM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2csc([N+](=O)[O-])c2)C1 ZINC000053103466 822821638 /nfs/dbraw/zinc/82/16/38/822821638.db2.gz VKIWQWDFNWYQCI-NTUHNPAUSA-N -1 0 395.440 4.279 20 5 GIBDRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1csc([N+](=O)[O-])c1 ZINC000174923521 822856594 /nfs/dbraw/zinc/85/65/94/822856594.db2.gz NBBLIJNXBNVJLG-UHFFFAOYSA-N -1 0 377.603 4.030 20 5 GIBDRM COCCSc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000575409754 823967650 /nfs/dbraw/zinc/96/76/50/823967650.db2.gz YKZMDJKWEWVYTI-LBPRGKRZSA-N -1 0 376.434 4.205 20 5 GIBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000176582456 823241697 /nfs/dbraw/zinc/24/16/97/823241697.db2.gz PSRJRGSYHGIISP-UHFFFAOYSA-N -1 0 394.758 4.376 20 5 GIBDRM CCc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)CC)c2C2CC2)cc1[N+](=O)[O-] ZINC000572762729 823394672 /nfs/dbraw/zinc/39/46/72/823394672.db2.gz CKZXAEHAFLFCHA-LBPRGKRZSA-N -1 0 392.481 4.003 20 5 GIBDRM CCOc1cc([N-]C(=O)c2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OCC ZINC000123276725 823489400 /nfs/dbraw/zinc/48/94/00/823489400.db2.gz HRBVJUFJOSLAKE-UHFFFAOYSA-N -1 0 397.387 4.300 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000031317861 820791653 /nfs/dbraw/zinc/79/16/53/820791653.db2.gz KYDBLLDMYRPXKH-UHFFFAOYSA-N -1 0 380.322 4.124 20 5 GIBDRM Cc1ccc(-c2csc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])n2)s1 ZINC000183379529 822466179 /nfs/dbraw/zinc/46/61/79/822466179.db2.gz COLMNFKXOPMNGZ-UHFFFAOYSA-N -1 0 395.487 4.030 20 5 GIBDRM O=C(CNc1ccccc1[N+](=O)[O-])Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000179647709 822519362 /nfs/dbraw/zinc/51/93/62/822519362.db2.gz CGLJXCBQGNKAGT-UHFFFAOYSA-N -1 0 390.610 4.311 20 5 GIBDRM CCOc1cc(-c2noc(-c3ccc(NC)c([N+](=O)[O-])c3)n2)cc(Cl)c1[O-] ZINC000569191960 822890866 /nfs/dbraw/zinc/89/08/66/822890866.db2.gz XPAARNAZRKCOJZ-UHFFFAOYSA-N -1 0 390.783 4.111 20 5 GIBDRM O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063586739 823681378 /nfs/dbraw/zinc/68/13/78/823681378.db2.gz NOAJCDSJMZLDQZ-ZDUSSCGKSA-N -1 0 395.440 4.282 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879265 823704829 /nfs/dbraw/zinc/70/48/29/823704829.db2.gz IKBXLZSCEZPDAS-UHFFFAOYSA-N -1 0 389.458 4.191 20 5 GIBDRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164348629 823797375 /nfs/dbraw/zinc/79/73/75/823797375.db2.gz YMBGEPFSKHYOJY-LLVKDONJSA-N -1 0 383.429 4.223 20 5 GIBDRM COc1ccc(-c2cc3[n-]c(-c4ccc([N+](=O)[O-])s4)nc(=O)c3s2)cc1 ZINC000165067720 823832603 /nfs/dbraw/zinc/83/26/03/823832603.db2.gz RKTPQJBJQMXLLP-UHFFFAOYSA-N -1 0 385.426 4.297 20 5 GIBDRM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000024101387 207287684 /nfs/dbraw/zinc/28/76/84/207287684.db2.gz RMWFDFJTWOFBQR-UHFFFAOYSA-N -1 0 383.429 4.448 20 5 GIBDRM CSc1cccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1[N+](=O)[O-] ZINC000188302912 823216738 /nfs/dbraw/zinc/21/67/38/823216738.db2.gz QLMYRRKNAJPHAH-UHFFFAOYSA-N -1 0 397.250 4.346 20 5 GIBDRM O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000011600197 818098581 /nfs/dbraw/zinc/09/85/81/818098581.db2.gz WSRRMBZGQHPHNH-UHFFFAOYSA-N -1 0 381.413 4.240 20 5 GIBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000176966611 823337073 /nfs/dbraw/zinc/33/70/73/823337073.db2.gz BFBOOJVAEBFGPD-UHFFFAOYSA-N -1 0 388.367 4.199 20 5 GIBDRM CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000022977941 818882495 /nfs/dbraw/zinc/88/24/95/818882495.db2.gz MWDCMIIGWFKFFV-ZDUSSCGKSA-N -1 0 393.465 4.005 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1C ZINC000410402932 823488016 /nfs/dbraw/zinc/48/80/16/823488016.db2.gz QQNXMQFMORNVDI-UHFFFAOYSA-N -1 0 377.466 4.223 20 5 GIBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000410405469 823488622 /nfs/dbraw/zinc/48/86/22/823488622.db2.gz QTFNOEFHXGJNLE-UHFFFAOYSA-N -1 0 391.232 4.101 20 5 GIBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000410405921 823488976 /nfs/dbraw/zinc/48/89/76/823488976.db2.gz KLJQHTQXFBDCII-UHFFFAOYSA-N -1 0 397.261 4.163 20 5 GIBDRM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)cs1 ZINC000030706730 820668380 /nfs/dbraw/zinc/66/83/80/820668380.db2.gz OTOAKOAFIWURCM-LLVKDONJSA-N -1 0 383.429 4.223 20 5 GIBDRM COc1cc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc([N+](=O)[O-])c1[O-] ZINC000177618629 823502520 /nfs/dbraw/zinc/50/25/20/823502520.db2.gz SGVKIKIXKOGXSY-WMZJFQQLSA-N -1 0 391.723 4.095 20 5 GIBDRM COc1cc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)ccc1OCCC(=O)[O-] ZINC000460766042 823506859 /nfs/dbraw/zinc/50/68/59/823506859.db2.gz BLENGPCROBRGCC-FNORWQNLSA-N -1 0 394.383 4.176 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000032595218 820975296 /nfs/dbraw/zinc/97/52/96/820975296.db2.gz VDJGFXZLYOZKNR-UHFFFAOYSA-N -1 0 389.433 4.143 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C ZINC000060443571 823528327 /nfs/dbraw/zinc/52/83/27/823528327.db2.gz XDMVLYLINYMMGO-UHFFFAOYSA-N -1 0 378.450 4.108 20 5 GIBDRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180778731 821451678 /nfs/dbraw/zinc/45/16/78/821451678.db2.gz NISUSDLOWKXPAC-UHFFFAOYSA-N -1 0 393.808 4.160 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1Br ZINC000180781582 821454592 /nfs/dbraw/zinc/45/45/92/821454592.db2.gz SYPUPFQEIUPOCA-UHFFFAOYSA-N -1 0 389.564 4.108 20 5 GIBDRM O=C(Nc1ncn(C2CCCCC2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182710003 822356550 /nfs/dbraw/zinc/35/65/50/822356550.db2.gz RFLSRXBNLHFVSO-UHFFFAOYSA-N -1 0 398.448 4.067 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC000186066629 822848907 /nfs/dbraw/zinc/84/89/07/822848907.db2.gz ZBASPNBSLCSXDL-UHFFFAOYSA-N -1 0 398.806 4.269 20 5 GIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1[N+](=O)[O-] ZINC000570259166 823020432 /nfs/dbraw/zinc/02/04/32/823020432.db2.gz AKVWNQTXUHUQTM-UHFFFAOYSA-N -1 0 378.450 4.108 20 5 GIBDRM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124916322 823636745 /nfs/dbraw/zinc/63/67/45/823636745.db2.gz QIGAGNKWXMLCLK-UHFFFAOYSA-N -1 0 389.820 4.259 20 5 GIBDRM Cc1cc(CSc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000124932178 823638183 /nfs/dbraw/zinc/63/81/83/823638183.db2.gz ZQIOOIKYWXYECG-UHFFFAOYSA-N -1 0 385.401 4.141 20 5 GIBDRM CCCCc1ccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000063911424 823710112 /nfs/dbraw/zinc/71/01/12/823710112.db2.gz LOPGQDQIURKRNR-UHFFFAOYSA-N -1 0 397.503 4.409 20 5 GIBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nn1C1CCCCC1 ZINC000574372515 823711891 /nfs/dbraw/zinc/71/18/91/823711891.db2.gz CJXIOZBRRVGOGX-UHFFFAOYSA-N -1 0 392.481 4.023 20 5 GIBDRM CSc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000011432246 818081177 /nfs/dbraw/zinc/08/11/77/818081177.db2.gz RXLYLVGJTAAEEK-UHFFFAOYSA-N -1 0 387.442 4.398 20 5 GIBDRM CSc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2s1 ZINC000016153959 818398487 /nfs/dbraw/zinc/39/84/87/818398487.db2.gz UGUZXQMSRDUUQV-UHFFFAOYSA-N -1 0 395.487 4.036 20 5 GIBDRM CCCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000023380603 818930425 /nfs/dbraw/zinc/93/04/25/818930425.db2.gz KUKCOTLWTMVOLA-UHFFFAOYSA-N -1 0 393.465 4.006 20 5 GIBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000410424475 823493695 /nfs/dbraw/zinc/49/36/95/823493695.db2.gz SLIRIMNCNMMBBW-UHFFFAOYSA-N -1 0 379.196 4.150 20 5 GIBDRM COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OCCC(=O)[O-] ZINC000460771139 823508027 /nfs/dbraw/zinc/50/80/27/823508027.db2.gz NNZOBEDVOVQUJO-VMPITWQZSA-N -1 0 394.383 4.176 20 5 GIBDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181540092 821873511 /nfs/dbraw/zinc/87/35/11/821873511.db2.gz VYEKUOHHEVBVPI-UHFFFAOYSA-N -1 0 386.795 4.009 20 5 GIBDRM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000182907329 822390489 /nfs/dbraw/zinc/39/04/89/822390489.db2.gz VKXQPUMLCLQZPY-UHFFFAOYSA-N -1 0 385.601 4.277 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1C ZINC000180210660 822640056 /nfs/dbraw/zinc/64/00/56/822640056.db2.gz LYTZGKLFBUFNBE-UHFFFAOYSA-N -1 0 390.248 4.023 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000185097264 822736594 /nfs/dbraw/zinc/73/65/94/822736594.db2.gz MCUCPUFZJMEUDQ-UHFFFAOYSA-N -1 0 389.411 4.167 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000574492845 823747252 /nfs/dbraw/zinc/74/72/52/823747252.db2.gz HDKHRXIPAYNOEV-UHFFFAOYSA-N -1 0 375.233 4.265 20 5 GIBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000574812300 823833566 /nfs/dbraw/zinc/83/35/66/823833566.db2.gz QOODNASGENUHTF-UHFFFAOYSA-N -1 0 396.871 4.155 20 5 GIBDRM CC(C)c1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c2cnn(C(C)C)c2n1 ZINC000166174606 823871875 /nfs/dbraw/zinc/87/18/75/823871875.db2.gz ZUMZXSYTCFCSPD-UHFFFAOYSA-N -1 0 383.408 4.002 20 5 GIBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000571008327 823119200 /nfs/dbraw/zinc/11/92/00/823119200.db2.gz ARJIUSKOQAZFII-QAPCUYQASA-N -1 0 399.447 4.212 20 5 GIBDRM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000571786400 823234348 /nfs/dbraw/zinc/23/43/48/823234348.db2.gz ACAPAOQTMCYXTP-LLVKDONJSA-N -1 0 382.338 4.022 20 5 GIBDRM Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000024098353 819023297 /nfs/dbraw/zinc/02/32/97/819023297.db2.gz WMVZLBXZJDTLRX-FQEVSTJZSA-N -1 0 375.384 4.380 20 5 GIBDRM Cc1sc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000410423747 823493271 /nfs/dbraw/zinc/49/32/71/823493271.db2.gz PSSXSGDYGMMEAY-UHFFFAOYSA-N -1 0 385.225 4.211 20 5 GIBDRM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031469288 820815014 /nfs/dbraw/zinc/81/50/14/820815014.db2.gz MYXFSVQUPFKQGT-UHFFFAOYSA-N -1 0 399.790 4.180 20 5 GIBDRM O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180778706 821451761 /nfs/dbraw/zinc/45/17/61/821451761.db2.gz HJRYLRXFWCNWDB-UHFFFAOYSA-N -1 0 387.779 4.180 20 5 GIBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000178173965 822341564 /nfs/dbraw/zinc/34/15/64/822341564.db2.gz VSMQSJBJDIHLSU-DIFFPNOSSA-N -1 0 384.413 4.001 20 5 GIBDRM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183905724 822543757 /nfs/dbraw/zinc/54/37/57/822543757.db2.gz RILPYPYOCOQVPN-UHFFFAOYSA-N -1 0 387.779 4.180 20 5 GIBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2[N+](=O)[O-])C1 ZINC000569480872 822928196 /nfs/dbraw/zinc/92/81/96/822928196.db2.gz OPHXDABBVVDVBT-ZIAGYGMSSA-N -1 0 397.431 4.028 20 5 GIBDRM CC(=O)c1cc(F)c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(F)c1F ZINC000461091646 823574985 /nfs/dbraw/zinc/57/49/85/823574985.db2.gz DEFULRAWIDKCFX-UHFFFAOYSA-N -1 0 378.262 4.213 20 5 GIBDRM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124914168 823636365 /nfs/dbraw/zinc/63/63/65/823636365.db2.gz IGEPHWNCDUTTPQ-UHFFFAOYSA-N -1 0 399.428 4.450 20 5 GIBDRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191648076 823723586 /nfs/dbraw/zinc/72/35/86/823723586.db2.gz KLCPFZPMMLQUKK-NSHDSACASA-N -1 0 391.449 4.015 20 5 GIBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)ccc1Cl ZINC000175971809 823085481 /nfs/dbraw/zinc/08/54/81/823085481.db2.gz BPLYAQWMNGCTIA-UHFFFAOYSA-N -1 0 393.808 4.068 20 5 GIBDRM O=C([O-])C1(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCCCC1 ZINC000013469559 818213254 /nfs/dbraw/zinc/21/32/54/818213254.db2.gz JDUHRAMMRUUEQO-UHFFFAOYSA-N -1 0 399.241 4.111 20 5 GIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1[N+](=O)[O-] ZINC000189300822 823390321 /nfs/dbraw/zinc/39/03/21/823390321.db2.gz IKERMUWXSZTGHZ-UHFFFAOYSA-N -1 0 388.367 4.117 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C ZINC000060443504 823528377 /nfs/dbraw/zinc/52/83/77/823528377.db2.gz VNZBRRKUSSDRNI-UHFFFAOYSA-N -1 0 389.458 4.136 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1C ZINC000060442789 823528456 /nfs/dbraw/zinc/52/84/56/823528456.db2.gz QEHQNNPSFKCIGU-UHFFFAOYSA-N -1 0 387.417 4.031 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000060471639 823531719 /nfs/dbraw/zinc/53/17/19/823531719.db2.gz VNEQDWUBEBIEHL-UHFFFAOYSA-N -1 0 376.412 4.473 20 5 GIBDRM O=c1nc(-c2ccc([N+](=O)[O-])cc2)[n-]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000053854793 822851074 /nfs/dbraw/zinc/85/10/74/822851074.db2.gz SYXPBGWSRDBIQY-UHFFFAOYSA-N -1 0 393.380 4.368 20 5 GIBDRM Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cn2)c1 ZINC000060691267 823553089 /nfs/dbraw/zinc/55/30/89/823553089.db2.gz CIITYWGFXYPOAA-UHFFFAOYSA-N -1 0 393.399 4.035 20 5 GIBDRM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000461117814 823580852 /nfs/dbraw/zinc/58/08/52/823580852.db2.gz APDRDHQPMSRVSS-UHFFFAOYSA-N -1 0 398.868 4.182 20 5 GIBDRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000191271108 823665862 /nfs/dbraw/zinc/66/58/62/823665862.db2.gz LGZOOUGIXUJTBY-UHFFFAOYSA-N -1 0 392.477 4.480 20 5 GIBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1C ZINC000163848935 823754117 /nfs/dbraw/zinc/75/41/17/823754117.db2.gz HDCNAGTUUQDUHN-UHFFFAOYSA-N -1 0 388.367 4.117 20 5 GIBDRM CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000574982395 823879148 /nfs/dbraw/zinc/87/91/48/823879148.db2.gz BRVABGFRKTVHFJ-CQSZACIVSA-N -1 0 398.202 4.191 20 5 GIBDRM CCCC[C@@H](Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C(=O)[O-] ZINC000571821390 823239778 /nfs/dbraw/zinc/23/97/78/823239778.db2.gz SFVNJALMPPZCEA-MRVPVSSYSA-N -1 0 388.314 4.379 20 5 GIBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1C ZINC000015248304 818302798 /nfs/dbraw/zinc/30/27/98/818302798.db2.gz QUSSDSSKUQAFMG-UHFFFAOYSA-N -1 0 388.417 4.327 20 5 GIBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000024838980 819882391 /nfs/dbraw/zinc/88/23/91/819882391.db2.gz XLVAYLNRHBSIBI-UHFFFAOYSA-N -1 0 390.442 4.133 20 5 GIBDRM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029924570 820549499 /nfs/dbraw/zinc/54/94/99/820549499.db2.gz WDDSXAKVKIYAAT-IBGZPJMESA-N -1 0 382.803 4.473 20 5 GIBDRM CCCn1ccc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21 ZINC000460824297 823522844 /nfs/dbraw/zinc/52/28/44/823522844.db2.gz NMLAVSNLEAHFCS-UHFFFAOYSA-N -1 0 393.852 4.414 20 5 GIBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000178248156 822358352 /nfs/dbraw/zinc/35/83/52/822358352.db2.gz LJDGTWKFYBTEHU-UHFFFAOYSA-N -1 0 388.685 4.218 20 5 GIBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2[N+](=O)[O-])C1 ZINC000569480865 822927915 /nfs/dbraw/zinc/92/79/15/822927915.db2.gz OPHXDABBVVDVBT-KBPBESRZSA-N -1 0 397.431 4.028 20 5 GIBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000175776846 823037760 /nfs/dbraw/zinc/03/77/60/823037760.db2.gz NYPQRMNPHNITJC-UHFFFAOYSA-N -1 0 392.330 4.030 20 5 GIBDRM COCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])sc2cccc(F)c21 ZINC000124968475 823641356 /nfs/dbraw/zinc/64/13/56/823641356.db2.gz LZLDIXHIRBCFLG-UHFFFAOYSA-N -1 0 376.365 4.053 20 5 GIBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000575096879 823911269 /nfs/dbraw/zinc/91/12/69/823911269.db2.gz HUPQMFDVEKHSDY-UHFFFAOYSA-N -1 0 397.623 4.061 20 5 GIBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414383346 823970515 /nfs/dbraw/zinc/97/05/15/823970515.db2.gz RALPHGPDXYBPHB-UHFFFAOYSA-N -1 0 392.481 4.023 20 5 GIBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000016101101 209173457 /nfs/dbraw/zinc/17/34/57/209173457.db2.gz GFYYRRMBHGSGER-UHFFFAOYSA-N -1 0 380.731 4.068 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000571847717 823244751 /nfs/dbraw/zinc/24/47/51/823244751.db2.gz JNSCWPQNUQITST-UHFFFAOYSA-N -1 0 375.233 4.265 20 5 GIBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000058190658 823367836 /nfs/dbraw/zinc/36/78/36/823367836.db2.gz IFOIOULRHUPIFE-UHFFFAOYSA-N -1 0 381.624 4.356 20 5 GIBDRM CCc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)CC)c2C2CC2)cc1[N+](=O)[O-] ZINC000572762728 823394529 /nfs/dbraw/zinc/39/45/29/823394529.db2.gz CKZXAEHAFLFCHA-GFCCVEGCSA-N -1 0 392.481 4.003 20 5 GIBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)o1 ZINC000029433144 820454352 /nfs/dbraw/zinc/45/43/52/820454352.db2.gz QCCUQMUJRXSSKK-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM CC(C)(C)c1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n1 ZINC000182007268 822060135 /nfs/dbraw/zinc/06/01/35/822060135.db2.gz QLSAGHRUXJFKQQ-UHFFFAOYSA-N -1 0 389.477 4.074 20 5 GIBDRM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185366355 822772867 /nfs/dbraw/zinc/77/28/67/822772867.db2.gz HRJMGNXRCZFBRR-UHFFFAOYSA-N -1 0 391.383 4.113 20 5 GIBDRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000569178411 822889282 /nfs/dbraw/zinc/88/92/82/822889282.db2.gz VSEOZEVAIVPAGP-UHFFFAOYSA-N -1 0 390.845 4.300 20 5 GIBDRM CCOc1ccc(-c2nc(CC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cs2)cc1 ZINC000124914475 823636633 /nfs/dbraw/zinc/63/66/33/823636633.db2.gz DULFLWOOPJCXMO-UHFFFAOYSA-N -1 0 399.428 4.004 20 5 GIBDRM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124953752 823640036 /nfs/dbraw/zinc/64/00/36/823640036.db2.gz LSFXMDWKQCILAV-UHFFFAOYSA-N -1 0 387.820 4.008 20 5 GIBDRM COc1cc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C ZINC000570961833 823112554 /nfs/dbraw/zinc/11/25/54/823112554.db2.gz RYAFXYOGJALNMN-UHFFFAOYSA-N -1 0 391.232 4.019 20 5 GIBDRM O=C([O-])c1cc(C(=O)Nc2ccccc2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000013255481 818207760 /nfs/dbraw/zinc/20/77/60/818207760.db2.gz GWIKIOCLIALDQF-UHFFFAOYSA-N -1 0 376.368 4.136 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1C ZINC000060436889 823527558 /nfs/dbraw/zinc/52/75/58/823527558.db2.gz CHBWMYMYPZDSLW-UHFFFAOYSA-N -1 0 389.477 4.003 20 5 GIBDRM O=C(Cc1csc(-c2cccs2)n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180781608 821454762 /nfs/dbraw/zinc/45/47/62/821454762.db2.gz FRSIZSQUYNTLNC-UHFFFAOYSA-N -1 0 395.849 4.320 20 5 GIBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000180161615 822629772 /nfs/dbraw/zinc/62/97/72/822629772.db2.gz YRNYQFZQALYYQG-UHFFFAOYSA-N -1 0 375.233 4.319 