smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCc2ccc([O-])c(Cl)c2)ncc1[N+](=O)[O-] ZINC001458568489 937469392 /nfs/dbraw/zinc/46/93/92/937469392.db2.gz CENAYXRFPBATKC-UHFFFAOYSA-N -1 1 293.710 3.269 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC001229752535 932479876 /nfs/dbraw/zinc/47/98/76/932479876.db2.gz BMZCTHQCGVKABY-SNVBAGLBSA-N -1 1 277.276 3.212 20 5 CGBDMM CC(C)c1oncc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC001336052080 932782765 /nfs/dbraw/zinc/78/27/65/932782765.db2.gz DZDSBDXEQQVYAR-UHFFFAOYSA-N -1 1 281.293 3.020 20 5 CGBDMM Cc1c(NC(=O)c2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000613440814 348604202 /nfs/dbraw/zinc/60/42/02/348604202.db2.gz UJBLRKNPAYPWQH-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000278620333 194072644 /nfs/dbraw/zinc/07/26/44/194072644.db2.gz WWMAXRQBZJFIDV-LBPRGKRZSA-N -1 1 299.330 3.323 20 5 CGBDMM C[C@@H]1CCCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356577023 278467118 /nfs/dbraw/zinc/46/71/18/278467118.db2.gz KDOFMKVKGYZVGH-BDAKNGLRSA-N -1 1 276.296 3.267 20 5 CGBDMM COc1ccc([N-]c2cc(C(C)C)no2)c([N+](=O)[O-])c1 ZINC001248457183 804935077 /nfs/dbraw/zinc/93/50/77/804935077.db2.gz NCXLXDNCBPVKIB-UHFFFAOYSA-N -1 1 277.280 3.458 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(F)c([O-])cc1F ZINC001249545768 805172318 /nfs/dbraw/zinc/17/23/18/805172318.db2.gz FSROWYZLPFYVKJ-UHFFFAOYSA-N -1 1 281.218 3.026 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(F)cc(F)c1[O-] ZINC001249560193 805176272 /nfs/dbraw/zinc/17/62/72/805176272.db2.gz VXGBEISNKQMIAT-UHFFFAOYSA-N -1 1 281.218 3.026 20 5 CGBDMM Cc1cccc2c1CC[C@H]2Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663128 817131745 /nfs/dbraw/zinc/13/17/45/817131745.db2.gz ZAEGPHKEYDQJPP-CYBMUJFWSA-N -1 1 286.287 3.070 20 5 CGBDMM CC1(C)CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666772 817133237 /nfs/dbraw/zinc/13/32/37/817133237.db2.gz MDLYPOCRHFQNPF-VIFPVBQESA-N -1 1 266.297 3.043 20 5 CGBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001225666501 817133359 /nfs/dbraw/zinc/13/33/59/817133359.db2.gz JSQYWYITGCEDNM-QMMMGPOBSA-N -1 1 294.694 3.489 20 5 CGBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001225668030 817134661 /nfs/dbraw/zinc/13/46/61/817134661.db2.gz XYJIIGJWUPMYBI-ZETCQYMHSA-N -1 1 296.229 3.114 20 5 CGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC001229396730 932145070 /nfs/dbraw/zinc/14/50/70/932145070.db2.gz XRPIGEBRWWCKQI-VIFPVBQESA-N -1 1 251.282 3.258 20 5 CGBDMM Cc1cnc(F)c([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229400373 932145138 /nfs/dbraw/zinc/14/51/38/932145138.db2.gz UYXIHYZVWDPSKY-SECBINFHSA-N -1 1 292.266 3.283 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2ncccc2F)cc1[N+](=O)[O-] ZINC001229753366 932481181 /nfs/dbraw/zinc/48/11/81/932481181.db2.gz HKZNRXMLTJEHOQ-SECBINFHSA-N -1 1 292.266 3.283 20 5 CGBDMM CCc1c(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]c1C(C)C ZINC000601937053 347926431 /nfs/dbraw/zinc/92/64/31/347926431.db2.gz YDMLIOXNJQRIBI-LBPRGKRZSA-N -1 1 289.335 3.288 20 5 CGBDMM O=c1[n-]c(-c2cccc([N+](=O)[O-])c2)nc2cccc(F)c12 ZINC000609224129 348340250 /nfs/dbraw/zinc/34/02/50/348340250.db2.gz