smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccncc1-c1noc(-c2cc([N+](=O)[O-])c([O-])cc2[O-])n1 ZINC001216751508 802021988 /nfs/dbraw/zinc/02/19/88/802021988.db2.gz WCHOWDYKABHKTC-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001611421804 971043578 /nfs/dbraw/zinc/04/35/78/971043578.db2.gz VKDDARHKGCZEIS-NSHDSACASA-N -2 0 322.317 2.160 20 5 DEBDRL CC(C)(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)[O-] ZINC001602861266 971719668 /nfs/dbraw/zinc/71/96/68/971719668.db2.gz PJQZHTLMQYUGPH-LLVKDONJSA-N -2 0 324.333 2.310 20 5 DEBDRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001595011979 951250947 /nfs/dbraw/zinc/25/09/47/951250947.db2.gz DMLUEDZKVRFFKQ-SNVBAGLBSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])C1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCCC1 ZINC001594721626 956974211 /nfs/dbraw/zinc/97/42/11/956974211.db2.gz QJSAMFBLHPJGTO-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL C[C@H](CC(=O)[O-])Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001604114154 1070228098 /nfs/dbraw/zinc/22/80/98/1070228098.db2.gz FEJRKPSFCZCYDR-RXMQYKEDSA-N -2 0 302.670 2.222 20 5 DEBDRL O=C([O-])C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC001601470762 1077399711 /nfs/dbraw/zinc/39/97/11/1077399711.db2.gz AKWLGGPMLQCGKR-UHFFFAOYSA-N -2 0 322.317 2.065 20 5 DEBDRL O=C([O-])C1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC2(CCC2)C1 ZINC001601704427 1077437472 /nfs/dbraw/zinc/43/74/72/1077437472.db2.gz OCCCRNHHCOLXMT-UHFFFAOYSA-N -2 0 320.301 2.274 20 5 DEBDRL O=C([O-])C1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000013469618 401799922 /nfs/dbraw/zinc/79/99/22/401799922.db2.gz OTRFFXYPPSQOGH-UHFFFAOYSA-N -2 0 308.290 2.274 20 5 DEBDRL Cc1cccc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])n2)n1 ZINC001216751294 802021423 /nfs/dbraw/zinc/02/14/23/802021423.db2.gz LBTNATWSLKTTDO-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL C[C@H](CN(C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C(=O)[O-] ZINC001592588649 978513862 /nfs/dbraw/zinc/51/38/62/978513862.db2.gz NUCNATKOLCCAIA-ZCFIWIBFSA-N -2 0 316.697 2.103 20 5 DEBDRL C[C@H]1CC[C@@](NC(=O)c2cccc([O-])c2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC001599907690 984944978 /nfs/dbraw/zinc/94/49/78/984944978.db2.gz LTBPPKHMCIDUIU-AZKDTHOKSA-N -2 0 322.317 2.064 20 5 DEBDRL CN(Cc1ccc(C(=O)[O-])cn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001598515070 992607845 /nfs/dbraw/zinc/60/78/45/992607845.db2.gz DIRPYNQMGXMSQI-UHFFFAOYSA-N -2 0 317.301 2.026 20 5 DEBDRL CC(C)[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001603983282 1070163121 /nfs/dbraw/zinc/16/31/21/1070163121.db2.gz HWPVQJXDQVFNBX-AGLBCWCQSA-N -2 0 308.290 2.214 20 5 DEBDRL C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC[C@@H]1C(=O)[O-] ZINC001604592258 1070440640 /nfs/dbraw/zinc/44/06/40/1070440640.db2.gz RFCKUGMHNFYHJU-BMIGLBTASA-N -2 0 322.317 2.064 20 5 DEBDRL Cc1cc(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237853 1077167468 /nfs/dbraw/zinc/16/74/68/1077167468.db2.gz AXZHHBMWVPXTHA-UWVGGRQHSA-N -2 0 322.317 2.291 20 5 DEBDRL Cn1nc([N-]c2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1C1CC1 ZINC001608151235 1077599587 /nfs/dbraw/zinc/59/95/87/1077599587.db2.gz HPHHQXSOWZZDBE-UHFFFAOYSA-N -2 0 303.278 2.043 20 5 DEBDRL O=C([O-])Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000579279243 356951369 /nfs/dbraw/zinc/95/13/69/356951369.db2.gz BTXRSAOTQKJDGX-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC=CCC1 ZINC000593921191 358173183 /nfs/dbraw/zinc/17/31/83/358173183.db2.gz RNRUAIQJHHRGTJ-AWEZNQCLSA-N -2 0 306.274 2.050 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000263165128 145331414 /nfs/dbraw/zinc/33/14/14/145331414.db2.gz PITKPFNWKFGXEJ-NSHDSACASA-N -2 0 322.317 2.160 20 5 DEBDRL CN(C(=O)[O-])c1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000827914498 603038362 /nfs/dbraw/zinc/03/83/62/603038362.db2.gz WTIFOCHMAGUESU-UHFFFAOYSA-N -2 0 305.246 2.256 20 5 DEBDRL C[C@H](CN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001592589186 978516912 /nfs/dbraw/zinc/51/69/12/978516912.db2.gz ZZBNMQYSCMGSCU-ZCFIWIBFSA-N -2 0 316.697 2.103 20 5 DEBDRL O=C([O-])c1coc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001602553372 1069674723 /nfs/dbraw/zinc/67/47/23/1069674723.db2.gz GGLPCAPJPHMTJZ-OWOJBTEDSA-N -2 0 304.214 2.150 20 5 DEBDRL Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC(C)(C)CCC(=O)[O-])n1 ZINC001607589488 1071485643 /nfs/dbraw/zinc/48/56/43/1071485643.db2.gz YQBMANIIOBRJIY-UHFFFAOYSA-N -2 0 311.294 2.052 20 5 DEBDRL O=C([O-])C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCC1 ZINC001608672354 1077674453 /nfs/dbraw/zinc/67/44/53/1077674453.db2.gz CPFZDMFFFUADQB-LLVKDONJSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])c1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001608949545 1077727381 /nfs/dbraw/zinc/72/73/81/1077727381.db2.gz ZHBPZDYFUSXNRT-UHFFFAOYSA-N -2 0 322.298 2.094 20 5 DEBDRL CC(C)C[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609693679 1077903509 /nfs/dbraw/zinc/90/35/09/1077903509.db2.gz ZFTZCCIKZQNRPE-JTQLQIEISA-N -2 0 310.306 2.452 20 5 DEBDRL O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)CCO4)c([O-])cc1[O-] ZINC001251088125 1142379198 /nfs/dbraw/zinc/37/91/98/1142379198.db2.gz WDOPEPGBZWBOTQ-UHFFFAOYSA-N -2 0 313.269 2.484 20 5 DEBDRL O=C([O-])Cc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436846184 405150990 /nfs/dbraw/zinc/15/09/90/405150990.db2.gz WUFKNDZDXMUTPP-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001594673474 956636736 /nfs/dbraw/zinc/63/67/36/956636736.db2.gz GRYHMGGGEVDEQP-UTCJRWHESA-N -2 0 318.241 2.244 20 5 DEBDRL O=C([O-])C1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC001605934939 972868379 /nfs/dbraw/zinc/86/83/79/972868379.db2.gz SFERHFLIAWORHH-UHFFFAOYSA-N -2 0 308.290 2.274 20 5 DEBDRL O=C([O-])CCC1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001606131791 973378627 /nfs/dbraw/zinc/37/86/27/973378627.db2.gz VGOLCDQDCWSZKZ-UHFFFAOYSA-N -2 0 322.317 2.017 20 5 DEBDRL C[C@@H](CN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001592589185 978516662 /nfs/dbraw/zinc/51/66/62/978516662.db2.gz ZZBNMQYSCMGSCU-LURJTMIESA-N -2 0 316.697 2.103 20 5 DEBDRL CC(C)(C)CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-] ZINC000449149987 240122895 /nfs/dbraw/zinc/12/28/95/240122895.db2.gz YKGVFRPXOQZKJC-JTQLQIEISA-N -2 0 324.333 2.310 20 5 DEBDRL O=C([O-])CCCCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000833224862 601593312 /nfs/dbraw/zinc/59/33/12/601593312.db2.gz CLKSJNOHFBXNIN-UHFFFAOYSA-N -2 0 310.306 2.065 20 5 DEBDRL O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[nH]n2)ccc1[O-] ZINC001593472901 1077006911 /nfs/dbraw/zinc/00/69/11/1077006911.db2.gz CFPRAZHBPZXIPZ-HNQUOIGGSA-N -2 0 310.273 2.046 20 5 DEBDRL Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])oc1C(=O)[O-] ZINC001600098156 1077136449 /nfs/dbraw/zinc/13/64/49/1077136449.db2.gz HHQOVSWPCCRCCD-UHFFFAOYSA-N -2 0 306.230 2.152 20 5 DEBDRL Cc1coc(CC(=O)[O-])c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001610543149 1078038380 /nfs/dbraw/zinc/03/83/80/1078038380.db2.gz PCSLMGCWOUETSQ-UHFFFAOYSA-N -2 0 320.257 2.081 20 5 DEBDRL O=C([O-])[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000595987372 358590819 /nfs/dbraw/zinc/59/08/19/358590819.db2.gz UROPWASQUWHLNP-GFCCVEGCSA-N -2 0 308.290 2.130 20 5 DEBDRL O=C([O-])c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000821545920 598158797 /nfs/dbraw/zinc/15/87/97/598158797.db2.gz LZRIKVQLFXBHSI-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])c1csc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000833342551 604321655 /nfs/dbraw/zinc/32/16/55/604321655.db2.gz DNLKJZQAMMPXDX-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001595249195 949537088 /nfs/dbraw/zinc/53/70/88/949537088.db2.gz TZMDPULPFNGWRE-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC001595012061 951252326 /nfs/dbraw/zinc/25/23/26/951252326.db2.gz JSTWGDFSWOFXES-SNVBAGLBSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC001606128746 973374843 /nfs/dbraw/zinc/37/48/43/973374843.db2.gz WLICIYMLBKZWDW-SNVBAGLBSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC001606128744 973375295 /nfs/dbraw/zinc/37/52/95/973375295.db2.gz WLICIYMLBKZWDW-JTQLQIEISA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001602380727 1069624361 /nfs/dbraw/zinc/62/43/61/1069624361.db2.gz XZLKQYUALQMNGJ-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])[C@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC=CCC1 ZINC001594870674 1077056465 /nfs/dbraw/zinc/05/64/65/1077056465.db2.gz VLZLVYCJVHVSAQ-CQSZACIVSA-N -2 0 306.274 2.050 20 5 DEBDRL Cc1cc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237881 1077167548 /nfs/dbraw/zinc/16/75/48/1077167548.db2.gz BZHLENZECRGHBC-SCZZXKLOSA-N -2 0 322.317 2.148 20 5 DEBDRL Cc1cc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238417 1077167756 /nfs/dbraw/zinc/16/77/56/1077167756.db2.gz KYBDQNUYPDIDJY-VHSXEESVSA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000263206117 145336096 /nfs/dbraw/zinc/33/60/96/145336096.db2.gz