20 5 GIBDRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175099690 822882113 /nfs/dbraw/zinc/88/21/13/822882113.db2.gz CCMUHEOYGQWKNP-UHFFFAOYSA-N -1 0 391.208 4.052 20 5 GIBDRM Cc1csc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1Br ZINC000190999125 823636650 /nfs/dbraw/zinc/63/66/50/823636650.db2.gz XKHCZFAIEHBKHG-UHFFFAOYSA-N -1 0 391.630 4.339 20 5 GIBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000191957414 823824281 /nfs/dbraw/zinc/82/42/81/823824281.db2.gz LYCHULVAEQGUCC-KRWDZBQOSA-N -1 0 392.415 4.058 20 5 GIBDRM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166077221 823868886 /nfs/dbraw/zinc/86/88/86/823868886.db2.gz RZXYTTFFRZRMNW-UHFFFAOYSA-N -1 0 387.779 4.180 20 5 GIBDRM Cc1cc(N[C@H](C)c2nc(C(F)(F)F)cs2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570687161 823071900 /nfs/dbraw/zinc/07/19/00/823071900.db2.gz UDONZPUQIJFDSR-SSDOTTSWSA-N -1 0 375.328 4.250 20 5 GIBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000571526054 823195801 /nfs/dbraw/zinc/19/58/01/823195801.db2.gz XJJYLNATUQKIMZ-OAHLLOKOSA-N -1 0 375.812 4.106 20 5 GIBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl ZINC000007428285 817838519 /nfs/dbraw/zinc/83/85/19/817838519.db2.gz WOMDPYLBRVOYHY-UHFFFAOYSA-N -1 0 380.731 4.068 20 5 GIBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1F ZINC000016130111 818395766 /nfs/dbraw/zinc/39/57/66/818395766.db2.gz RRKZJUYPASBBSX-UHFFFAOYSA-N -1 0 398.721 4.207 20 5 GIBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1Cl ZINC000020627267 818627907 /nfs/dbraw/zinc/62/79/07/818627907.db2.gz YLKCCSTUKNUKGN-UHFFFAOYSA-N -1 0 387.653 4.417 20 5 GIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1 ZINC000022408392 818802580 /nfs/dbraw/zinc/80/25/80/818802580.db2.gz QTAWRXMIYLKMOM-UHFFFAOYSA-N -1 0 392.380 4.050 20 5 GIBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000028259892 820321411 /nfs/dbraw/zinc/32/14/11/820321411.db2.gz BLVIGTWFYVZILS-UHFFFAOYSA-N -1 0 376.434 4.025 20 5 GIBDRM CC(C)(C)c1ccc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)cc1[N+](=O)[O-] ZINC000410391411 823484267 /nfs/dbraw/zinc/48/42/67/823484267.db2.gz HMFHZICJPYQQPG-UHFFFAOYSA-N -1 0 396.472 4.009 20 5 GIBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000032094423 820896188 /nfs/dbraw/zinc/89/61/88/820896188.db2.gz LQIBMCFTUGJAFR-UHFFFAOYSA-N -1 0 378.475 4.430 20 5 GIBDRM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)c1 ZINC000460834802 823525358 /nfs/dbraw/zinc/52/53/58/823525358.db2.gz WHYGSBUDFDQXOK-UHFFFAOYSA-N -1 0 399.428 4.200 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1NCc1cccnc1 ZINC000180785171 821456699 /nfs/dbraw/zinc/45/66/99/821456699.db2.gz XQVAZNBOUIOTIT-UHFFFAOYSA-N -1 0 398.806 4.213 20 5 GIBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000182140873 822113340 /nfs/dbraw/zinc/11/33/40/822113340.db2.gz BDNRNWFLXKMBDC-UHFFFAOYSA-N -1 0 392.864 4.351 20 5 GIBDRM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183621753 822502552 /nfs/dbraw/zinc/50/25/52/822502552.db2.gz GZTXXNIRZPOZTR-UHFFFAOYSA-N -1 0 390.701 4.147 20 5 GIBDRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183915074 822545380 /nfs/dbraw/zinc/54/53/80/822545380.db2.gz BEVUDVFNZVDWCD-UHFFFAOYSA-N -1 0 387.392 4.048 20 5 GIBDRM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)on1 ZINC000184081835 822575158 /nfs/dbraw/zinc/57/51/58/822575158.db2.gz ONMDSEITHISWME-UHFFFAOYSA-N -1 0 377.403 4.056 20 5 GIBDRM Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1Br ZINC000180161702 822629802 /nfs/dbraw/zinc/62/98/02/822629802.db2.gz AIAUXZLEWIFXCM-UHFFFAOYSA-N -1 0 399.266 4.083 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1C(F)(F)F ZINC000186035678 822845888 /nfs/dbraw/zinc/84/58/88/822845888.db2.gz NGFARKOBORLJSD-UHFFFAOYSA-N -1 0 378.665 4.364 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461106796 823578613 /nfs/dbraw/zinc/57/86/13/823578613.db2.gz KBMPICUZBNNKNV-UHFFFAOYSA-N -1 0 380.369 4.093 20 5 GIBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000163594639 823726607 /nfs/dbraw/zinc/72/66/07/823726607.db2.gz IVFZNQHOBZNXLR-UHFFFAOYSA-N -1 0 394.206 4.040 20 5 GIBDRM CC(C)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462332906 823928221 /nfs/dbraw/zinc/92/82/21/823928221.db2.gz OTGLHSPCVKSNHL-UHFFFAOYSA-N -1 0 395.289 4.177 20 5 GIBDRM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC000065069719 823935072 /nfs/dbraw/zinc/93/50/72/823935072.db2.gz QVYROYHEGNUNPL-UHFFFAOYSA-N -1 0 379.463 4.068 20 5 GIBDRM C[C@](CNC(=O)c1cc2ccccc2c2cccnc12)(C(=O)[O-])c1ccccc1 ZINC000575495467 823974341 /nfs/dbraw/zinc/97/43/41/823974341.db2.gz MWZAIIZLLDYZGA-XMMPIXPASA-N -1 0 384.435 4.160 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000570867315 823099102 /nfs/dbraw/zinc/09/91/02/823099102.db2.gz WZNSFFKITCOUCU-UHFFFAOYSA-N -1 0 392.330 4.116 20 5 GIBDRM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])s2)cc1 ZINC000176230353 823158487 /nfs/dbraw/zinc/15/84/87/823158487.db2.gz JGEZBBQZIONVCO-UHFFFAOYSA-N -1 0 386.408 4.045 20 5 GIBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461345108 823621150 /nfs/dbraw/zinc/62/11/50/823621150.db2.gz YQIMBAPIQRCOEQ-UHFFFAOYSA-N -1 0 380.369 4.093 20 5 GIBDRM O=C([O-])/C=C/c1ccc(NCc2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000013272612 818208283 /nfs/dbraw/zinc/20/82/83/818208283.db2.gz DBVQWGGUOXBTGQ-SOFGYWHQSA-N -1 0 382.294 4.203 20 5 GIBDRM O=C([O-])/C=C/c1ccc(NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000013462119 818212862 /nfs/dbraw/zinc/21/28/62/818212862.db2.gz YNDWHCPOJWEWGX-XBXARRHUSA-N -1 0 382.294 4.203 20 5 GIBDRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000410401604 823487488 /nfs/dbraw/zinc/48/74/88/823487488.db2.gz NFBQVYDGGVMEBD-UHFFFAOYSA-N -1 0 383.857 4.259 20 5 GIBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cccc1C(=O)Nc1ccccc1 ZINC000181945495 822042035 /nfs/dbraw/zinc/04/20/35/822042035.db2.gz QLLYZIYVBUAHQF-UHFFFAOYSA-N -1 0 