smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]1CS[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000083237254 192367169 /nfs/dbraw/zinc/36/71/69/192367169.db2.gz JQYLQCWCUUOGKX-ZWNOBZJWSA-N -1 0 320.326 2.643 40 5 DFBBRM Cc1cccc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000225125066 201687414 /nfs/dbraw/zinc/68/74/14/201687414.db2.gz NESNLGZSXSTNAV-HNNXBMFYSA-N -1 0 301.298 2.978 40 5 DFBBRM CC(C)N1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000408962086 257225173 /nfs/dbraw/zinc/22/51/73/257225173.db2.gz GJIFIFDFZALCJX-WDZFZDKYSA-N -1 0 308.315 2.745 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1c(Cl)cccc1Cl ZINC000408717692 257214994 /nfs/dbraw/zinc/21/49/94/257214994.db2.gz OMLKYHYGGGAPKV-UHFFFAOYSA-N -1 0 316.100 2.845 40 5 DFBBRM Cc1cccc(C)c1-n1c2ccccc2cc2c(=O)[n-]c(=O)nc1-2 ZINC000059484171 425898706 /nfs/dbraw/zinc/89/87/06/425898706.db2.gz JXXIJOMDWRQZIH-UHFFFAOYSA-N -1 0 317.348 2.796 40 5 DFBBRM O=C([O-])c1cccnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006925885 181407452 /nfs/dbraw/zinc/40/74/52/181407452.db2.gz QEUFXJYDDDPFRG-UHFFFAOYSA-N -1 0 321.270 2.747 40 5 DFBBRM O=C([O-])[C@H](Cc1ccccc1)NSc1ccccc1[N+](=O)[O-] ZINC000028631505 182531594 /nfs/dbraw/zinc/53/15/94/182531594.db2.gz JPFBMBJXDGJTDF-LBPRGKRZSA-N -1 0 318.354 2.887 40 5 DFBBRM Cc1noc(/C=C\c2ccccc2OCC(=O)[O-])c1[N+](=O)[O-] ZINC000408540970 257230157 /nfs/dbraw/zinc/23/01/57/257230157.db2.gz AEMIABCTPPTFIY-SREVYHEPSA-N -1 0 304.258 2.525 40 5 DFBBRM COc1ccc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000225126328 426594494 /nfs/dbraw/zinc/59/44/94/426594494.db2.gz OPJXRZVJXQTCPB-OAHLLOKOSA-N -1 0 317.297 2.678 40 5 DFBBRM COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000005586677 181261239 /nfs/dbraw/zinc/26/12/39/181261239.db2.gz VUUDEWDUADVXGI-UHFFFAOYSA-N -1 0 316.269 2.823 40 5 DFBBRM C[C@@H](OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000005723130 181277163 /nfs/dbraw/zinc/27/71/63/181277163.db2.gz PPTUBSSINJWZBK-DDTOSNHZSA-N -1 0 319.313 2.866 40 5 DFBBRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005944028 304099469 /nfs/dbraw/zinc/09/94/69/304099469.db2.gz FWMZYGAEPXRDNX-VHSXEESVSA-N -1 0 324.720 2.854 40 5 DFBBRM COc1ccc(OCc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000072209201 257128449 /nfs/dbraw/zinc/12/84/49/257128449.db2.gz YCSGVOYXXDJMPU-UHFFFAOYSA-N -1 0 303.270 2.881 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)c(Cl)c1 ZINC000408717660 257215426 /nfs/dbraw/zinc/21/54/26/257215426.db2.gz NADOPLPVPDVKEE-UHFFFAOYSA-N -1 0 316.100 2.845 40 5 DFBBRM O=C1OC(c2ccccc2)=N/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000033437944 425842128 /nfs/dbraw/zinc/84/21/28/425842128.db2.gz LIIZZPYRCATKCW-XYOKQWHBSA-N -1 0 310.265 2.645 40 5 DFBBRM O=C(c1cccc([N+](=O)[O-])c1)c1c(=O)oc2ccccc2c1[O-] ZINC000100771487 426483136 /nfs/dbraw/zinc/48/31/36/426483136.db2.gz NSVOQCVVOPNJJZ-UHFFFAOYSA-N -1 0 311.249 2.638 40 5 DFBBRM COc1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216346714 426558511 /nfs/dbraw/zinc/55/85/11/426558511.db2.gz LHYZSRISWMYGPB-UHFFFAOYSA-N -1 0 322.342 2.545 40 5 DFBBRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccc(F)cc21 ZINC000195567284 323283920 /nfs/dbraw/zinc/28/39/20/323283920.db2.gz QDBUADAGSKAQEE-UHFFFAOYSA-N -1 0 302.261 2.642 40 5 DFBBRM COc1ccc(CCNc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000038781896 398556697 /nfs/dbraw/zinc/55/66/97/398556697.db2.gz LJFXLCFFWRLBRJ-UHFFFAOYSA-N -1 0 316.313 2.956 40 5 DFBBRM O=C([O-])/C=C/C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1 ZINC000001694577 180889047 /nfs/dbraw/zinc/88/90/47/180889047.db2.gz ZTKDUXFMFYGBPZ-BQYQJAHWSA-N -1 0 309.277 2.526 40 5 DFBBRM O=C([O-])/C(=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000001716381 180891101 /nfs/dbraw/zinc/89/11/01/180891101.db2.gz