VXEZNSPVBVBDFP-JTQLQIEISA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000821538804 598221223 /nfs/dbraw/zinc/22/12/23/598221223.db2.gz UMMKHJTVDGRJCH-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC001606081296 973239834 /nfs/dbraw/zinc/23/98/34/973239834.db2.gz KCFNQDGDBNZGDM-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL O=C([O-])C1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCCC1 ZINC001610689429 1078063377 /nfs/dbraw/zinc/06/33/77/1078063377.db2.gz XTXFAPMDHSTFAA-UHFFFAOYSA-N -2 0 322.317 2.065 20 5 DEBDRL O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001610702673 1078064628 /nfs/dbraw/zinc/06/46/28/1078064628.db2.gz YMFARZXZBOWJJT-MNOVXSKESA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC001601596780 1077415815 /nfs/dbraw/zinc/41/58/15/1077415815.db2.gz PYWXNIYCCDRXFC-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=C([O-])/C=C/c1ccc(NCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001601882606 1077470065 /nfs/dbraw/zinc/47/00/65/1077470065.db2.gz JXELKQCXNGVFLV-FNORWQNLSA-N -2 0 308.290 2.359 20 5 DEBDRL O=C([O-])CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC001602052105 1077500253 /nfs/dbraw/zinc/50/02/53/1077500253.db2.gz XSMJRWZOYLRSRR-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000779677961 642524909 /nfs/dbraw/zinc/52/49/09/642524909.db2.gz ZFSMIUNZGIDFBD-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])n2)nc1 ZINC001216751355 802022124 /nfs/dbraw/zinc/02/21/24/802022124.db2.gz NWRBMGXXCKEULL-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL O=C([O-])c1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])o1 ZINC001610824339 1078082307 /nfs/dbraw/zinc/08/23/07/1078082307.db2.gz UIQUECGCGCYPHB-HNQUOIGGSA-N -2 0 304.214 2.150 20 5 DEBDRL O=C([O-])Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC001602126558 1077511878 /nfs/dbraw/zinc/51/18/78/1077511878.db2.gz XJDQLVXPXZCMCJ-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001261492224 1144252210 /nfs/dbraw/zinc/25/22/10/1144252210.db2.gz VOLRWBGTLZGRHS-UHFFFAOYSA-N -2 0 302.670 2.147 20 5 DEBDRL CC(C)(C)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s[n-]1 ZINC000436979890 405173773 /nfs/dbraw/zinc/17/37/73/405173773.db2.gz NLDRAANPPLKGHN-UHFFFAOYSA-N -2 0 322.346 2.124 20 5 DEBDRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001603312860 972611534 /nfs/dbraw/zinc/61/15/34/972611534.db2.gz TVQQNVHOSUPLTJ-UHFFFAOYSA-N -2 0 322.317 2.376 20 5 DEBDRL O=C([O-])c1ccsc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001601635627 1077421437 /nfs/dbraw/zinc/42/14/37/1077421437.db2.gz WWMIFYBUSKSOTF-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC001602051543 1077499773 /nfs/dbraw/zinc/49/97/73/1077499773.db2.gz YCWNLPBKACLQKO-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001608622988 1077665748 /nfs/dbraw/zinc/66/57/48/1077665748.db2.gz JIMVCSCVECBQKU-ZJUUUORDSA-N -2 0 323.301 2.235 20 5 DEBDRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000436677504 405122723 /nfs/dbraw/zinc/12/27/23/405122723.db2.gz CZUQVPWASXVZDH-UHFFFAOYSA-N -2 0 316.269 2.461 20 5 DEBDRL C[C@@](COC(=O)c1ccc([N+](=O)[O-])[n-]1)(C(=O)[O-])c1ccccc1 ZINC001592772373 979391027 /nfs/dbraw/zinc/39/10/27/979391027.db2.gz OLTTXZPLKWVLNP-HNNXBMFYSA-N -2 0 318.285 2.122 20 5 DEBDRL Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCC(C(=O)[O-])CC2)n1 ZINC001610436812 1078020026 /nfs/dbraw/zinc/02/00/26/1078020026.db2.gz FEKAQQDPQWCWSX-UHFFFAOYSA-N -2 0 323.305 2.052 20 5 DEBDRL C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCC[C@H]1C(=O)[O-] ZINC000833568584 605571223 /nfs/dbraw/zinc/57/12/23/605571223.db2.gz ZJXQAQIAWMVKFL-XHDPSFHLSA-N -2 0 322.317 2.064 20 5 DEBDRL CC(C)(C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-] ZINC001602860555 971715866 /nfs/dbraw/zinc/71/58/66/971715866.db2.gz DTZUASJWMPVQDG-NSHDSACASA-N -2 0 324.333 2.310 20 5 DEBDRL O=C([O-])C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC001601905844 1077474381 /nfs/dbraw/zinc/47/43/81/1077474381.db2.gz NOIOFSXNNGPKEH-NSHDSACASA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000262941917 304063662 /nfs/dbraw/zinc/06/36/62/304063662.db2.gz CKICJDKKKIPKML-SNVBAGLBSA-N -2 0 322.317 2.017 20 5 DEBDRL Cc1[nH]c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001599954394 985662107 /nfs/dbraw/zinc/66/21/07/985662107.db2.gz CZYYVNREZQBKDL-UHFFFAOYSA-N -2 0 319.273 2.196 20 5 DEBDRL O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC001601394444 1077388925 /nfs/dbraw/zinc/38/89/25/1077388925.db2.gz ZVPFXDKBJCXJFX-ZDUSSCGKSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC001601905843 1077474362 /nfs/dbraw/zinc/47/43/62/1077474362.db2.gz NOIOFSXNNGPKEH-LLVKDONJSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000595282889 358411892 /nfs/dbraw/zinc/41/18/92/358411892.db2.gz RRHOKGZNCLVFRL-UHFFFAOYSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000834154141 605712666 /nfs/dbraw/zinc/71/26/66/605712666.db2.gz OVSKEUOHGQPMMG-UHFFFAOYSA-N -2 0 323.305 2.209 20 5 DEBDRL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1[N+](=O)[O-] ZINC001174503777 794003327 /nfs/dbraw/zinc/00/33/27/794003327.db2.gz XMKNXSZBKWAQRC-UHFFFAOYSA-N -2 0 310.653 2.186 20 5 DEBDRL O=C([O-])CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001602051454 971131032 /nfs/dbraw/zinc/13/10/32/971131032.db2.gz OJTMMGOVIDVPQD-UHFFFAOYSA-N -2 0 316.269 2.032 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001595015242 1077057946 /nfs/dbraw/zinc/05/79/46/1077057946.db2.gz PFQTXURVTFDKMA-JTQLQIEISA-N -2 0 322.317 2.017 20 5 DEBDRL Cc1cc(C(=O)[O-])oc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001600133369 1077143482 /nfs/dbraw/zinc/14/34/82/1077143482.db2.gz YWJCLYBMWFMUEC-UHFFFAOYSA-N -2 0 306.230 2.152 20 5 DEBDRL O=C([O-])c1cc(F)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001602271215 1077539125 /nfs/dbraw/zinc/53/91/25/1077539125.db2.gz IAMYLRNNFXQDSK-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[nH]n3)cn2)cc1[O-] ZINC001609601748 1077882098 /nfs/dbraw/zinc/88/20/98/1077882098.db2.gz YGLBCLYETYCCBW-DAFODLJHSA-N -2 0 310.273 2.046 20 5 DEBDRL C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@@H]1CCCCN1C(=O)[O-] ZINC000825601770 604117198 /nfs/dbraw/zinc/11/71/98/604117198.db2.gz CAHUDYYMVPIGHS-WPRPVWTQSA-N -2 0 311.294 2.001 20 5 DEBDRL C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833568582 605571488 /nfs/dbraw/zinc/57/14/88/605571488.db2.gz ZJXQAQIAWMVKFL-IAQYHMDHSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755617493 639569687 /nfs/dbraw/zinc/56/96/87/639569687.db2.gz ZPTRZOJSYDHJGP-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL Cc1ncccc1-c1noc(-c2cc([N+](=O)[O-])c([O-])cc2[O-])n1 ZINC001216751431 802022134 /nfs/dbraw/zinc/02/21/34/802022134.db2.gz RUXRFYHAPCMSSE-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL Cc1cccnc1-c1noc(-c2cc([N+](=O)[O-])c([O-])cc2[O-])n1 ZINC001216751065 802022161 /nfs/dbraw/zinc/02/21/61/802022161.db2.gz FGSPOHVWKRWKHC-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL O=C([O-])Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001595137309 952062707 /nfs/dbraw/zinc/06/27/07/952062707.db2.gz WGBDKDBBDZSLHQ-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC001595132628 979557674 /nfs/dbraw/zinc/55/76/74/979557674.db2.gz AJXAVIGEMZHDLP-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1(C(=O)[O-])CCCCC1 ZINC001598078965 990390379 /nfs/dbraw/zinc/39/03/79/990390379.db2.gz NHYWQWPSBDBMGF-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL C[C@H](CC(=O)[O-])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001604095841 1070212536 /nfs/dbraw/zinc/21/25/36/1070212536.db2.gz VCJGYXMYKLKIGY-RXMQYKEDSA-N -2 0 302.670 2.003 20 5 DEBDRL C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC[C@@H]1C(=O)[O-] ZINC001604592262 1070440864 /nfs/dbraw/zinc/44/08/64/1070440864.db2.gz RFCKUGMHNFYHJU-MEBBXXQBSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC001610689352 1078063546 /nfs/dbraw/zinc/06/35/46/1078063546.db2.gz SGXVOESERQTSCF-UHFFFAOYSA-N -2 0 322.317 2.065 20 5 DEBDRL Cc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001610475426 1078027009 /nfs/dbraw/zinc/02/70/09/1078027009.db2.gz GDUNXJMFDXETMD-DTWKUNHWSA-N -2 0 308.290 2.267 20 5 DEBDRL O=C([O-])CC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCC1 ZINC000595998471 358592024 /nfs/dbraw/zinc/59/20/24/358592024.db2.gz DLDQYDNENVCCFB-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000314564425 145357860 /nfs/dbraw/zinc/35/78/60/145357860.db2.gz MTYDDTJOTANCHM-UHFFFAOYSA-N -2 0 324.314 2.115 20 5 DEBDRL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000753975695 639368478 /nfs/dbraw/zinc/36/84/78/639368478.db2.gz HJTCORUTGPTGRJ-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL CC(C)(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001590693326 990407665 /nfs/dbraw/zinc/40/76/65/990407665.db2.gz IFXOQFHMEXYOQU-UHFFFAOYSA-N -2 0 310.306 2.135 20 5 DEBDRL O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCCC1 ZINC001610683830 1078062702 /nfs/dbraw/zinc/06/27/02/1078062702.db2.gz PHGNBEMOYWYHPK-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL O=C([O-])c1ccc(F)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001610831756 1078083419 /nfs/dbraw/zinc/08/34/19/1078083419.db2.gz AARUTOSEQFIONV-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL CC(C)Cc1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2[O-])s[n-]1 ZINC000598192758 359118845 /nfs/dbraw/zinc/11/88/45/359118845.db2.gz YGRZHVNGTWYUIV-UHFFFAOYSA-N -2 0 322.346 2.025 20 5 DEBDRL O=C([O-])C1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000833772270 604819044 /nfs/dbraw/zinc/81/90/44/604819044.db2.gz NQYZFUGNWXARCU-UHFFFAOYSA-N -2 0 308.290 2.130 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC001608902738 1077718205 /nfs/dbraw/zinc/71/82/05/1077718205.db2.gz FTQAXJAQNQMVLK-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC001608935062 1077724292 /nfs/dbraw/zinc/72/42/92/1077724292.db2.gz DUGCHHACKDPAHA-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL CC(C)(C)c1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2[O-])s[n-]1 ZINC000436969977 405171049 /nfs/dbraw/zinc/17/10/49/405171049.db2.gz JZWLSKVOOJDKRG-UHFFFAOYSA-N -2 0 322.346 2.124 20 5 DEBDRL O=C([O-])NC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000834167621 605712600 /nfs/dbraw/zinc/71/26/00/605712600.db2.gz CQEVIDWGFLPYPM-UHFFFAOYSA-N -2 0 323.305 2.065 20 5 DEBDRL O=C([O-])/C=C\c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])co1 ZINC001594967865 955075309 /nfs/dbraw/zinc/07/53/09/955075309.db2.gz HALSOHHASYXQEE-RQOWECAXSA-N -2 0 318.241 2.244 20 5 DEBDRL O=C([O-])c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000001511785 956862948 /nfs/dbraw/zinc/86/29/48/956862948.db2.gz KFWFOZBUJYFOJX-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL C[C@H]1CC[C@@](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])(C(=O)[O-])CC1 ZINC001599907528 984941946 /nfs/dbraw/zinc/94/19/46/984941946.db2.gz GPMIIOXLWMRCFF-AZKDTHOKSA-N -2 0 322.317 2.064 20 5 DEBDRL CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1(C(=O)[O-])CCCCC1 ZINC001598087617 990418626 /nfs/dbraw/zinc/41/86/26/990418626.db2.gz FEALNAGXKNTWFT-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1nocc1C(=O)[O-] ZINC001590871252 990777047 /nfs/dbraw/zinc/77/70/47/990777047.db2.gz KBJJDOQQOMIEMN-UHFFFAOYSA-N -2 0 321.289 2.012 20 5 DEBDRL Cc1cc(N2C[C@H](C(=O)[O-])CC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237852 1077167713 /nfs/dbraw/zinc/16/77/13/1077167713.db2.gz AXZHHBMWVPXTHA-NXEZZACHSA-N -2 0 322.317 2.291 20 5 DEBDRL O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001608622986 1077665796 /nfs/dbraw/zinc/66/57/96/1077665796.db2.gz JIMVCSCVECBQKU-UWVGGRQHSA-N -2 0 323.301 2.235 20 5 DEBDRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314433464 145357568 /nfs/dbraw/zinc/35/75/68/145357568.db2.gz GSDYHEABWZOYHV-UHFFFAOYSA-N -2 0 324.314 2.115 20 5 DEBDRL CC(C)(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)[O-] ZINC001602861267 971719598 /nfs/dbraw/zinc/71/95/98/971719598.db2.gz PJQZHTLMQYUGPH-NSHDSACASA-N -2 0 324.333 2.310 20 5 DEBDRL O=C([O-])c1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])o1 ZINC001610824345 1078082118 /nfs/dbraw/zinc/08/21/18/1078082118.db2.gz UIQUECGCGCYPHB-IWQZZHSRSA-N -2 0 304.214 2.150 20 5 DEBDRL Cc1cc(NC2(CC(=O)[O-])CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600279835 1077175542 /nfs/dbraw/zinc/17/55/42/1077175542.db2.gz QLPPGESCWUFZCZ-UHFFFAOYSA-N -2 0 308.290 2.411 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC001601598913 1077416589 /nfs/dbraw/zinc/41/65/89/1077416589.db2.gz DKJLLEFUNLBIFV-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001601977187 1077486781 /nfs/dbraw/zinc/48/67/81/1077486781.db2.gz LVHSEPOUPKZQQE-JTQLQIEISA-N -2 0 322.317 2.017 20 5 DEBDRL Cc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000316293443 356428481 /nfs/dbraw/zinc/42/84/81/356428481.db2.gz YUIKXAJPNNXDTM-UHFFFAOYSA-N -2 0 324.314 2.115 20 5 DEBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1[N+](=O)[O-] ZINC000348477699 146276079 /nfs/dbraw/zinc/27/60/79/146276079.db2.gz RDBGIBOUZCHHFJ-UHFFFAOYSA-N -2 0 322.298 2.094 20 5 DEBDRL COc1cc(/C=C(/C(=O)[O-])c2ccncc2)cc([N+](=O)[O-])c1[O-] ZINC000737869912 599831058 /nfs/dbraw/zinc/83/10/58/599831058.db2.gz CBGFAHQIWKNZMN-IZZDOVSWSA-N -2 0 316.269 2.329 20 5 DEBDRL Cc1cncc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])n2)c1 ZINC001216751399 802022169 /nfs/dbraw/zinc/02/21/69/802022169.db2.gz QDCYVKQUSVEXHK-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001595053470 979287072 /nfs/dbraw/zinc/28/70/72/979287072.db2.gz ROWGNHASBHWBPQ-UHFFFAOYSA-N -2 0 310.306 2.064 20 5 DEBDRL Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238416 1077167436 /nfs/dbraw/zinc/16/74/36/1077167436.db2.gz KYBDQNUYPDIDJY-UWVGGRQHSA-N -2 0 322.317 2.148 20 5 DEBDRL Cc1cc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600237436 1077167574 /nfs/dbraw/zinc/16/75/74/1077167574.db2.gz ALYFAGILYMKYHY-LDYMZIIASA-N -2 0 322.317 2.148 20 5 DEBDRL Cc1cc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238419 1077167724 /nfs/dbraw/zinc/16/77/24/1077167724.db2.gz KYBDQNUYPDIDJY-ZJUUUORDSA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])CCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001601993041 1077490904 /nfs/dbraw/zinc/49/09/04/1077490904.db2.gz ZXILWZJQPRKURK-UHFFFAOYSA-N -2 0 302.670 2.223 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC001595249014 949533633 /nfs/dbraw/zinc/53/36/33/949533633.db2.gz KUOLJQCXLHMUTK-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001606516731 1071158384 /nfs/dbraw/zinc/15/83/84/1071158384.db2.gz BJWVMBAUQLDBEL-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC001608509484 1077648161 /nfs/dbraw/zinc/64/81/61/1077648161.db2.gz YKOZQRKCYNUZRD-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000834170929 605712632 /nfs/dbraw/zinc/71/26/32/605712632.db2.gz WLMIKPMOYBNVLG-DTWKUNHWSA-N -2 0 323.305 2.065 20 5 DEBDRL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc([O-])c1[N+](=O)[O-] ZINC000798300381 644998567 /nfs/dbraw/zinc/99/85/67/644998567.db2.gz CXGWUYDHNQFBPD-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC001595012060 951252517 /nfs/dbraw/zinc/25/25/17/951252517.db2.gz JSTWGDFSWOFXES-JTQLQIEISA-N -2 0 322.317 2.160 20 5 DEBDRL C[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001592728599 979238277 /nfs/dbraw/zinc/23/82/77/979238277.db2.gz DZZGSXVRVPYTLD-RXMQYKEDSA-N -2 0 302.670 2.079 20 5 DEBDRL O=C([O-])c1ccsc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001610712885 1078065023 /nfs/dbraw/zinc/06/50/23/1078065023.db2.gz CJTRIZRSHRQGHY-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])CN(CCC(F)(F)F)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001602053725 1077500589 /nfs/dbraw/zinc/50/05/89/1077500589.db2.gz OZWFTPWVCWRGOI-UHFFFAOYSA-N -2 0 322.239 2.139 20 5 DEBDRL O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[nH]n3)cn2)cc1[O-] ZINC001609601749 1077882609 /nfs/dbraw/zinc/88/26/09/1077882609.db2.gz YGLBCLYETYCCBW-RJRFIUFISA-N -2 0 310.273 2.046 20 5 DEBDRL O=C([O-])C1(CC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])CCCC1 ZINC000293426713 403469179 /nfs/dbraw/zinc/46/91/79/403469179.db2.gz SAPSNYZZNSERMJ-UHFFFAOYSA-N -2 0 308.290 2.274 20 5 DEBDRL COc1cc(/C=C(\C(=O)[O-])c2ccncc2)cc([N+](=O)[O-])c1[O-] ZINC000737869914 599830955 /nfs/dbraw/zinc/83/09/55/599830955.db2.gz CBGFAHQIWKNZMN-WDZFZDKYSA-N -2 0 316.269 2.329 20 5 DEBDRL C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@H]1CCCCN1C(=O)[O-] ZINC000825601768 604117172 /nfs/dbraw/zinc/11/71/72/604117172.db2.gz CAHUDYYMVPIGHS-WCBMZHEXSA-N -2 0 311.294 2.001 20 5 DEBDRL O=C([O-])Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000833775178 605562546 /nfs/dbraw/zinc/56/25/46/605562546.db2.gz AKXSHPGDOHGNQW-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])c1csc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000833784619 605718711 /nfs/dbraw/zinc/71/87/11/605718711.db2.gz FIXHCKHRXWYOLR-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc([N+](=O)[O-])cc1[O-] ZINC000773496626 641787136 /nfs/dbraw/zinc/78/71/36/641787136.db2.gz LNPOFIYDIYHCFG-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL O=[N+]([O-])c1cc(Nc2cccc(S(=O)(=O)[O-])c2)ccc1[O-] ZINC001210395235 801390525 /nfs/dbraw/zinc/39/05/25/801390525.db2.gz SBAYXTFFZSYEIN-UHFFFAOYSA-N -2 0 310.287 2.291 20 5 DEBDRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001611426033 971049057 /nfs/dbraw/zinc/04/90/57/971049057.db2.gz PCDWRHFKZPOONV-SNVBAGLBSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001606128569 973373222 /nfs/dbraw/zinc/37/32/22/973373222.db2.gz NPMMRDGEMKKIHZ-JTQLQIEISA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC001602126512 1077511850 /nfs/dbraw/zinc/51/18/50/1077511850.db2.gz SYUKPKLEZFKREI-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL Cc1cc(C)c([N+](=O)[O-])c(C)c1NCCOP(=O)([O-])[O-] ZINC001168591234 1084098277 /nfs/dbraw/zinc/09/82/77/1084098277.db2.gz KNKREQJACKHANR-UHFFFAOYSA-N -2 0 304.239 2.041 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000263225430 304059575 /nfs/dbraw/zinc/05/95/75/304059575.db2.gz ZXZFUMMMGYULDK-NSHDSACASA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000263165127 145331500 /nfs/dbraw/zinc/33/15/00/145331500.db2.gz