391.383 4.113 20 5 GIBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000179646845 822519044 /nfs/dbraw/zinc/51/90/44/822519044.db2.gz ZFJPTZQDYCDSDG-UHFFFAOYSA-N -1 0 375.595 4.442 20 5 GIBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)o1 ZINC000055582413 822981932 /nfs/dbraw/zinc/98/19/32/822981932.db2.gz PBPCAEVCSGJAET-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)sc2c1 ZINC000060934502 823567779 /nfs/dbraw/zinc/56/77/79/823567779.db2.gz ZSZCYEXGJKOVQE-UHFFFAOYSA-N -1 0 397.865 4.276 20 5 GIBDRM O=C([O-])c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc2s1 ZINC000190900126 823621765 /nfs/dbraw/zinc/62/17/65/823621765.db2.gz BAUUUZRTKSXMKU-UHFFFAOYSA-N -1 0 393.380 4.308 20 5 GIBDRM O=C([O-])c1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc([N+](=O)[O-])c1 ZINC000191578256 823703479 /nfs/dbraw/zinc/70/34/79/823703479.db2.gz CNDPPTDWSOHJRU-UHFFFAOYSA-N -1 0 383.385 4.032 20 5 GIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c2cccnc21 ZINC000462369968 823945161 /nfs/dbraw/zinc/94/51/61/823945161.db2.gz OUJYGWDZWSTWFJ-UHFFFAOYSA-N -1 0 379.397 4.097 20 5 GIBDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000126824157 823960004 /nfs/dbraw/zinc/96/00/04/823960004.db2.gz HDVPYZRPQKUVAK-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000571008329 823119197 /nfs/dbraw/zinc/11/91/97/823119197.db2.gz ARJIUSKOQAZFII-YJBOKZPZSA-N -1 0 399.447 4.212 20 5 GIBDRM CCCC[C@H](Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C(=O)[O-] ZINC000571821391 823239772 /nfs/dbraw/zinc/23/97/72/823239772.db2.gz SFVNJALMPPZCEA-QMMMGPOBSA-N -1 0 388.314 4.379 20 5 GIBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(Cl)c1 ZINC000409873803 823332440 /nfs/dbraw/zinc/33/24/40/823332440.db2.gz ZRXWHMXQLSZISZ-UHFFFAOYSA-N -1 0 396.852 4.370 20 5 GIBDRM Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000021360277 818680429 /nfs/dbraw/zinc/68/04/29/818680429.db2.gz IMDBHVSGHHDVPS-NRFANRHFSA-N -1 0 389.411 4.376 20 5 GIBDRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572506464 823351167 /nfs/dbraw/zinc/35/11/67/823351167.db2.gz UXVWTMLEMGRJOI-UHFFFAOYSA-N -1 0 393.186 4.045 20 5 GIBDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000030532160 820633355 /nfs/dbraw/zinc/63/33/55/820633355.db2.gz LEFQLPVJVPZSDS-UHFFFAOYSA-N -1 0 384.841 4.084 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000059773415 823498335 /nfs/dbraw/zinc/49/83/35/823498335.db2.gz AOBLYIWHGRVVDU-UHFFFAOYSA-N -1 0 376.434 4.025 20 5 GIBDRM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180783093 821455284 /nfs/dbraw/zinc/45/52/84/821455284.db2.gz HWPLZHLQYXUQMC-UHFFFAOYSA-N -1 0 387.779 4.098 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(F)ccc1Br ZINC000180784348 821455909 /nfs/dbraw/zinc/45/59/09/821455909.db2.gz YGDADAAQONFLBQ-UHFFFAOYSA-N -1 0 389.564 4.108 20 5 GIBDRM O=C([O-])CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000178100424 822318997 /nfs/dbraw/zinc/31/89/97/822318997.db2.gz XHOSELBUOGALRS-HNNXBMFYSA-N -1 0 384.413 4.145 20 5 GIBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000178173989 822342184 /nfs/dbraw/zinc/34/21/84/822342184.db2.gz VSMQSJBJDIHLSU-PIGZYNQJSA-N -1 0 384.413 4.001 20 5 GIBDRM O=C([O-])CCCCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000455836579 822734297 /nfs/dbraw/zinc/73/42/97/822734297.db2.gz UJHLMACWMJHQOY-UHFFFAOYSA-N -1 0 388.445 4.121 20 5 GIBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000568971414 822866518 /nfs/dbraw/zinc/86/65/18/822866518.db2.gz PYFCCMVYTXNJMP-UHFFFAOYSA-N -1 0 398.872 4.059 20 5 GIBDRM Cc1cc(F)cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1[N+](=O)[O-] ZINC000175735690 823029206 /nfs/dbraw/zinc/02/92/06/823029206.db2.gz WUUBUBQRARFIBR-UHFFFAOYSA-N -1 0 392.799 4.467 20 5 GIBDRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166167293 823870953 /nfs/dbraw/zinc/87/09/53/823870953.db2.gz UDXQRBDBWRSCTN-UHFFFAOYSA-N -1 0 395.849 4.320 20 5 GIBDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)n1 ZINC000126823222 823959534 /nfs/dbraw/zinc/95/95/34/823959534.db2.gz OUOKSOYNOBGOIN-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000005511735 220877928 /nfs/dbraw/zinc/87/79/28/220877928.db2.gz TUKHNQKUGZOKAM-UHFFFAOYSA-N -1 0 381.624 4.356 20 5 GIBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1Cl ZINC000007428295 817838286 /nfs/dbraw/zinc/83/82/86/817838286.db2.gz LSSDUKHJXYXNSS-UHFFFAOYSA-N -1 0 381.624 4.356 20 5 GIBDRM COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000024034841 819012241 /nfs/dbraw/zinc/01/22/41/819012241.db2.gz ZRFBWQLHQXLVFG-HXUWFJFHSA-N -1 0 391.383 4.080 20 5 GIBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032143740 820899476 /nfs/dbraw/zinc/89/94/76/820899476.db2.gz KQUBCRWPCRCOLE-UHFFFAOYSA-N -1 0 384.413 4.071 20 5 GIBDRM O=c1nc(Cc2ccc([N+](=O)[O-])cn2)[n-]c2cc(-c3cccc(Cl)c3)sc21 ZINC000182339615 822208094 /nfs/dbraw/zinc/20/80/94/822208094.db2.gz OZVLHWGAARUTNP-UHFFFAOYSA-N -1 0 398.831 4.199 20 5 GIBDRM Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000182927708 822394469 /nfs/dbraw/zinc/39/44/69/822394469.db2.gz HGIXLIZBHLVVRB-UHFFFAOYSA-N -1 0 390.193 4.105 20 5 GIBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000574540109 823759468 /nfs/dbraw/zinc/75/94/68/823759468.db2.gz ITYRHKHTHVWPMJ-GHMZBOCLSA-N -1 0 382.338 4.241 20 5 GIBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1C ZINC000163944917 823763738 /nfs/dbraw/zinc/76/37/38/823763738.db2.gz WDDGXUOEQYIDJY-UHFFFAOYSA-N -1 0 387.417 4.031 20 5 GIBDRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1ncco1 ZINC000164731741 823817651 /nfs/dbraw/zinc/81/76/51/823817651.db2.gz MQCPRJQFKZKBOX-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM Cc1ccc(-c2nnc([N-]C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])s2)c(C)c1 ZINC000126666152 823922177 /nfs/dbraw/zinc/92/21/77/823922177.db2.gz MTPOGMMPNZODJO-UHFFFAOYSA-N -1 0 386.408 4.430 20 5 GIBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000575769951 