QMXRAGWVFVHMHK-GHXNOFRVSA-N -1 0 313.265 2.949 40 5 DFBBRM O=C([O-])c1ccc(C[S@](=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004641480 181131659 /nfs/dbraw/zinc/13/16/59/181131659.db2.gz OLUMHCPDVGQCAR-OAQYLSRUSA-N -1 0 305.311 2.601 40 5 DFBBRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194662774 201270782 /nfs/dbraw/zinc/27/07/82/201270782.db2.gz ZFLXJTHZHRYWSO-UHFFFAOYSA-N -1 0 323.330 2.569 40 5 DFBBRM CC(C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000409018276 257224177 /nfs/dbraw/zinc/22/41/77/257224177.db2.gz SVSLPTHRFAVACG-IZZDOVSWSA-N -1 0 308.315 2.745 40 5 DFBBRM O=C([O-])c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003195284 425611696 /nfs/dbraw/zinc/61/16/96/425611696.db2.gz CGRXSZMPTHGXSP-CMDGGOBGSA-N -1 0 312.281 2.945 40 5 DFBBRM COc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000020140832 425792126 /nfs/dbraw/zinc/79/21/26/425792126.db2.gz IQRDLZNJUMPJBR-UHFFFAOYSA-N -1 0 316.269 2.554 40 5 DFBBRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc3ccccc23)[nH]1 ZINC000033926541 425842350 /nfs/dbraw/zinc/84/23/50/425842350.db2.gz LKJXKHFLDVGUOQ-HJWRWDBZSA-N -1 0 309.281 2.707 40 5 DFBBRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000006519827 181348442 /nfs/dbraw/zinc/34/84/42/181348442.db2.gz RRXUJALUVXKMIM-UHFFFAOYSA-N -1 0 314.297 2.783 40 5 DFBBRM O=[N+]([O-])c1cccc([C@@H](NCc2ccccc2)[P@](=O)([O-])O)c1 ZINC000065090420 184310317 /nfs/dbraw/zinc/31/03/17/184310317.db2.gz OVSHTRIRRLHWHS-AWEZNQCLSA-N -1 0 322.257 2.561 40 5 DFBBRM O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000020139735 425793227 /nfs/dbraw/zinc/79/32/27/425793227.db2.gz YBQSVIKHQLVENU-UHFFFAOYSA-N -1 0 310.649 2.792 40 5 DFBBRM C[C@H](OC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000248319079 341375406 /nfs/dbraw/zinc/37/54/06/341375406.db2.gz PPTUBSSINJWZBK-ZLKJLUDKSA-N -1 0 319.313 2.866 40 5 DFBBRM O=C([O-])C[C@H](NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000004581132 181126860 /nfs/dbraw/zinc/12/68/60/181126860.db2.gz UTZPECYTFKUDQW-NSHDSACASA-N -1 0 320.326 2.602 40 5 DFBBRM CCc1ccc([N-]S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005486013 181248665 /nfs/dbraw/zinc/24/86/65/181248665.db2.gz JBDDVIWMFUSRFW-UHFFFAOYSA-N -1 0 306.343 2.958 40 5 DFBBRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005720673 181276006 /nfs/dbraw/zinc/27/60/06/181276006.db2.gz ZIKXTYNTHKXVDW-UHFFFAOYSA-N -1 0 316.269 2.554 40 5 DFBBRM CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC1CCCCC1 ZINC000138762203 398879622 /nfs/dbraw/zinc/87/96/22/398879622.db2.gz NVWRBCDYXGZLAT-UHFFFAOYSA-N -1 0 314.363 2.678 40 5 DFBBRM COc1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000006270320 181325039 /nfs/dbraw/zinc/32/50/39/181325039.db2.gz FXJUSLVRGCAXQM-UHFFFAOYSA-N -1 0 322.342 2.713 40 5 DFBBRM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000017285189 182080690 /nfs/dbraw/zinc/08/06/90/182080690.db2.gz UWWANAPPEOJEGH-WAYWQWQTSA-N -1 0 324.292 2.745 40 5 DFBBRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005944022 304175992 /nfs/dbraw/zinc/17/59/92/304175992.db2.gz FWMZYGAEPXRDNX-ZJUUUORDSA-N -1 0 324.720 2.854 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000039222741 304227898 /nfs/dbraw/zinc/22/78/98/304227898.db2.gz IRAPHPGUTNFWGS-UHFFFAOYSA-N -1 0 304.214 2.994 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1cccc(Cl)c1Cl ZINC000408717584 257215625 /nfs/dbraw/zinc/21/56/25/257215625.db2.gz JAJLMHFKJIFYDY-UHFFFAOYSA-N -1 0 316.100 2.845 40 5 DFBBRM COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000033563350 262507008 /nfs/dbraw/zinc/50/70/08/262507008.db2.gz ULABKYQAUTYOEA-UHFFFAOYSA-N -1 0 316.269 2.554 40 5 DFBBRM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1O ZINC000020140844 425791961 /nfs/dbraw/zinc/79/19/61/425791961.db2.gz DQODOMOFKYIBRB-UHFFFAOYSA-N -1 0 