PITKPFNWKFGXEJ-LLVKDONJSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncccc1[O-] ZINC000351781957 403915103 /nfs/dbraw/zinc/91/51/03/403915103.db2.gz WKLBPVNBZFHJIJ-UHFFFAOYSA-N -2 0 309.665 2.307 20 5 DEBDRL CC(C)(C)c1nc(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])s[n-]1 ZINC000436774683 405137048 /nfs/dbraw/zinc/13/70/48/405137048.db2.gz BRUDTWBRRBVJCS-UHFFFAOYSA-N -2 0 322.346 2.124 20 5 DEBDRL CCCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000829333921 604303542 /nfs/dbraw/zinc/30/35/42/604303542.db2.gz VAWRLJCTRQHXPJ-SNVBAGLBSA-N -2 0 310.306 2.064 20 5 DEBDRL O=[N+]([O-])c1cc(-c2nc(-c3cc(F)ccn3)no2)c([O-])cc1[O-] ZINC001216751291 802021733 /nfs/dbraw/zinc/02/17/33/802021733.db2.gz KXRUTAJGCRIIQA-UHFFFAOYSA-N -2 0 318.220 2.257 20 5 DEBDRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001611421803 971043061 /nfs/dbraw/zinc/04/30/61/971043061.db2.gz VKDDARHKGCZEIS-LLVKDONJSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])Cc1ccc(NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001610792485 1078076674 /nfs/dbraw/zinc/07/66/74/1078076674.db2.gz NMQSGXXTUJBBJD-UHFFFAOYSA-N -2 0 322.317 2.277 20 5 DEBDRL O=C([O-])Cc1ccc(NC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC001608780491 1077694513 /nfs/dbraw/zinc/69/45/13/1077694513.db2.gz MTZMQBNFBSOFGD-LLVKDONJSA-N -2 0 322.317 2.135 20 5 DEBDRL O=C([O-])[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000595987373 358590770 /nfs/dbraw/zinc/59/07/70/358590770.db2.gz UROPWASQUWHLNP-LBPRGKRZSA-N -2 0 308.290 2.130 20 5 DEBDRL O=C([O-])Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000571241020 406494882 /nfs/dbraw/zinc/49/48/82/406494882.db2.gz UBEWWKPMLJPNPE-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC001595068272 951577412 /nfs/dbraw/zinc/57/74/12/951577412.db2.gz MNZMAXAKGVHRFS-UHFFFAOYSA-N -2 0 316.269 2.032 20 5 DEBDRL Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600239621 1077168278 /nfs/dbraw/zinc/16/82/78/1077168278.db2.gz ABNQWVZNGLWNIY-JTQLQIEISA-N -2 0 322.317 2.293 20 5 DEBDRL Cc1cc(NCC2(C(=O)[O-])CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279215 1077175264 /nfs/dbraw/zinc/17/52/64/1077175264.db2.gz DNRKHKSSTXDAFK-UHFFFAOYSA-N -2 0 308.290 2.268 20 5 DEBDRL C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001609782390 1077923277 /nfs/dbraw/zinc/92/32/77/1077923277.db2.gz YKSUQUFSQNGJMJ-SSDOTTSWSA-N -2 0 323.330 2.306 20 5 DEBDRL C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@H]1CCCCN1C(=O)[O-] ZINC000825601764 604117445 /nfs/dbraw/zinc/11/74/45/604117445.db2.gz CAHUDYYMVPIGHS-PSASIEDQSA-N -2 0 311.294 2.001 20 5 DEBDRL O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000834170927 605712739 /nfs/dbraw/zinc/71/27/39/605712739.db2.gz WLMIKPMOYBNVLG-BDAKNGLRSA-N -2 0 323.305 2.065 20 5 DEBDRL Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238415 1077167639 /nfs/dbraw/zinc/16/76/39/1077167639.db2.gz KYBDQNUYPDIDJY-NXEZZACHSA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1F ZINC001602284824 1077541989 /nfs/dbraw/zinc/54/19/89/1077541989.db2.gz HBABBYNKFHGNDU-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL CC(C)C[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609693680 1077903291 /nfs/dbraw/zinc/90/32/91/1077903291.db2.gz ZFTZCCIKZQNRPE-SNVBAGLBSA-N -2 0 310.306 2.452 20 5 DEBDRL CC(C)(C)c1ccc(NCCOP(=O)([O-])[O-])c([N+](=O)[O-])c1 ZINC001168591841 1084098953 /nfs/dbraw/zinc/09/89/53/1084098953.db2.gz FMPDTJLCELJVKJ-UHFFFAOYSA-N -2 0 318.266 2.414 20 5 DEBDRL O=[N+]([O-])c1cc(NCCOP(=O)([O-])[O-])cc2ccccc21 ZINC001168596328 1084115116 /nfs/dbraw/zinc/11/51/16/1084115116.db2.gz TZNGAZLBTPWAMY-UHFFFAOYSA-N -2 0 312.218 2.269 20 5 DEBDRL O=C([O-])[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000595987376 358590641 /nfs/dbraw/zinc/59/06/41/358590641.db2.gz USFWTRHRTOYJLO-SECBINFHSA-N -2 0 314.681 2.003 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000262941916 145312759 /nfs/dbraw/zinc/31/27/59/145312759.db2.gz CKICJDKKKIPKML-JTQLQIEISA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000821525047 598221211 /nfs/dbraw/zinc/22/12/11/598221211.db2.gz WZDUPBFKBGYRGN-UHFFFAOYSA-N -2 0 316.269 2.032 20 5 DEBDRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001589604830 949235684 /nfs/dbraw/zinc/23/56/84/949235684.db2.gz MFXLLLCMNXYJJD-OAHLLOKOSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])Cc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001595136947 952060403 /nfs/dbraw/zinc/06/04/03/952060403.db2.gz HODYCLNLLIAAKZ-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])/C=C/c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])co1 ZINC001594967864 955074756 /nfs/dbraw/zinc/07/47/56/955074756.db2.gz HALSOHHASYXQEE-DUXPYHPUSA-N -2 0 318.241 2.244 20 5 DEBDRL O=C([O-])c1ccc(F)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001602364999 1069620534 /nfs/dbraw/zinc/62/05/34/1069620534.db2.gz SMAYFTTVABVLOX-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL Cc1ccc(C(=O)[O-])cc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001607737057 1071540740 /nfs/dbraw/zinc/54/07/40/1071540740.db2.gz CLOLMJKJSDRCMT-UHFFFAOYSA-N -2 0 304.258 2.287 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC001610849396 1078086126 /nfs/dbraw/zinc/08/61/26/1078086126.db2.gz SJKWWALAOYLMIB-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC001602284462 1077542047 /nfs/dbraw/zinc/54/20/47/1077542047.db2.gz FTXSDMVZXYFSRA-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL Cc1cc(Cl)c(NCCOP(=O)([O-])[O-])c([N+](=O)[O-])c1 ZINC001168592925 1084104839 /nfs/dbraw/zinc/10/48/39/1084104839.db2.gz CHGPLUWJQCYPRV-UHFFFAOYSA-N -2 0 310.630 2.078 20 5 DEBDRL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024100924 354063389 /nfs/dbraw/zinc/06/33/89/354063389.db2.gz JPUYQHOENALGAJ-UHFFFAOYSA-N -2 0 324.314 2.110 20 5 DEBDRL C[C@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC[C@@H]1C(=O)[O-] ZINC001594056347 997797399 /nfs/dbraw/zinc/79/73/99/997797399.db2.gz PUMPQRQYYXQEKE-BMIGLBTASA-N -2 0 322.317 2.064 20 5 DEBDRL C[C@H]1CC[C@@](NC(=O)c2cccc([N+](=O)[O-])c2[O-])(C(=O)[O-])CC1 ZINC001607463931 1071449971 /nfs/dbraw/zinc/44/99/71/1071449971.db2.gz QPIPJQJWKZVHNY-AZKDTHOKSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001610805282 1078078972 /nfs/dbraw/zinc/07/89/72/1078078972.db2.gz NQYZFUGNWXARCU-KYZUINATSA-N -2 0 308.290 2.130 20 5 DEBDRL Cc1cc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600237430 1077167552 /nfs/dbraw/zinc/16/75/52/1077167552.db2.gz ALYFAGILYMKYHY-GZMMTYOYSA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCCC1 ZINC000596000285 358592036 /nfs/dbraw/zinc/59/20/36/358592036.db2.gz VYUBLJGOJZQNMS-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL O=C([O-])CCCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000833224854 604368715 /nfs/dbraw/zinc/36/87/15/604368715.db2.gz CCHCKKHGLKZLCP-UHFFFAOYSA-N -2 0 310.306 2.065 20 5 DEBDRL O=C([O-])Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000834262363 605997793 /nfs/dbraw/zinc/99/77/93/605997793.db2.gz NJJCFMKEFJGOPD-UHFFFAOYSA-N -2 0 318.245 2.038 20 5 DEBDRL COc1cc(CNc2cncc(C(=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC001599419250 997566062 /nfs/dbraw/zinc/56/60/62/997566062.db2.gz ZYFATEAWJURJPJ-UHFFFAOYSA-N -2 0 319.273 2.014 20 5 DEBDRL O=C([O-])c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001602621026 1069706295 /nfs/dbraw/zinc/70/62/95/1069706295.db2.gz BKLNQZDSZBIKPL-UHFFFAOYSA-N -2 0 310.649 2.494 20 5 DEBDRL CC(C)Cc1nc(=NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s[n-]1 ZINC000598191609 359118828 /nfs/dbraw/zinc/11/88/28/359118828.db2.gz PVWNECVCUKOIQZ-UHFFFAOYSA-N -2 0 322.346 2.025 20 5 DEBDRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436979344 405174498 /nfs/dbraw/zinc/17/44/98/405174498.db2.gz LMEJMQYFXXRNIC-UHFFFAOYSA-N -2 0 316.269 2.461 20 5 DEBDRL C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@@H]1CCCCN1C(=O)[O-] ZINC000825601766 604117301 /nfs/dbraw/zinc/11/73/01/604117301.db2.gz CAHUDYYMVPIGHS-SCZZXKLOSA-N -2 0 311.294 2.001 20 5 DEBDRL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000776200611 642142917 /nfs/dbraw/zinc/14/29/17/642142917.db2.gz VLZJGFIAGVUPHR-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001606128570 973373703 /nfs/dbraw/zinc/37/37/03/973373703.db2.gz NPMMRDGEMKKIHZ-SNVBAGLBSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001610706945 1078064595 /nfs/dbraw/zinc/06/45/95/1078064595.db2.gz PZNALTCUJSSYHE-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=P([O-])([O-])OCCNc1cc2cccnc2c2ncccc12 ZINC001168592343 1084101042 /nfs/dbraw/zinc/10/10/42/1084101042.db2.gz RAUWJWVCYODJQK-UHFFFAOYSA-N -2 0 319.257 2.304 20 5 DEBDRL CC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000436678726 405122744 /nfs/dbraw/zinc/12/27/44/405122744.db2.gz HQCYUCIYZOUEKL-UHFFFAOYSA-N -2 0 316.269 2.461 20 5 DEBDRL C[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001592728600 979238036 /nfs/dbraw/zinc/23/80/36/979238036.db2.gz DZZGSXVRVPYTLD-YFKPBYRVSA-N -2 0 302.670 2.079 20 5 DEBDRL O=C([O-])C1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCCC1 ZINC001610683780 1078063026 /nfs/dbraw/zinc/06/30/26/1078063026.db2.gz CNQLECYDFBDTCK-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001601977188 