823989719 /nfs/dbraw/zinc/98/97/19/823989719.db2.gz SDARKQDVKGKOLW-HNNXBMFYSA-N -1 0 392.411 4.370 20 5 GIBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571023481 823121636 /nfs/dbraw/zinc/12/16/36/823121636.db2.gz REOIMWPKLNKFHX-LRDDRELGSA-N -1 0 395.843 4.136 20 5 GIBDRM O=C([O-])c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000013255353 818207920 /nfs/dbraw/zinc/20/79/20/818207920.db2.gz PLSBFQHUOGFNQP-UHFFFAOYSA-N -1 0 388.685 4.218 20 5 GIBDRM CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000022977938 818882603 /nfs/dbraw/zinc/88/26/03/818882603.db2.gz MWDCMIIGWFKFFV-CYBMUJFWSA-N -1 0 393.465 4.005 20 5 GIBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000024345614 819048663 /nfs/dbraw/zinc/04/86/63/819048663.db2.gz UXRHVHCZLTXEES-UHFFFAOYSA-N -1 0 392.380 4.050 20 5 GIBDRM COc1ccc(N(CC2CC2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000572725236 823389349 /nfs/dbraw/zinc/38/93/49/823389349.db2.gz DDGPWSGRPAQPQE-UHFFFAOYSA-N -1 0 376.796 4.019 20 5 GIBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000572756114 823393624 /nfs/dbraw/zinc/39/36/24/823393624.db2.gz RAHWZYUOHADWQQ-UHFFFAOYSA-N -1 0 392.481 4.023 20 5 GIBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000026548216 820112530 /nfs/dbraw/zinc/11/25/30/820112530.db2.gz UZGSMIIRZJZBOL-UHFFFAOYSA-N -1 0 399.428 4.236 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189681669 823474387 /nfs/dbraw/zinc/47/43/87/823474387.db2.gz UFIOSXISSIQBAC-SFHVURJKSA-N -1 0 392.415 4.058 20 5 GIBDRM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029924573 820549294 /nfs/dbraw/zinc/54/92/94/820549294.db2.gz WDDSXAKVKIYAAT-LJQANCHMSA-N -1 0 382.803 4.473 20 5 GIBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000189796032 823495993 /nfs/dbraw/zinc/49/59/93/823495993.db2.gz GXCYFYSWQNPRJW-UHFFFAOYSA-N -1 0 384.285 4.129 20 5 GIBDRM COc1cc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)ccc1OCCC(=O)[O-] ZINC000460766041 823506857 /nfs/dbraw/zinc/50/68/57/823506857.db2.gz BLENGPCROBRGCC-ALCCZGGFSA-N -1 0 394.383 4.176 20 5 GIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000033699898 821059278 /nfs/dbraw/zinc/05/92/78/821059278.db2.gz UCZLDVMNTAYAOY-UHFFFAOYSA-N -1 0 380.731 4.068 20 5 GIBDRM C[C@](NC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000569182454 822889751 /nfs/dbraw/zinc/88/97/51/822889751.db2.gz YFRCMCVQYLFOIW-MRXNPFEDSA-N -1 0 398.202 4.023 20 5 GIBDRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000191275815 823666418 /nfs/dbraw/zinc/66/64/18/823666418.db2.gz HTLNYSSELPTKBJ-UHFFFAOYSA-N -1 0 392.477 4.480 20 5 GIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1[N+](=O)[O-] ZINC000576038312 824055848 /nfs/dbraw/zinc/05/58/48/824055848.db2.gz MVIXBRGQIONSEU-UHFFFAOYSA-N -1 0 383.429 4.074 20 5 GIBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571023483 823121632 /nfs/dbraw/zinc/12/16/32/823121632.db2.gz REOIMWPKLNKFHX-WBMJQRKESA-N -1 0 395.843 4.136 20 5 GIBDRM CCOc1cc2c(cc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000013212311 818206186 /nfs/dbraw/zinc/20/61/86/818206186.db2.gz MSJVVJBUTXTVRQ-IYNGYCSASA-N -1 0 398.415 4.027 20 5 GIBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc2c(ccc3ccccc23)s1 ZINC000016154034 818398229 /nfs/dbraw/zinc/39/82/29/818398229.db2.gz XTWYVQAYZDSACP-UHFFFAOYSA-N -1 0 385.426 4.159 20 5 GIBDRM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000024034839 819012198 /nfs/dbraw/zinc/01/21/98/819012198.db2.gz ZRFBWQLHQXLVFG-FQEVSTJZSA-N -1 0 391.383 4.080 20 5 GIBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000410403675 823488136 /nfs/dbraw/zinc/48/81/36/823488136.db2.gz MHBAWEKSNORGTA-UHFFFAOYSA-N -1 0 391.232 4.101 20 5 GIBDRM C[C@@H](Oc1cccc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)c1)C(=O)[O-] ZINC000177617944 823502375 /nfs/dbraw/zinc/50/23/75/823502375.db2.gz MGGRPWBLVMMDLU-DOQDJBIESA-N -1 0 388.763 4.325 20 5 GIBDRM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C)c1 ZINC000060443678 823528414 /nfs/dbraw/zinc/52/84/14/823528414.db2.gz HYFZUWDINDFEEP-UHFFFAOYSA-N -1 0 378.450 4.110 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(OCc2cccnc2)c1 ZINC000180781866 821454564 /nfs/dbraw/zinc/45/45/64/821454564.db2.gz PICQETGXBBKDMC-UHFFFAOYSA-N -1 0 399.790 4.180 20 5 GIBDRM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181906149 822033216 /nfs/dbraw/zinc/03/32/16/822033216.db2.gz DUCGKTUOBFZKBN-UHFFFAOYSA-N -1 0 391.383 4.113 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1/C=C1/CN(C)Cc2c(C(=O)[O-])c3ccccc3nc21 ZINC000184333051 822617118 /nfs/dbraw/zinc/61/71/18/822617118.db2.gz FMKWXXANUYOZLE-GDNBJRDFSA-N -1 0 389.411 4.136 20 5 GIBDRM Cc1cccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c1[N+](=O)[O-] ZINC000174919450 822856091 /nfs/dbraw/zinc/85/60/91/822856091.db2.gz ZBTZESWHKXCLNQ-UHFFFAOYSA-N -1 0 385.601 4.277 20 5 GIBDRM O=C(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063096828 823651570 /nfs/dbraw/zinc/65/15/70/823651570.db2.gz BTNABBWDIRMIAH-UHFFFAOYSA-N -1 0 392.346 4.235 20 5 GIBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000574432031 823727164 /nfs/dbraw/zinc/72/71/64/823727164.db2.gz CHAJBFRKVYCVPS-UHFFFAOYSA-N -1 0 375.233 4.319 20 5 GIBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H](C)c1ccccc1C(F)(F)F ZINC000574540112 823759322 /nfs/dbraw/zinc/75/93/22/823759322.db2.gz ITYRHKHTHVWPMJ-WDEREUQCSA-N -1 0 382.338 4.241 20 5 GIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000191786165 823767946 /nfs/dbraw/zinc/76/79/46/823767946.db2.gz BOBILOAHOFDWRI-UHFFFAOYSA-N -1 0 390.248 4.023 20 5 GIBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175972453 823085550 /nfs/dbraw/zinc/08/55/50/823085550.db2.gz XVFJGGKDIGRZIK-UHFFFAOYSA-N -1 0 393.808 4.068 20 5 GIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1C ZINC000175972552 823085691 /nfs/dbraw/zinc/08/56/91/823085691.db2.gz VSJLBMWWWHWMJT-UHFFFAOYSA-N -1 0 387.417 4.031 20 