316.269 2.559 40 5 DFBBRM CCCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000036541853 425845979 /nfs/dbraw/zinc/84/59/79/425845979.db2.gz FQLXVOJGVUNPEH-UHFFFAOYSA-N -1 0 311.363 2.694 40 5 DFBBRM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC000020140838 190645379 /nfs/dbraw/zinc/64/53/79/190645379.db2.gz AITUNZSUASLPGR-UHFFFAOYSA-N -1 0 300.270 2.854 40 5 DFBBRM O=[N+]([O-])c1cccc(N[C@@H](c2ccccc2)S(=O)(=O)[O-])c1 ZINC000005493696 181249387 /nfs/dbraw/zinc/24/93/87/181249387.db2.gz OPLPOUCFFJDJJY-CYBMUJFWSA-N -1 0 308.315 2.593 40 5 DFBBRM COc1ccccc1OCc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000072209199 257128447 /nfs/dbraw/zinc/12/84/47/257128447.db2.gz QDUYXCRNEDHEOX-UHFFFAOYSA-N -1 0 303.270 2.881 40 5 DFBBRM C[C@H](OC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000248319077 341375365 /nfs/dbraw/zinc/37/53/65/341375365.db2.gz PPTUBSSINJWZBK-GDLCADMTSA-N -1 0 319.313 2.866 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1Oc1cccc([N+](=O)[O-])c1 ZINC000001677208 180887011 /nfs/dbraw/zinc/88/70/11/180887011.db2.gz QXCOVIYBYGBDIX-UHFFFAOYSA-N -1 0 304.214 2.994 40 5 DFBBRM O=C([O-])c1ccc(C[S@@](=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004641481 181131345 /nfs/dbraw/zinc/13/13/45/181131345.db2.gz OLUMHCPDVGQCAR-NRFANRHFSA-N -1 0 305.311 2.601 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1NCCc1ccc(O)cc1 ZINC000315218589 257215302 /nfs/dbraw/zinc/21/53/02/257215302.db2.gz JNYKXSWSXRONPO-UHFFFAOYSA-N -1 0 302.286 2.653 40 5 DFBBRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000013091852 425748803 /nfs/dbraw/zinc/74/88/03/425748803.db2.gz DOIDDUOZUNCCEV-UHFFFAOYSA-N -1 0 314.297 2.531 40 5 DFBBRM CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013671069 425758757 /nfs/dbraw/zinc/75/87/57/425758757.db2.gz JHCXWGAXWFBGMK-UHFFFAOYSA-N -1 0 322.342 2.794 40 5 DFBBRM COc1ccccc1CNc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000314133691 257215260 /nfs/dbraw/zinc/21/52/60/257215260.db2.gz OAIMCMMEHQVQBG-UHFFFAOYSA-N -1 0 302.286 2.914 40 5 DFBBRM O=C([O-])/C=C/c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000314710463 257215408 /nfs/dbraw/zinc/21/54/08/257215408.db2.gz SUEQRMNQLAYYBV-QPJJXVBHSA-N -1 0 302.242 2.538 40 5 DFBBRM COCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000026547173 425812942 /nfs/dbraw/zinc/81/29/42/425812942.db2.gz WORXDXNQBBHYGC-UHFFFAOYSA-N -1 0 322.342 2.542 40 5 DFBBRM Cc1cc(Cc2nc(=O)c3sccc3[n-]2)ccc1[N+](=O)[O-] ZINC000084101499 192402955 /nfs/dbraw/zinc/40/29/55/192402955.db2.gz KCTLVZPQVVGDAL-UHFFFAOYSA-N -1 0 301.327 2.792 40 5 DFBBRM Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000320270363 257212934 /nfs/dbraw/zinc/21/29/34/257212934.db2.gz LHKMIPFMBIKFLP-UHFFFAOYSA-N -1 0 314.297 2.783 40 5 DFBBRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013166539 425750573 /nfs/dbraw/zinc/75/05/73/425750573.db2.gz ONTHXZZJQFNIKV-UHFFFAOYSA-N -1 0 316.269 2.554 40 5 DFBBRM CC(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000033406166 280589845 /nfs/dbraw/zinc/58/98/45/280589845.db2.gz HEBONQRXDWTYBH-YVMONPNESA-N -1 0 301.302 2.678 40 5 DFBBRM CC(C)C[C@@](C)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004824534 181157323 /nfs/dbraw/zinc/15/73/23/181157323.db2.gz NTLWYDBVHFPHOF-CYBMUJFWSA-N -1 0 311.294 2.804 40 5 DFBBRM O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1ccccn1 ZINC000005391138 181237962 /nfs/dbraw/zinc/23/79/62/181237962.db2.gz ZNWNLMYGMUBKBC-UHFFFAOYSA-N -1 0 309.289 2.662 40 5 DFBBRM Cc1noc(/C=C/c2cccc(OCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000408602128 257229254 /nfs/dbraw/zinc/22/92/54/257229254.db2.gz AOWSUFHZKOXPGN-AATRIKPKSA-N -1 0 304.258 2.525 40 5 DFBBRM O=C([O-])c1cn(Cc2ccc(Cl)cc2Cl)nc1[N+](=O)[O-] ZINC000408717374 257215450 /nfs/dbraw/zinc/21/54/50/257215450.db2.gz ZAGRRZATAWAHRI-UHFFFAOYSA-N -1 0 316.100 2.845 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000059417380 425898601 /nfs/dbraw/zinc/89/86/01/425898601.db2.gz NCEBNZBEHVDCGN-UHFFFAOYSA-N -1 0 309.278 2.582 40 5 DFBBRM Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)[O-])c1O ZINC000020140796 425792403 /nfs/dbraw/zinc/79/24/03/425792403.db2.gz HIDFFTYWTOGOMO-UHFFFAOYSA-N -1 0 316.269 2.559 40 5 DFBBRM O=C([O-])[C@H](Cc1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000225127448 426594148 /nfs/dbraw/zinc/59/41/48/426594148.db2.gz IKNICHMYWZWCCQ-HNNXBMFYSA-N -1 0 301.298 2.807 40 5 DFBBRM O=C([O-])CCCNc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005003541 181188764 /nfs/dbraw/zinc/18/87/64/181188764.db2.gz QOXMFBOCSDHEKJ-UHFFFAOYSA-N -1 0 319.273 2.933 40 5 DFBBRM O=c1c2c[n-]c3ccc([N+](=O)[O-])cc3c-2nn1-c1ccccc1 ZINC000034925907 257129553 /nfs/dbraw/zinc/12/95/53/257129553.db2.gz YNDJJQCOKFBUME-UHFFFAOYSA-N -1 0 306.281 2.775 40 5 DFBBRM CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000010112203 425697932 /nfs/dbraw/zinc/69/79/32/425697932.db2.gz XPITUVOMARWKBH-UHFFFAOYSA-N -1 0 322.342 2.794 40 5 DFBBRM CCOC(=O)c1c[n-]c2c(C)c(F)c(F)c([N+](=O)[O-])c2c1=O ZINC000096327317 426413475 /nfs/dbraw/zinc/41/34/75/426413475.db2.gz KSZSXIMAODIQHC-UHFFFAOYSA-N -1 0 312.228 2.612 40 5 DFBBRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCCC1 ZINC000005335141 304227799 /nfs/dbraw/zinc/22/77/99/304227799.db2.gz MSGUQZMZKLOPMQ-UHFFFAOYSA-N -1 0 309.278 2.582 40 5 DFBBRM Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000409378445 257220162 /nfs/dbraw/zinc/22/01/62/257220162.db2.gz PGMIOMDUYPYJBQ-UHFFFAOYSA-N -1 0 300.270 2.854 40 5 DFBBRM O=C([O-])c1cn(Cc2ccc(Cl)c(Cl)c2)nc1[N+](=O)[O-] ZINC000408716082 257214957 /nfs/dbraw/zinc/21/49/57/257214957.db2.gz IRMWKPAXZAQUCA-UHFFFAOYSA-N -1 0 316.100 2.845 40 5 DFBBRM O=C([O-])[C@@H](Cc1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000225127406 426595125 /nfs/dbraw/zinc/59/51/25/426595125.db2.gz IKNICHMYWZWCCQ-OAHLLOKOSA-N -1 0 301.298 2.807 40 5 DFBBRM Cc1cccc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000225125102 426595690 /nfs/dbraw/zinc/59/56/90/426595690.db2.gz NESNLGZSXSTNAV-OAHLLOKOSA-N -1 0 301.298 2.978 40 5 DFBBRM Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013438860 181850186 /nfs/dbraw/zinc/85/01/86/181850186.db2.gz OHAOBLUFBAPZTF-UHFFFAOYSA-N -1 0 314.297 2.783 40 5 DFBBRM Cc1noc(/C=C\c2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000408543224 257230154 /nfs/dbraw/zinc/23/01/54/257230154.db2.gz NUQASGGGNJCQIF-DAXSKMNVSA-N -1 0 304.258 2.525 40 5 DFBBRM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)oc(=O)c1ccccc12 ZINC000001693082 425585023 /nfs/dbraw/zinc/58/50/23/425585023.db2.gz HHGLRTMNBJCNJN-BQYQJAHWSA-N -1 0 309.277 2.526 40 5 DFBBRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1O ZINC000020140885 425791705 /nfs/dbraw/zinc/79/17/05/425791705.db2.gz VPSHFCKMAXZTKP-UHFFFAOYSA-N -1 0 316.269 2.559 40 5 DFBBRM O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(N3CCCCC3)nc2c1[O-] ZINC000001710643 304801183 /nfs/dbraw/zinc/80/11/83/304801183.db2.gz DMSOJAGNIDGGKU-UHFFFAOYSA-N -1 0 318.289 2.747 40 5 DFBBRM O=C(C[C@@H]1OC(=O)c2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000016740872 182059238 /nfs/dbraw/zinc/05/92/38/182059238.db2.gz JTNHXVBVDMACIT-HNNXBMFYSA-N -1 0 313.265 2.785 40 5 DFBBRM COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000408545374 257230119 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Cc1cc(C)n(CCCNc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000013079500 181826242 /nfs/dbraw/zinc/82/62/42/181826242.db2.gz ILBPRBDVDHKDLU-UHFFFAOYSA-N -1 0 318.333 2.609 40 5 DFBBRM O=[N+]([O-])c1cccc(N[C@H](c2ccccc2)S(=O)(=O)[O-])c1 ZINC000001559042 425582593 /nfs/dbraw/zinc/58/25/93/425582593.db2.gz OPLPOUCFFJDJJY-ZDUSSCGKSA-N -1 0 308.315 