1077486625 /nfs/dbraw/zinc/48/66/25/1077486625.db2.gz LVHSEPOUPKZQQE-SNVBAGLBSA-N -2 0 322.317 2.017 20 5 DEBDRL O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccccc1O ZINC000133393735 401884000 /nfs/dbraw/zinc/88/40/00/401884000.db2.gz UISFTDPMGPMATC-UHFFFAOYSA-N -2 0 322.342 2.285 20 5 DEBDRL O=C([O-])Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000821537845 597652195 /nfs/dbraw/zinc/65/21/95/597652195.db2.gz LBRDPEKYXXELFN-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])Nc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000834262764 605858240 /nfs/dbraw/zinc/85/82/40/605858240.db2.gz RSAVACMRPPRFLD-UHFFFAOYSA-N -2 0 318.245 2.038 20 5 DEBDRL C[C@@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC[C@@H]1C(=O)[O-] ZINC001594056349 997797253 /nfs/dbraw/zinc/79/72/53/997797253.db2.gz PUMPQRQYYXQEKE-MEBBXXQBSA-N -2 0 322.317 2.064 20 5 DEBDRL C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC[C@H]1C(=O)[O-] ZINC001604592265 1070440177 /nfs/dbraw/zinc/44/01/77/1070440177.db2.gz RFCKUGMHNFYHJU-ZUZCIYMTSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC001610793399 1078077228 /nfs/dbraw/zinc/07/72/28/1078077228.db2.gz ULQNYOXIKZZTCM-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[nH]n2)ccc1[O-] ZINC001593472902 1077006969 /nfs/dbraw/zinc/00/69/69/1077006969.db2.gz CFPRAZHBPZXIPZ-IWQZZHSRSA-N -2 0 310.273 2.046 20 5 DEBDRL O=C([O-])CCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001608711067 1077682801 /nfs/dbraw/zinc/68/28/01/1077682801.db2.gz FDGMCJOAOVUUDF-UHFFFAOYSA-N -2 0 310.306 2.065 20 5 DEBDRL O=C([O-])CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001608743754 1077688131 /nfs/dbraw/zinc/68/81/31/1077688131.db2.gz MDRKZBDCXKTLFJ-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL CCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-] ZINC000829333619 601760583 /nfs/dbraw/zinc/76/05/83/601760583.db2.gz RHXZKOKBKVRBQP-SNVBAGLBSA-N -2 0 310.306 2.064 20 5 DEBDRL O=C([O-])Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000833265874 604928178 /nfs/dbraw/zinc/92/81/78/604928178.db2.gz HFIMTZKTZJVDDL-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])N1CC[C@@H](N(Cc2cc([O-])ccc2[N+](=O)[O-])C2CC2)C1 ZINC000834080791 605620244 /nfs/dbraw/zinc/62/02/44/605620244.db2.gz AUKWEFHBXUJOTF-GFCCVEGCSA-N -2 0 321.333 2.017 20 5 DEBDRL Cc1ccnc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])n2)c1 ZINC001216751056 802021858 /nfs/dbraw/zinc/02/18/58/802021858.db2.gz DWLZHNPYUSWZQT-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(=O)[O-] ZINC001588894533 962226135 /nfs/dbraw/zinc/22/61/35/962226135.db2.gz LIMWPWCQOVBAQG-JTQLQIEISA-N -2 0 324.333 2.167 20 5 DEBDRL C[C@H](CC(=O)[O-])Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592418093 978020370 /nfs/dbraw/zinc/02/03/70/978020370.db2.gz GCLIVBOMKPVPRH-RXMQYKEDSA-N -2 0 302.670 2.222 20 5 DEBDRL Cc1cnc(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[nH]c1=O ZINC001600625427 1077236512 /nfs/dbraw/zinc/23/65/12/1077236512.db2.gz REWQSAYQJCEIBP-UHFFFAOYSA-N -2 0 321.314 2.389 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001610834865 1078083878 /nfs/dbraw/zinc/08/38/78/1078083878.db2.gz CWAKTOVZHMLPDE-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC001610847730 1078085243 /nfs/dbraw/zinc/08/52/43/1078085243.db2.gz HPSRLPVLQLBBLR-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001595015243 1077058206 /nfs/dbraw/zinc/05/82/06/1077058206.db2.gz PFQTXURVTFDKMA-SNVBAGLBSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001601394207 1077388452 /nfs/dbraw/zinc/38/84/52/1077388452.db2.gz ROMFSGPAHMYEJH-CYBMUJFWSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC001601604040 1077417025 /nfs/dbraw/zinc/41/70/25/1077417025.db2.gz JSXYQHAZXNDKJN-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=C([O-])CC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1 ZINC001601919288 1077476355 /nfs/dbraw/zinc/47/63/55/1077476355.db2.gz JQTQHKRECJRPRH-UHFFFAOYSA-N -2 0 322.317 2.065 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2cccc([O-])c2F)cc([N+](=O)[O-])c1 ZINC001602285095 1077542040 /nfs/dbraw/zinc/54/20/40/1077542040.db2.gz IWSZDTTXNRRNGR-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000591531354 357733302 /nfs/dbraw/zinc/73/33/02/357733302.db2.gz USNSPXFUGIGZSR-UHFFFAOYSA-N -2 0 308.290 2.274 20 5 DEBDRL O=C(CC1CCN(C(=O)[O-])CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000833987437 605569728 /nfs/dbraw/zinc/56/97/28/605569728.db2.gz HIBUPFMBQPIUHJ-UHFFFAOYSA-N -2 0 323.305 2.019 20 5 DEBDRL Cc1cc(C=O)c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001624547331 1078224808 /nfs/dbraw/zinc/22/48/08/1078224808.db2.gz VTXRMJUBXZQYEM-UHFFFAOYSA-N -2 0 316.269 2.379 20 5 DEBDRL CC(C)C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000596000382 358591886 /nfs/dbraw/zinc/59/18/86/358591886.db2.gz UNQUWWGRENYRIN-JTQLQIEISA-N -2 0 324.333 2.167 20 5 DEBDRL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000263206120 145336180 /nfs/dbraw/zinc/33/61/80/145336180.db2.gz VXEZNSPVBVBDFP-SNVBAGLBSA-N -2 0 322.317 2.017 20 5 DEBDRL CC(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436864050 405154194 /nfs/dbraw/zinc/15/41/94/405154194.db2.gz WWONLDXULMYMTF-UHFFFAOYSA-N -2 0 316.269 2.461 20 5 DEBDRL O=C([O-])NCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000834206576 605712815 /nfs/dbraw/zinc/71/28/15/605712815.db2.gz KZEHMZMETGZKQY-UHFFFAOYSA-N -2 0 323.305 2.067 20 5 DEBDRL O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)c([O-])cc1[O-] ZINC001216751143 802021415 /nfs/dbraw/zinc/02/14/15/802021415.db2.gz JBNDKPNYFJOSKS-UHFFFAOYSA-N -2 0 300.230 2.118 20 5 DEBDRL O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCCC1 ZINC001594721484 956971926 /nfs/dbraw/zinc/97/19/26/956971926.db2.gz BTMLFYLDWNGLIG-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL O=C([O-])C1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCCCC1 ZINC001605736091 972376072 /nfs/dbraw/zinc/37/60/72/972376072.db2.gz CYTAPQGBRAVGOK-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL C[C@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC001594056348 997797612 /nfs/dbraw/zinc/79/76/12/997797612.db2.gz PUMPQRQYYXQEKE-BONVTDFDSA-N -2 0 322.317 2.064 20 5 DEBDRL Cc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600237434 1077167527 /nfs/dbraw/zinc/16/75/27/1077167527.db2.gz ALYFAGILYMKYHY-KWQFWETISA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001601394208 1077388475 /nfs/dbraw/zinc/38/84/75/1077388475.db2.gz ROMFSGPAHMYEJH-ZDUSSCGKSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCC1 ZINC001601904930 1077473853 /nfs/dbraw/zinc/47/38/53/1077473853.db2.gz GSQORJJSGYTLDA-LBPRGKRZSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2cccc(F)c2[O-])cc([N+](=O)[O-])c1 ZINC001602285782 1077541748 /nfs/dbraw/zinc/54/17/48/1077541748.db2.gz ZHSMMLKXWAEZRH-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1O ZINC000353603522 404880487 /nfs/dbraw/zinc/88/04/87/404880487.db2.gz KVIITQLFZQIYDM-UHFFFAOYSA-N -2 0 304.258 2.267 20 5 DEBDRL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC001595015481 951282025 /nfs/dbraw/zinc/28/20/25/951282025.db2.gz YZSQRFIKBLKRTK-SNVBAGLBSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001605845266 972585178 /nfs/dbraw/zinc/58/51/78/972585178.db2.gz NTSSSZYFOKMPHA-NKWVEPMBSA-N -2 0 314.681 2.003 20 5 DEBDRL O=C([O-])CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000591531248 357733499 /nfs/dbraw/zinc/73/34/99/357733499.db2.gz JJDWMDKKTLDJMA-UHFFFAOYSA-N -2 0 308.290 2.274 20 5 DEBDRL C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001604095843 1070211220 /nfs/dbraw/zinc/21/12/20/1070211220.db2.gz VCJGYXMYKLKIGY-YFKPBYRVSA-N -2 0 302.670 2.003 20 5 DEBDRL Cc1cc(N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237855 1077167760 /nfs/dbraw/zinc/16/77/60/1077167760.db2.gz AXZHHBMWVPXTHA-ZJUUUORDSA-N -2 0 322.317 2.291 20 5 DEBDRL Cc1nc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001600712518 1077255034 /nfs/dbraw/zinc/25/50/34/1077255034.db2.gz BHHIEFOKIHNEIT-UHFFFAOYSA-N -2 0 323.286 2.016 20 5 DEBDRL O=C([O-])Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001602126262 1077511388 /nfs/dbraw/zinc/51/13/88/1077511388.db2.gz IQQSXHFITIZJMH-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL Cn1ncc([N-]c2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1C(F)F ZINC001608158694 1077600945 /nfs/dbraw/zinc/60/09/45/1077600945.db2.gz CJRNAYAUPQMKFR-UHFFFAOYSA-N -2 0 313.220 2.103 20 5 DEBDRL O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001608622987 1077665817 /nfs/dbraw/zinc/66/58/17/1077665817.db2.gz JIMVCSCVECBQKU-VHSXEESVSA-N -2 0 323.301 2.235 20 5 DEBDRL O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCC1 ZINC001608672355 1077674440 /nfs/dbraw/zinc/67/44/40/1077674440.db2.gz CPFZDMFFFUADQB-NSHDSACASA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])c1cc(Nc2cc(=O)[n-]c(Cl)n2)cc([N+](=O)[O-])c1 ZINC001176672970 794470286 /nfs/dbraw/zinc/47/02/86/794470286.db2.gz QFPZFYKPOWZYGA-UHFFFAOYSA-N -2 0 310.653 2.186 20 5 DEBDRL O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)c([O-])cc1[O-] ZINC001216751088 802022238 /nfs/dbraw/zinc/02/22/38/802022238.db2.gz