5 GIBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571023482 823121692 /nfs/dbraw/zinc/12/16/92/823121692.db2.gz REOIMWPKLNKFHX-MLGOLLRUSA-N -1 0 395.843 4.136 20 5 GIBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000007053288 817748080 /nfs/dbraw/zinc/74/80/80/817748080.db2.gz PFJMDIZMCJPLRL-UHFFFAOYSA-N -1 0 394.758 4.376 20 5 GIBDRM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000409893082 823337983 /nfs/dbraw/zinc/33/79/83/823337983.db2.gz SMDJXBDNZLRSDI-UHFFFAOYSA-N -1 0 388.811 4.038 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000572927290 823421520 /nfs/dbraw/zinc/42/15/20/823421520.db2.gz GMPGGNVBRCGCFG-UHFFFAOYSA-N -1 0 378.381 4.152 20 5 GIBDRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000410399404 823486849 /nfs/dbraw/zinc/48/68/49/823486849.db2.gz DYLNNIGQKFBDPE-UHFFFAOYSA-N -1 0 383.857 4.259 20 5 GIBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097389 820897141 /nfs/dbraw/zinc/89/71/41/820897141.db2.gz ZXLMQGAOMNWRDQ-UHFFFAOYSA-N -1 0 389.433 4.143 20 5 GIBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)cs1 ZINC000032588661 820973067 /nfs/dbraw/zinc/97/30/67/820973067.db2.gz VHHQIPKMIUBVDO-UHFFFAOYSA-N -1 0 389.458 4.136 20 5 GIBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1C ZINC000460821040 823521727 /nfs/dbraw/zinc/52/17/27/823521727.db2.gz SMDZEXBMHQKJIJ-UHFFFAOYSA-N -1 0 388.367 4.117 20 5 GIBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)[nH]1 ZINC000033475939 821056423 /nfs/dbraw/zinc/05/64/23/821056423.db2.gz FAPQAPJTAFEEKQ-DJWKRKHSSA-N -1 0 394.170 4.121 20 5 GIBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000460842670 823526632 /nfs/dbraw/zinc/52/66/32/823526632.db2.gz YWDQUZXTTUETIL-UHFFFAOYSA-N -1 0 388.367 4.063 20 5 GIBDRM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181889028 822027317 /nfs/dbraw/zinc/02/73/17/822027317.db2.gz MVLVWWBDQWRYBD-UHFFFAOYSA-N -1 0 391.383 4.113 20 5 GIBDRM O=c1nc(Cc2ccc([N+](=O)[O-])cn2)[n-]c2cc(-c3ccccc3Cl)sc21 ZINC000182339733 822207994 /nfs/dbraw/zinc/20/79/94/822207994.db2.gz UZNYPVFFBHKSGY-UHFFFAOYSA-N -1 0 398.831 4.199 20 5 GIBDRM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183621593 822502551 /nfs/dbraw/zinc/50/25/51/822502551.db2.gz HDUVRCJJVSIVOX-UHFFFAOYSA-N -1 0 390.701 4.147 20 5 GIBDRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000179819632 822559163 /nfs/dbraw/zinc/55/91/63/822559163.db2.gz CEEONFMHLZHEJF-UHFFFAOYSA-N -1 0 389.564 4.108 20 5 GIBDRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000174923626 822856696 /nfs/dbraw/zinc/85/66/96/822856696.db2.gz PRQFGVRRFHYNCY-UHFFFAOYSA-N -1 0 389.564 4.108 20 5 GIBDRM Cc1ccccc1-c1n[n-]c(=NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 ZINC000569163596 822886699 /nfs/dbraw/zinc/88/66/99/822886699.db2.gz KFLWQFCSEWVWFC-UHFFFAOYSA-N -1 0 376.372 4.247 20 5 GIBDRM COc1cc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000125860424 823731363 /nfs/dbraw/zinc/73/13/63/823731363.db2.gz XWINVBRLHQXREK-LICLKQGHSA-N -1 0 393.355 4.201 20 5 GIBDRM O=C(Nc1cccc(CSc2ccccn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164430491 823802624 /nfs/dbraw/zinc/80/26/24/823802624.db2.gz UPHWWTBCKQAVFW-UHFFFAOYSA-N -1 0 381.413 4.240 20 5 GIBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1C1CC1 ZINC000414382921 823970211 /nfs/dbraw/zinc/97/02/11/823970211.db2.gz QBUXLCWQEPHHQW-CYBMUJFWSA-N -1 0 392.481 4.057 20 5 GIBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1C1CC1 ZINC000414382923 823970504 /nfs/dbraw/zinc/97/05/04/823970504.db2.gz QBUXLCWQEPHHQW-ZDUSSCGKSA-N -1 0 392.481 4.057 20 5 GIBDRM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000571457196 823185753 /nfs/dbraw/zinc/18/57/53/823185753.db2.gz FSYCRYVGQBBYSN-UHFFFAOYSA-N -1 0 385.763 4.393 20 5 GIBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] ZINC000176640449 823255289 /nfs/dbraw/zinc/25/52/89/823255289.db2.gz DSSORQPOWNLBTG-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc4ccccc4c3)sc2c1 ZINC000003468741 817462243 /nfs/dbraw/zinc/46/22/43/817462243.db2.gz SLPRJVYORRRURP-UHFFFAOYSA-N -1 0 385.426 4.159 20 5 GIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189681683 823474504 /nfs/dbraw/zinc/47/45/04/823474504.db2.gz UFIOSXISSIQBAC-GOSISDBHSA-N -1 0 392.415 4.058 20 5 GIBDRM CC(C)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(C)C)c1 ZINC000032600854 820975833 /nfs/dbraw/zinc/97/58/33/820975833.db2.gz JTLMUXUSPCGTSA-UHFFFAOYSA-N -1 0 378.450 4.348 20 5 GIBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1OCCc1ccccc1 ZINC000032631557 820981174 /nfs/dbraw/zinc/98/11/74/820981174.db2.gz QVZLDRLJQOJUFX-UHFFFAOYSA-N -1 0 398.440 4.017 20 5 GIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1sccc1Br ZINC000180783283 821455808 /nfs/dbraw/zinc/45/58/08/821455808.db2.gz DULZEXNBHVXYLQ-UHFFFAOYSA-N -1 0 377.603 4.030 20 5 GIBDRM Cc1cc(Br)c([O-])c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000182910414 822391128 /nfs/dbraw/zinc/39/11/28/822391128.db2.gz BUXKADGLMFKMSY-UHFFFAOYSA-N -1 0 385.601 4.277 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879238 823704832 /nfs/dbraw/zinc/70/48/32/823704832.db2.gz BFXMPQSQTODHNM-UHFFFAOYSA-N -1 0 389.458 4.191 20 5 GIBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000126511516 823888036 /nfs/dbraw/zinc/88/80/36/823888036.db2.gz HLZGXLOAHJWHLH-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2cccnc21 ZINC000462373489 823946944 /nfs/dbraw/zinc/94/69/44/823946944.db2.gz OZVSZRNDPQEZJI-UHFFFAOYSA-N -1 0 379.397 4.097 20 5 GIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(Cl)c1 ZINC000175971945 823085325 /nfs/dbraw/zinc/08/53/25/823085325.db2.gz OHDCSHZQLWKPMN-UHFFFAOYSA-N -1 0 393.808 4.068 20 5 GIBDRM O=C(NCC1(c2cccc(Cl)c2F)CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000570820456 823091658 /nfs/dbraw/zinc/09/16/58/823091658.db2.gz LZNDYJQUMTUSIX-UHFFFAOYSA-N -1 0 392.814 4.335 20 5 GIBDRM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])s1 