2.593 40 5 DFBBRM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001614575 425582852 /nfs/dbraw/zinc/58/28/52/425582852.db2.gz UWWANAPPEOJEGH-AATRIKPKSA-N -1 0 324.292 2.745 40 5 DFBBRM O=C([O-])COc1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)cc1 ZINC000084503272 426238573 /nfs/dbraw/zinc/23/85/73/426238573.db2.gz HBXRMMQLAQUNKF-DAFODLJHSA-N -1 0 300.270 2.624 40 5 DFBBRM O=C([O-])[C@@H]1CS[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000083237252 192366299 /nfs/dbraw/zinc/36/62/99/192366299.db2.gz JQYLQCWCUUOGKX-GWCFXTLKSA-N -1 0 320.326 2.643 40 5 DFBBRM Cc1nc([N-]c2ccccn2)nc(Nc2ccccn2)c1[N+](=O)[O-] ZINC000005360814 181234513 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COc1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006270318 181324757 /nfs/dbraw/zinc/32/47/57/181324757.db2.gz LFEXOVIAPKDYDI-UHFFFAOYSA-N -1 0 322.342 2.713 40 5 DFBBRM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000013439680 181849714 /nfs/dbraw/zinc/84/97/14/181849714.db2.gz KNRLTXLYKHNRJF-UHFFFAOYSA-N -1 0 314.297 2.783 40 5 DFBBRM O=C([O-])c1cn(Cc2cccc(Cl)c2Cl)nc1[N+](=O)[O-] ZINC000408716147 257215497 /nfs/dbraw/zinc/21/54/97/257215497.db2.gz JJWUSLDMPUYTRZ-UHFFFAOYSA-N -1 0 316.100 2.845 40 5 DFBBRM O=C([O-])c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001600148 425583321 /nfs/dbraw/zinc/58/33/21/425583321.db2.gz GXWBOXHJWIENMO-UHFFFAOYSA-N -1 0 304.214 2.994 40 5 DFBBRM O=C([O-])c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000003194445 425612145 /nfs/dbraw/zinc/61/21/45/425612145.db2.gz LBKVGDPSOYPBOQ-BQYQJAHWSA-N -1 0 312.281 2.945 40 5 DFBBRM O=C([O-])/C=C\C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033281903 425841888 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O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1 ZINC000409378177 257220221 /nfs/dbraw/zinc/22/02/21/257220221.db2.gz NINSPYRRRGPQQP-UHFFFAOYSA-N -1 0 304.233 2.684 40 5 DFBBRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000008051559 425660090 /nfs/dbraw/zinc/66/00/90/425660090.db2.gz DTSOQWONMZBWGJ-UHFFFAOYSA-N -1 0 314.297 2.783 40 5 DFBBRM COc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000220524817 426575912 /nfs/dbraw/zinc/57/59/12/426575912.db2.gz WSZWKTGBQPROEI-UHFFFAOYSA-N -1 0 302.286 2.914 40 5 DFBBRM O=C([O-])[C@@H]1CS[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000083237250 192367006 /nfs/dbraw/zinc/36/70/06/192367006.db2.gz JQYLQCWCUUOGKX-GXFFZTMASA-N -1 0 320.326 2.643 40 5 DFBBRM O=[N+]([O-])c1cnc([N-]c2ccccn2)nc1Nc1ccccn1 ZINC000005337264 181231020 /nfs/dbraw/zinc/23/10/20/181231020.db2.gz IHHSIVSTIFKXLQ-UHFFFAOYSA-N -1 0 309.289 2.662 40 5 DFBBRM Cc1ccccc1O[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000225124969 201688473 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Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000084101496 426231565 /nfs/dbraw/zinc/23/15/65/426231565.db2.gz SAORAXLTLGWDDZ-UHFFFAOYSA-N -1 0 314.297 2.783 40 5 DFBBRM Cc1ccc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000225125197 426595961 /nfs/dbraw/zinc/59/59/61/426595961.db2.gz NGWGEKSKBFQEBX-OAHLLOKOSA-N -1 0 301.298 2.978 40 5 DFBBRM COCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192760140 427604186 /nfs/dbraw/zinc/60/41/86/427604186.db2.gz FMXBUPFYOXYDAV-UHFFFAOYSA-N -1 0 322.342 2.542 40 5 DFBBRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005589121 181261265 /nfs/dbraw/zinc/26/12/65/181261265.db2.gz XIODMFRUWABCSR-UHFFFAOYSA-N -1 0 317.257 2.813 40 5 DFBBRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005944026 181299089 /nfs/dbraw/zinc/29/90/89/181299089.db2.gz FWMZYGAEPXRDNX-UWVGGRQHSA-N -1 0 324.720 2.854 40 5 DFBBRM CN(C)c1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000195555963 399185347 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C[C@H](OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000005721772 