GKULKRFHMONYEH-UHFFFAOYSA-N -2 0 300.230 2.118 20 5 DEBDRL Cc1oc(C(=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001608034074 1077581196 /nfs/dbraw/zinc/58/11/96/1077581196.db2.gz PSXUMKZZSOFCTK-UHFFFAOYSA-N -2 0 306.230 2.152 20 5 DEBDRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000520583398 406303407 /nfs/dbraw/zinc/30/34/07/406303407.db2.gz PKTMBSCGCUVGJX-SECBINFHSA-N -2 0 316.697 2.249 20 5 DEBDRL O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001594673475 956636754 /nfs/dbraw/zinc/63/67/54/956636754.db2.gz GRYHMGGGEVDEQP-ZZXKWVIFSA-N -2 0 318.241 2.244 20 5 DEBDRL O=C([O-])c1cccc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001610676242 1078061911 /nfs/dbraw/zinc/06/19/11/1078061911.db2.gz VHJQKJJXROITMY-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000834261143 605691729 /nfs/dbraw/zinc/69/17/29/605691729.db2.gz BJBKWVFKZDFRTF-UHFFFAOYSA-N -2 0 318.245 2.038 20 5 DEBDRL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001589604828 949235149 /nfs/dbraw/zinc/23/51/49/949235149.db2.gz MFXLLLCMNXYJJD-HNNXBMFYSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001602215970 1077527784 /nfs/dbraw/zinc/52/77/84/1077527784.db2.gz RDUNZWFLKVHAID-KYZUINATSA-N -2 0 308.290 2.130 20 5 DEBDRL O=C([O-])Cc1ccc(NC[C@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC001608780492 1077694610 /nfs/dbraw/zinc/69/46/10/1077694610.db2.gz MTZMQBNFBSOFGD-NSHDSACASA-N -2 0 322.317 2.135 20 5 DEBDRL O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000834170931 605713020 /nfs/dbraw/zinc/71/30/20/605713020.db2.gz WLMIKPMOYBNVLG-IUCAKERBSA-N -2 0 323.305 2.065 20 5 DEBDRL C[C@@H](CC(=O)[O-])Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001604114155 1070226605 /nfs/dbraw/zinc/22/66/05/1070226605.db2.gz FEJRKPSFCZCYDR-YFKPBYRVSA-N -2 0 302.670 2.222 20 5 DEBDRL CC(C)(C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-] ZINC001602860553 971715735 /nfs/dbraw/zinc/71/57/35/971715735.db2.gz DTZUASJWMPVQDG-LLVKDONJSA-N -2 0 324.333 2.310 20 5 DEBDRL C[C@@H](CN(C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C(=O)[O-] ZINC001592588647 978513860 /nfs/dbraw/zinc/51/38/60/978513860.db2.gz NUCNATKOLCCAIA-LURJTMIESA-N -2 0 316.697 2.103 20 5 DEBDRL CC(C)(C)CC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588647416 1076459185 /nfs/dbraw/zinc/45/91/85/1076459185.db2.gz GKTGQFYMDPBYDY-GFCCVEGCSA-N -2 0 324.333 2.310 20 5 DEBDRL O=C([O-])[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC=CCC1 ZINC000593921202 358172960 /nfs/dbraw/zinc/17/29/60/358172960.db2.gz RNRUAIQJHHRGTJ-CQSZACIVSA-N -2 0 306.274 2.050 20 5 DEBDRL CCCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000829333919 604303748 /nfs/dbraw/zinc/30/37/48/604303748.db2.gz VAWRLJCTRQHXPJ-JTQLQIEISA-N -2 0 310.306 2.064 20 5 DEBDRL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000834170933 605713108 /nfs/dbraw/zinc/71/31/08/605713108.db2.gz WLMIKPMOYBNVLG-RKDXNWHRSA-N -2 0 323.305 2.065 20 5 DEBDRL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000776199587 642142896 /nfs/dbraw/zinc/14/28/96/642142896.db2.gz HXZCPWCSDPFHSC-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL O=C([O-])Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001595136959 952059842 /nfs/dbraw/zinc/05/98/42/952059842.db2.gz IWSMTYUIVCAXMG-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])CCCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001610768994 1078074077 /nfs/dbraw/zinc/07/40/77/1078074077.db2.gz RDSAUKYROSGOHL-UHFFFAOYSA-N -2 0 310.306 2.065 20 5 DEBDRL O=C([O-])C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCC1 ZINC001601904929 1077473857 /nfs/dbraw/zinc/47/38/57/1077473857.db2.gz GSQORJJSGYTLDA-GFCCVEGCSA-N -2 0 322.317 2.064 20 5 DEBDRL CC(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1O ZINC001298744458 1140078645 /nfs/dbraw/zinc/07/86/45/1140078645.db2.gz KAUMPCLHZRSSNE-UHFFFAOYSA-N -2 0 316.269 2.461 20 5 DEBDRL CC(C)(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-] ZINC000449148687 240125738 /nfs/dbraw/zinc/12/57/38/240125738.db2.gz UNHAVBTWQJCIOR-SNVBAGLBSA-N -2 0 324.333 2.310 20 5 DEBDRL Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)sc1C(=O)[O-] ZINC000833002039 601374857 /nfs/dbraw/zinc/37/48/57/601374857.db2.gz JLISSPUAYMCXAY-UHFFFAOYSA-N -2 0 323.286 2.016 20 5 DEBDRL O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)c([O-])cc1[O-] ZINC001216751353 802021748 /nfs/dbraw/zinc/02/17/48/802021748.db2.gz NUKBWMFTCMYJRA-UHFFFAOYSA-N -2 0 300.230 2.118 20 5 DEBDRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001594227450 959436257 /nfs/dbraw/zinc/43/62/57/959436257.db2.gz MIDWNGCWWGISMU-KQDJYFMNSA-N -2 0 314.681 2.003 20 5 DEBDRL Cc1cc(N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237854 1077167675 /nfs/dbraw/zinc/16/76/75/1077167675.db2.gz AXZHHBMWVPXTHA-VHSXEESVSA-N -2 0 322.317 2.291 20 5 DEBDRL Cc1cc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237883 1077167753 /nfs/dbraw/zinc/16/77/53/1077167753.db2.gz BZHLENZECRGHBC-WPRPVWTQSA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])C12CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])(CC1)C2 ZINC001601732358 1077442357 /nfs/dbraw/zinc/44/23/57/1077442357.db2.gz ACONZIUXIKCDSH-UHFFFAOYSA-N -2 0 320.301 2.274 20 5 DEBDRL O=C([O-])CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001602060081 1077501878 /nfs/dbraw/zinc/50/18/78/1077501878.db2.gz MJADCXRPABZKSI-UHFFFAOYSA-N -2 0 316.313 2.387 20 5 DEBDRL CC(C)Cc1nc(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])s[n-]1 ZINC000598190302 359118120 /nfs/dbraw/zinc/11/81/20/359118120.db2.gz AEDFCIQCCFRVNY-UHFFFAOYSA-N -2 0 322.346 2.025 20 5 DEBDRL O=C([O-])c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000821550400 598158737 /nfs/dbraw/zinc/15/87/37/598158737.db2.gz CXJUUWKCHVLFOM-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])c1csc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000833784546 605782421 /nfs/dbraw/zinc/78/24/21/605782421.db2.gz BEEWOVURADJYQH-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])/C=C\c1ccc(NCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001601882605 1077469895 /nfs/dbraw/zinc/46/98/95/1077469895.db2.gz JXELKQCXNGVFLV-ALCCZGGFSA-N -2 0 308.290 2.359 20 5 DEBDRL O=C([O-])/C=C\c1ccc(NCC2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC001608660902 1077672436 /nfs/dbraw/zinc/67/24/36/1077672436.db2.gz FPSYTHVKGCEVBX-HYXAFXHYSA-N -2 0 320.301 2.359 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000833330560 604588184 /nfs/dbraw/zinc/58/81/84/604588184.db2.gz UXZNLGHSVNRNDS-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773497156 641786732 /nfs/dbraw/zinc/78/67/32/641786732.db2.gz QZKOABYQRJVKQE-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])n2)ccn1 ZINC001216751360 802021244 /nfs/dbraw/zinc/02/12/44/802021244.db2.gz OHKXBWAUZPRMQY-UHFFFAOYSA-N -2 0 314.257 2.426 20 5 DEBDRL O=C([O-])[C@H]1CC[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001610804902 1078078935 /nfs/dbraw/zinc/07/89/35/1078078935.db2.gz SDHLIYUVVWCCLF-MGCOHNPYSA-N -2 0 323.301 2.235 20 5 DEBDRL CC(C)(C)CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588647417 1076459718 /nfs/dbraw/zinc/45/97/18/1076459718.db2.gz GKTGQFYMDPBYDY-LBPRGKRZSA-N -2 0 324.333 2.310 20 5 DEBDRL O=[N+]([O-])c1ccc(NCCOP(=O)([O-])[O-])c2ccccc21 ZINC001168595232 1084111745 /nfs/dbraw/zinc/11/17/45/1084111745.db2.gz HQBXWSDCKWZORX-UHFFFAOYSA-N -2 0 312.218 2.269 20 5 DEBDRL C[C@@H](CON)Oc1cc(O)cc2oc3c(O)cccc3c(=O)c12 ZINC001234743096 1084203352 /nfs/dbraw/zinc/20/33/52/1084203352.db2.gz YLUHWAKUMOJRLD-QMMMGPOBSA-N -2 0 317.297 2.015 20 5 DEBDRL O=C([O-])Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000821539391 598221278 /nfs/dbraw/zinc/22/12/78/598221278.db2.gz VIOAWFAORICPPG-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1(C(=O)[O-])CCCCC1 ZINC000833686325 605572053 /nfs/dbraw/zinc/57/20/53/605572053.db2.gz RDFXJEYVYLMUCX-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc([O-])ccc1[N+](=O)[O-] ZINC000791389687 643969421 /nfs/dbraw/zinc/96/94/21/643969421.db2.gz DSFYILRKKSCGJG-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001595182292 952254370 /nfs/dbraw/zinc/25/43/70/952254370.db2.gz NTSSSZYFOKMPHA-RNFRBKRXSA-N -2 0 314.681 2.003 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1F ZINC001602380212 1069624428 /nfs/dbraw/zinc/62/44/28/1069624428.db2.gz HPASGOJIQRNAPI-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL Cc1nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001610557843 1078041288 /nfs/dbraw/zinc/04/12/88/1078041288.db2.gz CEVRKNHNHIADFW-UHFFFAOYSA-N -2 0 323.286 2.016 20 5 DEBDRL CC(C)(C(=O)[O-])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592467126 357881606 /nfs/dbraw/zinc/88/16/06/357881606.db2.gz JTQNSRWVWSPTET-UHFFFAOYSA-N -2 0 302.670 2.003 20 5 DEBDRL CC(C)Cc1nc(=NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s[n-]1 ZINC000598191673 359118881 /nfs/dbraw/zinc/11/88/81/359118881.db2.gz QYXPLCPDFVBBSL-UHFFFAOYSA-N -2 0 322.346 2.025 20 5 DEBDRL O=C([O-])N1CC[C@H](N(Cc2cc([O-])ccc2[N+](=O)[O-])C2CC2)C1 ZINC000834080795 605620365 /nfs/dbraw/zinc/62/03/65/605620365.db2.gz AUKWEFHBXUJOTF-LBPRGKRZSA-N -2 0 321.333 2.017 20 5 