ZINC000189752843 823488222 /nfs/dbraw/zinc/48/82/22/823488222.db2.gz NQJBBSHQBKJWQO-UHFFFAOYSA-N -1 0 380.838 4.004 20 5 GIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000032591334 820974572 /nfs/dbraw/zinc/97/45/72/820974572.db2.gz HHNFCWBUDQTZSM-UHFFFAOYSA-N -1 0 399.428 4.236 20 5 GIBDRM Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000460836939 823525658 /nfs/dbraw/zinc/52/56/58/823525658.db2.gz CZEIBCKPNZYQEM-UHFFFAOYSA-N -1 0 396.490 4.051 20 5 GIBDRM COc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1-c1ccccn1 ZINC000181538438 821873087 /nfs/dbraw/zinc/87/30/87/821873087.db2.gz JJTORELSOYYTHW-UHFFFAOYSA-N -1 0 399.790 4.277 20 5 GIBDRM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183917363 822545805 /nfs/dbraw/zinc/54/58/05/822545805.db2.gz QLGQBYRGLLGBHB-UHFFFAOYSA-N -1 0 378.384 4.045 20 5 GIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c2cccnc21 ZINC000184965822 822719497 /nfs/dbraw/zinc/71/94/97/822719497.db2.gz NWMXQMYYVMJWJF-UHFFFAOYSA-N -1 0 398.227 4.251 20 5 GIBDRM Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1-c1ccccc1 ZINC000569537923 822936630 /nfs/dbraw/zinc/93/66/30/822936630.db2.gz OCFQANMQMZOCNF-UHFFFAOYSA-N -1 0 383.429 4.074 20 5 GIBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2cccnc2)nc2ccccc21 ZINC000124948648 823639656 /nfs/dbraw/zinc/63/96/56/823639656.db2.gz QQDVYTDCAHBVON-UHFFFAOYSA-N -1 0 386.367 4.163 20 5 GIBDRM Cc1ccccc1-n1ncc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1C(C)C ZINC000191275053 823666255 /nfs/dbraw/zinc/66/62/55/823666255.db2.gz DMSRFEOHEVWWIY-UHFFFAOYSA-N -1 0 380.404 4.170 20 5 GIBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000191957421 823824230 /nfs/dbraw/zinc/82/42/30/823824230.db2.gz LYCHULVAEQGUCC-QGZVFWFLSA-N -1 0 392.415 4.058 20 5 GIBDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)n1 ZINC000126761284 823944265 /nfs/dbraw/zinc/94/42/65/823944265.db2.gz UBQHBQQMTJTYMO-UHFFFAOYSA-N -1 0 393.808 4.012 20 5 GIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cccnc21 ZINC000462369160 823944534 /nfs/dbraw/zinc/94/45/34/823944534.db2.gz LROFOFUFCIEUDQ-UHFFFAOYSA-N -1 0 398.227 4.251 20 5 GIBDRM O=C([O-])c1ccnc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000575925403 824030688 /nfs/dbraw/zinc/03/06/88/824030688.db2.gz MUFBMKBIKSYVGI-UHFFFAOYSA-N -1 0 395.337 4.091 20 5 GIBDRM O=C(NCC(Cc1ccccc1)Cc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000570503052 823047179 /nfs/dbraw/zinc/04/71/79/823047179.db2.gz IUGXYKQHDYZTAB-UHFFFAOYSA-N -1 0 390.439 4.132 20 5 GIBDRM CC(C)c1scnc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000570717432 823075071 /nfs/dbraw/zinc/07/50/71/823075071.db2.gz APHVDMGPYYOLTP-UHFFFAOYSA-N -1 0 396.277 4.282 20 5 GIBDRM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176221363 823155867 /nfs/dbraw/zinc/15/58/67/823155867.db2.gz BNFQYNFQGIDJSF-UHFFFAOYSA-N -1 0 383.404 4.072 20 5 GIBDRM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000007051972 817747303 /nfs/dbraw/zinc/74/73/03/817747303.db2.gz JSMVGFCULDOTGA-UHFFFAOYSA-N -1 0 375.431 4.201 20 5 GIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)cc1 ZINC000409870407 823331426 /nfs/dbraw/zinc/33/14/26/823331426.db2.gz NRLAINBDHVYFNK-UHFFFAOYSA-N -1 0 396.852 4.370 20 5 GIBDRM Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000024098355 819023399 /nfs/dbraw/zinc/02/33/99/819023399.db2.gz WMVZLBXZJDTLRX-HXUWFJFHSA-N -1 0 375.384 4.380 20 5 GIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1[N+](=O)[O-] ZINC000189250542 823381490 /nfs/dbraw/zinc/38/14/90/823381490.db2.gz QBUQVYWJKLBKNO-UHFFFAOYSA-N -1 0 387.417 4.031 20 5 GIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1[N+](=O)[O-] ZINC000189306613 823391534 /nfs/dbraw/zinc/39/15/34/823391534.db2.gz WRBKTHRERNYQCH-UHFFFAOYSA-N -1 0 387.417 4.031 20 5 GIBDRM O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000028835779 820361825 /nfs/dbraw/zinc/36/18/25/820361825.db2.gz LJDQKVGXRIBUCG-UHFFFAOYSA-N -1 0 399.306 4.061 20 5 GIBDRM O=C([O-])CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000029011358 820383525 /nfs/dbraw/zinc/38/35/25/820383525.db2.gz WOOODTFULFOINO-UHFFFAOYSA-N -1 0 399.241 4.111 20 5 GIBDRM Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000032798304 821009263 /nfs/dbraw/zinc/00/92/63/821009263.db2.gz RAVIRQBOYPLGBO-UHFFFAOYSA-N -1 0 399.428 4.153 20 5 GIBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000178173977 822341587 /nfs/dbraw/zinc/34/15/87/822341587.db2.gz VSMQSJBJDIHLSU-APPDUMDISA-N -1 0 384.413 4.001 20 5 GIBDRM COCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)sc2cccc(F)c21 ZINC000183911255 822544659 /nfs/dbraw/zinc/54/46/59/822544659.db2.gz OBYQTBLSDREEIE-UHFFFAOYSA-N -1 0 376.365 4.053 20 5 GIBDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000180160816 822629856 /nfs/dbraw/zinc/62/98/56/822629856.db2.gz OVPFBAUOQPJGGX-UHFFFAOYSA-N -1 0 399.266 4.083 20 5 GIBDRM Cc1noc([N-]C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000184478041 822642751 /nfs/dbraw/zinc/64/27/51/822642751.db2.gz RJMFUMKOKJLNAW-UHFFFAOYSA-N -1 0 390.808 4.343 20 5 GIBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000174587727 822808756 /nfs/dbraw/zinc/80/87/56/822808756.db2.gz YTDNVCRCTOTKLW-FNORWQNLSA-N -1 0 381.300 4.027 20 5 GIBDRM COc1cc(CNC(=O)c2cc3ccccc3c3cccnc23)ccc1C(=O)[O-] ZINC000191053138 823642871 /nfs/dbraw/zinc/64/28/71/823642871.db2.gz MLOXSPULNPHBHC-UHFFFAOYSA-N -1 0 386.407 4.025 20 5 GIBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000164259423 823790282 /nfs/dbraw/zinc/79/02/82/823790282.db2.gz WSRJFJKBVLUTNM-UHFFFAOYSA-N -1 0 392.333 4.249 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000071974309 222201415 /nfs/dbraw/zinc/20/14/15/222201415.db2.gz QRDJISJQFBFOFH-UHFFFAOYSA-N -1 0 394.758 4.376 20 5 GIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000071974329 222201932 /nfs/dbraw/zinc/20/19/32/222201932.db2.gz SWTSQPRUKBZODA-UHFFFAOYSA-N -1 0 382.441 4.295 20 5 GIBDRM