181276873 /nfs/dbraw/zinc/27/68/73/181276873.db2.gz PPTUBSSINJWZBK-LEWSCRJBSA-N -1 0 319.313 2.866 40 5 DFBBRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000005754053 181280729 /nfs/dbraw/zinc/28/07/29/181280729.db2.gz APPOJKIPELHCPS-UHFFFAOYSA-N -1 0 300.270 2.854 40 5 DFBBRM CCOc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000010112196 425697828 /nfs/dbraw/zinc/69/78/28/425697828.db2.gz HXSFWAZNHZWHIG-UHFFFAOYSA-N -1 0 322.342 2.794 40 5 DFBBRM COc1cccc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000225126238 201687512 /nfs/dbraw/zinc/68/75/12/201687512.db2.gz BVBZJBUYQRHYEY-OAHLLOKOSA-N -1 0 317.297 2.678 40 5 DFBBRM COc1ccccc1O[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000225126094 201688492 /nfs/dbraw/zinc/68/84/92/201688492.db2.gz COGVUJDYFLWJHO-HNNXBMFYSA-N -1 0 317.297 2.678 40 5 DFBBRM COc1cc(CC(=O)Cc2ccc(C)cc2)cc([N+](=O)[O-])c1[O-] ZINC000038526375 183001446 /nfs/dbraw/zinc/00/14/46/183001446.db2.gz GLMGODOZKPMGSB-UHFFFAOYSA-N -1 0 315.325 2.972 40 5 DFBBRM Nc1ccccc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000408600026 257229408 /nfs/dbraw/zinc/22/94/08/257229408.db2.gz RHMLZGCHABYPDS-UHFFFAOYSA-N -1 0 319.342 2.613 40 5 DFBBRM CCOC(=O)C=C([O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008700383 285683026 /nfs/dbraw/zinc/68/30/26/285683026.db2.gz YMJYOKMFLTYSBM-UHFFFAOYSA-N -1 0 303.270 2.991 40 5 DFBBRM O=C([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000001716380 425585017 /nfs/dbraw/zinc/58/50/17/425585017.db2.gz QMXRAGWVFVHMHK-KPKJPENVSA-N -1 0 313.265 2.949 40 5 DFBBRM O=Cc1cc([N+](=O)[O-])ccc1Sc1ncccc1C(=O)[O-] ZINC000016386047 257211897 /nfs/dbraw/zinc/21/18/97/257211897.db2.gz GBURIIGHAGMHRP-UHFFFAOYSA-N -1 0 304.283 2.652 40 5 DFBBRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000319928570 257213060 /nfs/dbraw/zinc/21/30/60/257213060.db2.gz AUYXZSXEZQFBRN-UHFFFAOYSA-N -1 0 314.297 2.783 40 5 DFBBRM O=C([O-])c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000003194255 425611308 /nfs/dbraw/zinc/61/13/08/425611308.db2.gz UCYXMSKZNCHRLI-RUDMXATFSA-N -1 0 312.281 2.945 40 5 DFBBRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000012030688 425716849 /nfs/dbraw/zinc/71/68/49/425716849.db2.gz NFLROBNSFALMTC-UHFFFAOYSA-N -1 0 300.270 2.854 40 5 DFBBRM O=C([O-])/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000004914022 181172137 /nfs/dbraw/zinc/17/21/37/181172137.db2.gz ZZFKPNPIOBGWHW-WUXMJOGZSA-N -1 0 313.265 2.949 40 5 DFBBRM Cc1nc([N-]c2ccccn2)c([N+](=O)[O-])c(Nc2ccccn2)n1 ZINC000005390720 181238153 /nfs/dbraw/zinc/23/81/53/181238153.db2.gz ODGJGVVEUCLBCM-UHFFFAOYSA-N -1 0 323.316 2.970 40 5 DFBBRM O=C([O-])[C@@H](Cc1ccccc1)NSc1ccccc1[N+](=O)[O-] ZINC000028631502 182531100 /nfs/dbraw/zinc/53/11/00/182531100.db2.gz JPFBMBJXDGJTDF-GFCCVEGCSA-N -1 0 318.354 2.887 40 5 DFBBRM CN1C(=O)S/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000408808713 257226735 /nfs/dbraw/zinc/22/67/35/257226735.db2.gz FHUBBDLLOVZIDC-BAQGIRSFSA-N -1 0 314.706 2.620 40 5 DFBBRM O=C([O-])/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000001569684 425583535 /nfs/dbraw/zinc/58/35/35/425583535.db2.gz ZZFKPNPIOBGWHW-SDQBBNPISA-N -1 0 313.265 2.949 40 5 DFBBRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000020140789 425792654 /nfs/dbraw/zinc/79/26/54/425792654.db2.gz PINBZEJXMULIGB-UHFFFAOYSA-N -1 0 316.269 2.554 40 5 DFBBRM COC(=O)c1ccc(-c2nc3cc([N+](=O)[O-])c([O-])cc3o2)cc1 ZINC000021297847 425795292 /nfs/dbraw/zinc/79/52/92/425795292.db2.gz QUEPCUKXPKJVKJ-UHFFFAOYSA-N -1 0 314.253 2.895 40 5 DFBBRM COc1cc([N+](=O)[O-])cc(CCCC(=O)[O-])c1OC(F)F ZINC000078406408 426168910 /nfs/dbraw/zinc/16/89/10/426168910.db2.gz SOPAMQPTFCVSCM-UHFFFAOYSA-N -1 0 305.233 2.612 40 5 DFBBRM O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000020139725 190645773 /nfs/dbraw/zinc/64/57/73/190645773.db2.gz JKQGMJIRIJNYIU-UHFFFAOYSA-N -1 0 310.649 2.792 40 5 DFBBRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc3ccccc3c2)[nH]1 ZINC000033620026 398546345 /nfs/dbraw/zinc/54/63/45/398546345.db2.gz VYABZHHAVIWURU-SOFGYWHQSA-N -1 0 309.281 2.707 40 5 DFBBRM C[C@H](OC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000005721773 181276962 /nfs/dbraw/zinc/27/69/62/181276962.db2.gz PPTUBSSINJWZBK-BPNCWPANSA-N -1 0 319.313 2.866 40 5 DFBBRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000013166251 181835567 /nfs/dbraw/zinc/83/55/67/181835567.db2.gz DCEXMPVTHHNHCX-UHFFFAOYSA-N -1 0 314.297 2.531 40 5 DFBBRM Cc1ccc(C2=N/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000059484462 184138911 /nfs/dbraw/zinc/13/89/11/184138911.db2.gz INFSGQYMJXHZLO-JYRVWZFOSA-N -1 0 324.292 2.953 40 5 DFBBRM O=C([O-])c1cn(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000216959623 304274143 /nfs/dbraw/zinc/27/41/43/304274143.db2.gz SICHJGLWSZEVLX-UHFFFAOYSA-N -1 0 310.265 2.936 40 5 DFBBRM O=C([O-])c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409204635 257220954 /nfs/dbraw/zinc/22/09/54/257220954.db2.gz CDFXVBAYGNGPDL-UHFFFAOYSA-N -1 0 301.254 2.650 40 5 DFBBRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000004244710 425618810 /nfs/dbraw/zinc/61/88/10/425618810.db2.gz PFNLZGOMWJVBHN-UHFFFAOYSA-N -1 0 320.326 2.517 40 5 DFBBRM Cc1ccccc1O[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000225125010 426595109 /nfs/dbraw/zinc/59/51/09/426595109.db2.gz NOUCTKXNAJCALZ-OAHLLOKOSA-N -1 0 301.298 2.978 40 5 DFBBRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000020139719 190645748 /nfs/dbraw/zinc/64/57/48/190645748.db2.gz GRULCZUVTGSMQI-UHFFFAOYSA-N -1 0 310.649 2.792 40 5 DFBBRM COc1c(OCc2ccccc2)ccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000095093043 193423036 /nfs/dbraw/zinc/42/30/36/193423036.db2.gz AWQSWWDWMMXFIH-UHFFFAOYSA-N -1 0 303.270 2.881 40 5 DFBBRM O=C([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000001689775 304249129 /nfs/dbraw/zinc/24/91/29/304249129.db2.gz YCUJRFCEUIPBKZ-UHFFFAOYSA-N -1 0 304.214 2.994 40 5 DFBBRM CCOC(=O)C=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008700385 425673248 /nfs/dbraw/zinc/67/32/48/425673248.db2.gz XJTZLTFXRMUYNO-UHFFFAOYSA-N -1 0 303.270 2.991 40 5 DFBBRM O=Cc1ccc(Sc2ncccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000016386050 425786129 /nfs/dbraw/zinc/78/61/29/425786129.db2.gz UWXGLUNEQPAEAR-UHFFFAOYSA-N -1 0 304.283 2.652 40 5 DFBBRM C[C@@H](OC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000005723131 181277333 /nfs/dbraw/zinc/27/73/33/181277333.db2.gz PPTUBSSINJWZBK-SWHYSGLUSA-N -1 0 319.313 2.866 40 5 DFBBRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005944023 181299172 /nfs/dbraw/zinc/29/91/72/181299172.db2.gz FWMZYGAEPXRDNX-NXEZZACHSA-N -1 0 324.720 2.854 40 5 DFBBRM O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000194639221 201266528 /nfs/dbraw/zinc/26/65/28/201266528.db2.gz LGSFIRXSJOIBAY-UHFFFAOYSA-N -1 0 320.252 2.730 40 5 DFBBRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000013094551 181827660 /nfs/dbraw/zinc/82/76/60/181827660.db2.gz ZBRDLIYCTIMSFK-UHFFFAOYSA-N -1 0 316.269 2.554 40 5 DFBBRM Cc1c(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000020141012 182191358 /nfs/dbraw/zinc/19/13/58/182191358.db2.gz HXHRQQYDNGTMNM-UHFFFAOYSA-N -1 0 316.269 2.559 40 5 DFBBRM NC(=O)c1ccc(Sc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000006926873 425631114 /nfs/dbraw/zinc/63/11/14/425631114.db2.gz ITDXLHBAUHFJOL-UHFFFAOYSA-N -1 0 318.310 2.543 40 5 DFBBRM O=C([O-])C[C@@H](NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000004581130 181126954 /nfs/dbraw/zinc/12/69/54/181126954.db2.gz UTZPECYTFKUDQW-LLVKDONJSA-N -1 0 320.326 2.602 40 5 DFBBRM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033413941 