DEBDRL O=C(Nc1nc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1[O-] ZINC000788159006 637999838 /nfs/dbraw/zinc/99/98/38/637999838.db2.gz SDEZXXSPWSIYRO-UHFFFAOYSA-N -2 0 309.665 2.307 20 5 DEBDRL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000776196356 642142313 /nfs/dbraw/zinc/14/23/13/642142313.db2.gz XXCJAFFDPHOUOO-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL CS(=O)(=O)c1ccc([O-])c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210397964 801392342 /nfs/dbraw/zinc/39/23/42/801392342.db2.gz KHPQVKOCNHPAPS-UHFFFAOYSA-N -2 0 324.314 2.153 20 5 DEBDRL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001589604998 949239106 /nfs/dbraw/zinc/23/91/06/949239106.db2.gz ZZHVZFHKQBBSEA-HNNXBMFYSA-N -2 0 322.317 2.017 20 5 DEBDRL CCC(CC)(CC(=O)[O-])NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001595053667 979288741 /nfs/dbraw/zinc/28/87/41/979288741.db2.gz NODSVCRDRNEUAX-UHFFFAOYSA-N -2 0 310.306 2.064 20 5 DEBDRL CC(C)[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001603983283 1070163583 /nfs/dbraw/zinc/16/35/83/1070163583.db2.gz HWPVQJXDQVFNBX-BPJJOFIESA-N -2 0 308.290 2.214 20 5 DEBDRL Cc1cc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237880 1077167748 /nfs/dbraw/zinc/16/77/48/1077167748.db2.gz BZHLENZECRGHBC-PSASIEDQSA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])Cc1sccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001602157892 1077517575 /nfs/dbraw/zinc/51/75/75/1077517575.db2.gz CYDWQGOTADIFOA-UHFFFAOYSA-N -2 0 322.298 2.241 20 5 DEBDRL O=C([O-])/C=C/c1ccc(NCC2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC001608660901 1077672517 /nfs/dbraw/zinc/67/25/17/1077672517.db2.gz FPSYTHVKGCEVBX-HWKANZROSA-N -2 0 320.301 2.359 20 5 DEBDRL O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCCOP(=O)([O-])[O-] ZINC001168592415 1084102536 /nfs/dbraw/zinc/10/25/36/1084102536.db2.gz RUFAUURDJGRUPO-HWKANZROSA-N -2 0 322.641 2.109 20 5 DEBDRL O=C([O-])CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436842719 405150722 /nfs/dbraw/zinc/15/07/22/405150722.db2.gz FEWBKSUCNJSFTQ-UHFFFAOYSA-N -2 0 316.269 2.032 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001611426032 971048937 /nfs/dbraw/zinc/04/89/37/971048937.db2.gz PCDWRHFKZPOONV-JTQLQIEISA-N -2 0 322.317 2.160 20 5 DEBDRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001589605000 949239787 /nfs/dbraw/zinc/23/97/87/949239787.db2.gz ZZHVZFHKQBBSEA-OAHLLOKOSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC001594980272 950981460 /nfs/dbraw/zinc/98/14/60/950981460.db2.gz RMZWYTMMANVWBS-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL O=C([O-])c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC001601591164 1077415102 /nfs/dbraw/zinc/41/51/02/1077415102.db2.gz BXJQCWXQHXPYPC-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL CC(C)(C)CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-] ZINC000449149988 240125047 /nfs/dbraw/zinc/12/50/47/240125047.db2.gz YKGVFRPXOQZKJC-SNVBAGLBSA-N -2 0 324.333 2.310 20 5 DEBDRL O=P([O-])([O-])OCCNc1ccc2ccc3cccnc3c2n1 ZINC001157787795 798279215 /nfs/dbraw/zinc/27/92/15/798279215.db2.gz OIUFWNIELPVNPS-UHFFFAOYSA-N -2 0 319.257 2.304 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001595011978 951250353 /nfs/dbraw/zinc/25/03/53/951250353.db2.gz DMLUEDZKVRFFKQ-JTQLQIEISA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])c1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC001602325635 1069606336 /nfs/dbraw/zinc/60/63/36/1069606336.db2.gz ZZYVVIPYRCYCGP-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])c1coc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001602553373 1069674776 /nfs/dbraw/zinc/67/47/76/1069674776.db2.gz GGLPCAPJPHMTJZ-UPHRSURJSA-N -2 0 304.214 2.150 20 5 DEBDRL Cc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600285127 1077175924 /nfs/dbraw/zinc/17/59/24/1077175924.db2.gz VWAAFKQAINAIKJ-DTWKUNHWSA-N -2 0 308.290 2.267 20 5 DEBDRL O=C([O-])C1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000595984298 358590061 /nfs/dbraw/zinc/59/00/61/358590061.db2.gz BYMLTPMZFMMZGJ-UHFFFAOYSA-N -2 0 314.681 2.147 20 5 DEBDRL C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833568581 605571306 /nfs/dbraw/zinc/57/13/06/605571306.db2.gz ZJXQAQIAWMVKFL-ABAIWWIYSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCCCC1 ZINC001574552741 961979110 /nfs/dbraw/zinc/97/91/10/961979110.db2.gz RBMMTIFYBBSEJD-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237882 1077167430 /nfs/dbraw/zinc/16/74/30/1077167430.db2.gz BZHLENZECRGHBC-WCBMZHEXSA-N -2 0 322.317 2.148 20 5 DEBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O ZINC000339962863 403507018 /nfs/dbraw/zinc/50/70/18/403507018.db2.gz QWPHERKIGUCXOX-UHFFFAOYSA-N -2 0 324.314 2.115 20 5 DEBDRL C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCC[C@H]1C(=O)[O-] ZINC000833568583 605571347 /nfs/dbraw/zinc/57/13/47/605571347.db2.gz ZJXQAQIAWMVKFL-NHYWBVRUSA-N -2 0 322.317 2.064 20 5 DEBDRL CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1(C(=O)[O-])CCCCC1 ZINC001598088477 990427250 /nfs/dbraw/zinc/42/72/50/990427250.db2.gz VWTHUHQGNDCUCB-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001610766600 1078073913 /nfs/dbraw/zinc/07/39/13/1078073913.db2.gz BKXNARPXPZXICE-UHFFFAOYSA-N -2 0 322.317 2.017 20 5 DEBDRL Cc1nc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001600713962 1077254841 /nfs/dbraw/zinc/25/48/41/1077254841.db2.gz LLBLJCDZYVUMMC-UHFFFAOYSA-N -2 0 323.286 2.016 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC001608505240 1077647071 /nfs/dbraw/zinc/64/70/71/1077647071.db2.gz RNGSDASEHILYTA-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000520583399 406303520 /nfs/dbraw/zinc/30/35/20/406303520.db2.gz PKTMBSCGCUVGJX-VIFPVBQESA-N -2 0 316.697 2.249 20 5 DEBDRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436885325 527322497 /nfs/dbraw/zinc/32/24/97/527322497.db2.gz CJMRUOKEVKHPMK-UHFFFAOYSA-N -2 0 316.269 2.461 20 5 DEBDRL Cc1[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)c1C(=O)[O-] ZINC000833739382 604818766 /nfs/dbraw/zinc/81/87/66/604818766.db2.gz CZEAAMSFNHMTGY-UHFFFAOYSA-N -2 0 319.273 2.196 20 5 DEBDRL O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000834095512 606062136 /nfs/dbraw/zinc/06/21/36/606062136.db2.gz NGITYKAFKWWORR-NEPJUHHUSA-N -2 0 321.333 2.017 20 5 DEBDRL O=C([O-])c1ccc(F)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC001602365094 1069620513 /nfs/dbraw/zinc/62/05/13/1069620513.db2.gz WZGYDEPPFZBWEV-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001604991760 1070557403 /nfs/dbraw/zinc/55/74/03/1070557403.db2.gz RIOBCJLNGFABAO-UHFFFAOYSA-N -2 0 310.306 2.064 20 5 DEBDRL O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC001601394443 1077388751 /nfs/dbraw/zinc/38/87/51/1077388751.db2.gz ZVPFXDKBJCXJFX-CYBMUJFWSA-N -2 0 322.317 2.064 20 5 DEBDRL C[C@H](CON)Oc1cc(O)cc2oc3c(O)cccc3c(=O)c12 ZINC001234743095 1084203681 /nfs/dbraw/zinc/20/36/81/1084203681.db2.gz YLUHWAKUMOJRLD-MRVPVSSYSA-N -2 0 317.297 2.015 20 5 DEBDRL O=C([O-])[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000595987377 358590746 /nfs/dbraw/zinc/59/07/46/358590746.db2.gz USFWTRHRTOYJLO-VIFPVBQESA-N -2 0 314.681 2.003 20 5 DEBDRL CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC(=O)[O-] ZINC000595999386 358591749 /nfs/dbraw/zinc/59/17/49/358591749.db2.gz KLPIOHOQCAGRJG-JTQLQIEISA-N -2 0 324.333 2.167 20 5 DEBDRL CC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436955640 405167486 /nfs/dbraw/zinc/16/74/86/405167486.db2.gz HMGHMSIDFQMAOL-UHFFFAOYSA-N -2 0 316.269 2.461 20 5 DEBDRL O=C([O-])C1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCCCCC1 ZINC001594724328 987221955 /nfs/dbraw/zinc/22/19/55/987221955.db2.gz NKQFZUSGQWTTII-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL Cc1cc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600237432 1077167652 /nfs/dbraw/zinc/16/76/52/1077167652.db2.gz ALYFAGILYMKYHY-KCJUWKMLSA-N -2 0 322.317 2.148 20 5 DEBDRL O=C([O-])c1ccsc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001601635034 1077421769 /nfs/dbraw/zinc/42/17/69/1077421769.db2.gz JXGDGCXXMURKCL-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC001601977714 1077487573 /nfs/dbraw/zinc/48/75/73/1077487573.db2.gz DTHDDLQMFPVOMA-UHFFFAOYSA-N -2 0 322.317 2.017 20 5 DEBDRL Cc1sc(C(=O)[O-])cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001608063551 1077587666 /nfs/dbraw/zinc/58/76/66/1077587666.db2.gz ZDRLFNAAXUZLHI-UHFFFAOYSA-N -2 0 323.286 2.016 20 5 DEBDRL Cn1ncc([N-]c2nccc(C(=O)[O-])c2[N+](=O)[O-])c1C(F)F ZINC001608158687 1077600881 /nfs/dbraw/zinc/60/08/81/1077600881.db2.gz BXCZPEJPCBAXSO-UHFFFAOYSA-N -2 0 313.220 2.103 20 5 DEBDRL CC(C)(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-] ZINC000449148686 240122921 /nfs/dbraw/zinc/12/29/21/240122921.db2.gz UNHAVBTWQJCIOR-JTQLQIEISA-N -2 0 324.333 2.310 20 5 DEBDRL CCCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-] ZINC000829333618 601760763 /nfs/dbraw/zinc/76/07/63/601760763.db2.gz RHXZKOKBKVRBQP-JTQLQIEISA-N -2 0 310.306 2.064 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000833319470 604588226 /nfs/dbraw/zinc/58/82/26/604588226.db2.gz MVDWGRHDQAPDIA-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000833775381 605681760 /nfs/dbraw/zinc/68/17/60/605681760.db2.gz GMEPGAJEHPAVFW-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL O=C([O-])CC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC001606081499 973241331 /nfs/dbraw/zinc/24/13/31/973241331.db2.gz XEFBRVZMXQCYSU-UHFFFAOYSA-N -2 0 322.317 2.208 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC001602379140 1069624441 /nfs/dbraw/zinc/62/44/41/1069624441.db2.gz VGSYOHVFZSGLME-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC001610814003 1078080050 /nfs/dbraw/zinc/08/00/50/1078080050.db2.gz XZUBRQSTEIJTQU-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=C([O-])[C@@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC=CCC1 ZINC001594870673 1077056502 /nfs/dbraw/zinc/05/65/02/1077056502.db2.gz VLZLVYCJVHVSAQ-AWEZNQCLSA-N -2 0 306.274 2.050 20 5 DEBDRL Cc1c(NC(=O)CC(C)(C)C(=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600033542 1077126836 /nfs/dbraw/zinc/12/68/36/1077126836.db2.gz OPGRUPZZZFZABB-UHFFFAOYSA-N -2 0 324.289 2.041 20 5 DEBDRL O=C([O-])CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001608743620 1077688078 /nfs/dbraw/zinc/68/80/78/1077688078.db2.gz TUUOFUMVMOITJM-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])c1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001608956665 1077728739 /nfs/dbraw/zinc/72/87/39/1077728739.db2.gz CABGQSATBDNCSR-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])c1csc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC001608993122 1077736435 /nfs/dbraw/zinc/73/64/35/1077736435.db2.gz JKYPVTGLOYFWJU-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])c1csc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000833342808 604707418 /nfs/dbraw/zinc/70/74/18/604707418.db2.gz WKEMGQLXCWRFKJ-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000011947858 956899926 /nfs/dbraw/zinc/89/99/26/956899926.db2.gz SWPGFSSSMSXSOE-VHSXEESVSA-N -2 0 308.290 2.130 20 5 DEBDRL C[C@@H](CC(=O)[O-])Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592418101 978021741 /nfs/dbraw/zinc/02/17/41/978021741.db2.gz GCLIVBOMKPVPRH-YFKPBYRVSA-N -2 0 302.670 2.222 20 5 DEBDRL CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1(C(=O)[O-])CCCCC1 ZINC001598088325 990425453 /nfs/dbraw/zinc/42/54/53/990425453.db2.gz MVEAFQUHORVPNS-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])CC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1 ZINC001601919225 1077476410 /nfs/dbraw/zinc/47/64/10/1077476410.db2.gz JUWHGZJPXQZRIJ-UHFFFAOYSA-N -2 0 322.317 2.065 20 5 DEBDRL O=C([O-])C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCC1 ZINC001608427663 1077640423 /nfs/dbraw/zinc/64/04/23/1077640423.db2.gz ANSUEROEWPGXKA-UHFFFAOYSA-N -2 0 322.317 2.065 20 5 DEBDRL CC(C)Cc1nc(=NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s[n-]1 ZINC000598190827 359118772 /nfs/dbraw/zinc/11/87/72/359118772.db2.gz KBWGGXJQSZPCGB-UHFFFAOYSA-N -2 0 322.346 2.025 20 5 DEBDRL C[C@@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC001594056350 997797636 /nfs/dbraw/zinc/79/76/36/997797636.db2.gz PUMPQRQYYXQEKE-ZUZCIYMTSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001602445676 1069641579 /nfs/dbraw/zinc/64/15/79/1069641579.db2.gz PKZTURLNIGTBLU-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001608622985 1077665815 /nfs/dbraw/zinc/66/58/15/1077665815.db2.gz JIMVCSCVECBQKU-NXEZZACHSA-N -2 0 323.301 2.235 20 5 DEBDRL O=C([O-])CC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCC1 ZINC001608679636 1077676227 /nfs/dbraw/zinc/67/62/27/1077676227.db2.gz CLJYJHLHZUUSAQ-UHFFFAOYSA-N -2 0 322.317 2.065 20 5 DEBDRL O=C([O-])CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000833224316 604307447 /nfs/dbraw/zinc/30/74/47/604307447.db2.gz FMWFBFXTRHIIFF-UHFFFAOYSA-N -2 0 322.317 2.017 20 5 DEBDRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC001595015479 951281850 /nfs/dbraw/zinc/28/18/50/951281850.db2.gz YZSQRFIKBLKRTK-JTQLQIEISA-N -2 0 322.317 2.017 20 5 DEBDRL Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600239622 1077168227 /nfs/dbraw/zinc/16/82/27/1077168227.db2.gz ABNQWVZNGLWNIY-SNVBAGLBSA-N -2 0 322.317 2.293 20 5 DEBDRL O=C([O-])Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000819579502 604331022 /nfs/dbraw/zinc/33/10/22/604331022.db2.gz ATVZLTURCGXEDZ-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL C[C@](COC(=O)c1ccc([N+](=O)[O-])[n-]1)(C(=O)[O-])c1ccccc1 ZINC001592772374 979391358 /nfs/dbraw/zinc/39/13/58/979391358.db2.gz OLTTXZPLKWVLNP-OAHLLOKOSA-N -2 0 318.285 2.122 20 5 DEBDRL CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1(C(=O)[O-])CCCCC1 ZINC001598091893 990435733 /nfs/dbraw/zinc/43/57/33/990435733.db2.gz QAGSWYIAVAEYGZ-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC001602139877 1077513778 /nfs/dbraw/zinc/51/37/78/1077513778.db2.gz HJXZUTRIEPXKBF-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])sc1C(=O)[O-] ZINC000833002087 604925369 /nfs/dbraw/zinc/92/53/69/604925369.db2.gz MFMCSBFNXXZWKR-UHFFFAOYSA-N -2 0 323.286 2.016 20 5 DEBDRL O=C([O-])c1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC001602364738 1069619338 /nfs/dbraw/zinc/61/93/38/1069619338.db2.gz LPGXYCCGYMTTED-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001607492114 1071458555 /nfs/dbraw/zinc/45/85/55/1071458555.db2.gz GBFLMERTDLJNES-UHFFFAOYSA-N -2 0 319.273 2.196 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001601596443 1077415990 /nfs/dbraw/zinc/41/59/90/1077415990.db2.gz DWZSQVVRVCIFOL-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC001608510887 1077648401 /nfs/dbraw/zinc/64/84/01/1077648401.db2.gz QKDIEUJJCYREEL-UHFFFAOYSA-N -2 0 320.232 2.390 20 5 DEBDRL O=C([O-])CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC001608743773 1077687955 /nfs/dbraw/zinc/68/79/55/1077687955.db2.gz OBKYGLFORIHAKO-UHFFFAOYSA-N -2 0 322.317 2.160 20 5 DEBDRL CC(C)(C)CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609755394 1077917141 /nfs/dbraw/zinc/91/71/41/1077917141.db2.gz URDWDLSXDOJQMC-NSHDSACASA-N -2 0 324.333 2.310 20 5 DEBDRL C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001609782395 1077923056 /nfs/dbraw/zinc/92/30/56/1077923056.db2.gz YKSUQUFSQNGJMJ-ZETCQYMHSA-N -2 0 323.330 2.306 20 5 DEBDRL O=P([O-])([O-])OCCNc1ncnc2cc3ccccc3cc21 ZINC001168590238 1084095415 /nfs/dbraw/zinc/09/54/15/1084095415.db2.gz XQMBTTYVQCKZFW-UHFFFAOYSA-N -2 0 319.257 2.304 20 5 DEBDRL O=C1CC(Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742919 1084204079 /nfs/dbraw/zinc/20/40/79/1084204079.db2.gz VQWHTHPISUVJAH-UHFFFAOYSA-N -2 0 312.277 2.468 20 5 DEBDRL O=C([O-])Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000834262399 605857205 /nfs/dbraw/zinc/85/72/05/605857205.db2.gz OZJHGKYGNAYLLY-UHFFFAOYSA-N -2 0 318.245 2.038 20 5 DEBDRL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc([N+](=O)[O-])c1[O-] ZINC000770861070 641427297 /nfs/dbraw/zinc/42/72/97/641427297.db2.gz GQPCHDIJWGMNFT-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL O=[N+]([O-])c1cc(Nc2ccc(S(=O)(=O)[O-])cc2)ccc1[O-] ZINC001210397719 776893252 /nfs/dbraw/zinc/89/32/52/776893252.db2.gz FQFLFSWTQGXTBA-UHFFFAOYSA-N -2 0 310.287 2.291 20 5 DEBDRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000263225428 304062486 /nfs/dbraw/zinc/06/24/86/304062486.db2.gz ZXZFUMMMGYULDK-LLVKDONJSA-N -2 0 322.317 2.160 20 5 DEBDRL O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC001602378751 1069623245 /nfs/dbraw/zinc/62/32/45/1069623245.db2.gz DFZUADQUGMCWQK-UHFFFAOYSA-N -2 0 302.242 2.251 20 5 DEBDRL C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC[C@H]1C(=O)[O-] ZINC001604592260 1070440542 /nfs/dbraw/zinc/44/05/42/1070440542.db2.gz RFCKUGMHNFYHJU-BONVTDFDSA-N -2 0 322.317 2.064 20 5 DEBDRL O=C([O-])CCCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC001608711382 1077682815 /nfs/dbraw/zinc/68/28/15/1077682815.db2.gz XLLBHRFBCIIREW-UHFFFAOYSA-N -2 0 310.306 2.065 20 5 DEBDRL CC(C)(C)CC[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609755392 1077916748 /nfs/dbraw/zinc/91/67/48/1077916748.db2.gz URDWDLSXDOJQMC-LLVKDONJSA-N -2 0 324.333 2.310 20 5 DEBDRL O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c([O-])cc1[O-] ZINC001251082444 1142378953 /nfs/dbraw/zinc/37/89/53/1142378953.db2.gz GYLUISZTJLRJFP-UHFFFAOYSA-N -2 0 315.241 2.278 20 5 DEBDRL CC(C)Cc1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s[n-]1 ZINC000598190756 359119136 /nfs/dbraw/zinc/11/91/36/359119136.db2.gz GOOZCRXFHFUECO-UHFFFAOYSA-N -2 0 322.346 2.025 20 5 DEBDRL O=C([O-])Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000343941431 403802026 /nfs/dbraw/zinc/80/20/26/403802026.db2.gz TXISMGBTGHFEAH-UHFFFAOYSA-N -2 0 316.269 2.180 20 5 DEBDRL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(O)c1 ZINC000336850097 403923101 /nfs/dbraw/zinc/92/31/01/403923101.db2.gz NOHADXJEMHYWBH-UHFFFAOYSA-N -2 0 324.314 2.115 20 5 DEBDRL O=C([O-])c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000833784728 604790011 /nfs/dbraw/zinc/79/00/11/604790011.db2.gz KROCPJWSMPREPI-UHFFFAOYSA-N -2 0 308.271 2.312 20 5 DEBDRL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000776193740 642141550 /nfs/dbraw/zinc/14/15/50/642141550.db2.gz FDFLSNQPIWQTFS-UHFFFAOYSA-N -2 0 319.229 2.167 20 5 DEBDRL