304212409 /nfs/dbraw/zinc/21/24/09/304212409.db2.gz VRHFXJYGMWICGF-UONOGXRCSA-N -1 0 313.265 2.675 40 5 DFBBRM Cc1c(C(=O)[O-])sc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000033418251 257129881 /nfs/dbraw/zinc/12/98/81/257129881.db2.gz URVQNGRXQFRHDO-UHFFFAOYSA-N -1 0 303.299 2.978 40 5 DFBBRM COc1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000314089029 257215239 /nfs/dbraw/zinc/21/52/39/257215239.db2.gz GTBXFWALBKCLLC-UHFFFAOYSA-N -1 0 302.286 2.914 40 5 DFBBRM O=C([O-])/C=C\C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1 ZINC000031647995 425835700 /nfs/dbraw/zinc/83/57/00/425835700.db2.gz ZTKDUXFMFYGBPZ-FPLPWBNLSA-N -1 0 309.277 2.526 40 5 DFBBRM COc1ccc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000225126291 426594415 /nfs/dbraw/zinc/59/44/15/426594415.db2.gz OPJXRZVJXQTCPB-HNNXBMFYSA-N -1 0 317.297 2.678 40 5 DFBBRM COc1cccc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000225126196 426594451 /nfs/dbraw/zinc/59/44/51/426594451.db2.gz BVBZJBUYQRHYEY-HNNXBMFYSA-N -1 0 317.297 2.678 40 5 DFBBRM COc1cc(OCc2ccccc2)c(CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000001727775 180892328 /nfs/dbraw/zinc/89/23/28/180892328.db2.gz LWNBRUJIFHTMSR-UHFFFAOYSA-N -1 0 317.297 2.810 40 5 DFBBRM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000005754067 181280591 /nfs/dbraw/zinc/28/05/91/181280591.db2.gz CBVRFFIUACXESD-UHFFFAOYSA-N -1 0 300.270 2.854 40 5 DFBBRM CCc1nnc(S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[O-])o1 ZINC000214860403 399206326 /nfs/dbraw/zinc/20/63/26/399206326.db2.gz AALQRAUNYYMLEA-YFHOEESVSA-N -1 0 321.314 2.758 40 5 DFBBRM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)oc(=O)c1ccccc12 ZINC000017324526 182083656 /nfs/dbraw/zinc/08/36/56/182083656.db2.gz HHGLRTMNBJCNJN-FPLPWBNLSA-N -1 0 309.277 2.526 40 5 in-vitro DFBBRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-] ZINC000020140971 182191811 /nfs/dbraw/zinc/19/18/11/182191811.db2.gz SHWOJSQTUMDMRH-UHFFFAOYSA-N -1 0 316.269 2.559 40 5 DFBBRM O=C([O-])c1cc(Br)cc(Br)c1[N+](=O)[O-] ZINC000002573852 304220815 /nfs/dbraw/zinc/22/08/15/304220815.db2.gz OMBRWZUUZWYLAP-UHFFFAOYSA-N -1 0 324.912 2.818 40 5 DFBBRM CC(=O)Oc1c(C(=O)[O-])cc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000057340114 184033886 /nfs/dbraw/zinc/03/38/86/184033886.db2.gz XAZFCAXAOCMGFL-UHFFFAOYSA-N -1 0 301.254 2.885 40 5 DFBBRM CC(C)N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O ZINC000409018079 257224255 /nfs/dbraw/zinc/22/42/55/257224255.db2.gz QPWAOHBTEJHGGT-UXBLZVDNSA-N -1 0 308.315 2.745 40 5 DFBBRM O=C([O-])c1cn(Cc2c(Cl)cccc2Cl)nc1[N+](=O)[O-] ZINC000408716383 257215364 /nfs/dbraw/zinc/21/53/64/257215364.db2.gz MKHOICDKHNXHAQ-UHFFFAOYSA-N -1 0 316.100 2.845 40 5 DFBBRM O=c1nc2n(-c3ccccc3Cl)c3ccccc3cc-2c(=O)[n-]1 ZINC000059484169 425898698 /nfs/dbraw/zinc/89/86/98/425898698.db2.gz BZSKGMDUZZJJBH-UHFFFAOYSA-N -1 0 323.739 2.832 40 5 DFBBRM O=C([O-])c1c(C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] ZINC000000033262 425530291 /nfs/dbraw/zinc/53/02/91/425530291.db2.gz KSNCLEDXWGDCGX-UHFFFAOYSA-N -1 0 304.233 2.684 40 5 DFBBRM Cc1cc(=O)n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)[n-]1 ZINC000000334326 425554546 /nfs/dbraw/zinc/55/45/46/425554546.db2.gz HOUDWKXATNEHKD-UHFFFAOYSA-N -1 0 302.315 2.831 40 5 DFBBRM O=c1c(Oc2ccc([N+](=O)[O-])cc2)coc2cc([O-])cc(O)c12 ZINC000011865789 425714792 /nfs/dbraw/zinc/71/47/92/425714792.db2.gz GUJUJIHIYJHVQC-UHFFFAOYSA-N -1 0 315.237 2.905 40 5 DFBBRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012030691 425716699 /nfs/dbraw/zinc/71/66/99/425716699.db2.gz BSUSOHXVRUFKQX-UHFFFAOYSA-N -1 0 300.270 2.854 40 5 DFBBRM Cc1ccc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000225125158 426595976 /nfs/dbraw/zinc/59/59/76/426595976.db2.gz NGWGEKSKBFQEBX-HNNXBMFYSA-N -1 0 301.298 2.978 40 5 DFBBRM