FKHWOVAJHFYFEK-UHFFFAOYSA-N -1 1 285.234 3.050 20 5 CGBDMM CC(C)c1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000299207496 373482384 /nfs/dbraw/zinc/48/23/84/373482384.db2.gz DABBQEMSQBACNZ-UHFFFAOYSA-N -1 1 287.319 3.323 20 5 CGBDMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])cc([N+](=O)[O-])c1 ZINC000340331298 377007512 /nfs/dbraw/zinc/00/75/12/377007512.db2.gz TVNDIYBKVDJVPC-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1F ZINC000362578755 534560322 /nfs/dbraw/zinc/56/03/22/534560322.db2.gz GGYXKPAOKVJIHC-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM CCOc1ccc2nc(-c3cccc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC001251271331 805876114 /nfs/dbraw/zinc/87/61/14/805876114.db2.gz ATVVRICZMAEDNL-UHFFFAOYSA-N -1 1 299.286 3.242 20 5 CGBDMM COc1ccc(Nc2ccnc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001248470337 804935669 /nfs/dbraw/zinc/93/56/69/804935669.db2.gz CJPQXPHRGYIQCX-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(F)c(F)cc1[O-] ZINC001249545854 805171519 /nfs/dbraw/zinc/17/15/19/805171519.db2.gz QTMPXBUAXXOFAY-UHFFFAOYSA-N -1 1 281.218 3.026 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001201221787 811798948 /nfs/dbraw/zinc/79/89/48/811798948.db2.gz HIEOHODXRIXVLP-UHFFFAOYSA-N -1 1 280.667 3.403 20 5 CGBDMM O=c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2[nH]1 ZINC001210392521 814441123 /nfs/dbraw/zinc/44/11/23/814441123.db2.gz FXELOLDXGHPZJS-UHFFFAOYSA-N -1 1 297.270 3.298 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(OC(F)F)nc2)ccc1[O-] ZINC001210393695 814442280 /nfs/dbraw/zinc/44/22/80/814442280.db2.gz HFRZEHCAAGNKRX-UHFFFAOYSA-N -1 1 297.217 3.040 20 5 CGBDMM O=[N+]([O-])c1cc2nc(O[C@H]3C=CCC3)[n-]c2cc1Cl ZINC001233505810 818628697 /nfs/dbraw/zinc/62/86/97/818628697.db2.gz HJZFBSZSDFDOMY-ZETCQYMHSA-N -1 1 279.683 3.222 20 5 CGBDMM CCCC(=O)[C@@H](CCC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396749 932145338 /nfs/dbraw/zinc/14/53/38/932145338.db2.gz YPWQLKCXUMEYKC-CYBMUJFWSA-N -1 1 281.308 3.217 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC001229750143 932480084 /nfs/dbraw/zinc/48/00/84/932480084.db2.gz KPDDEVUHNORFKR-SNVBAGLBSA-N -1 1 274.276 3.144 20 5 CGBDMM CCc1c(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]c1C(C)C ZINC000601944679 347927672 /nfs/dbraw/zinc/92/76/72/347927672.db2.gz YNXULQBHBDHYEU-GFCCVEGCSA-N -1 1 289.335 3.288 20 5 CGBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000183935167 374476234 /nfs/dbraw/zinc/47/62/34/374476234.db2.gz XYJGNGAQROZJGG-UHFFFAOYSA-N -1 1 293.304 3.082 20 5 CGBDMM CSCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340148579 376929331 /nfs/dbraw/zinc/92/93/31/376929331.db2.gz DGWRAXXRYHEEPL-UHFFFAOYSA-N -1 1 291.332 3.038 20 5 CGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc(Cl)c1 ZINC000340720535 377235791 /nfs/dbraw/zinc/23/57/91/377235791.db2.gz YXNMJQLJYZEGRO-UHFFFAOYSA-N -1 1 293.710 3.243 20 5 CGBDMM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1[N+](=O)[O-] ZINC000174897785 335168939 /nfs/dbraw/zinc/16/89/39/335168939.db2.gz ZGGPPUMXQNCPOG-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(C2CCC2)c1 ZINC000897102796 620143829 /nfs/dbraw/zinc/14/38/29/620143829.db2.gz MLCMWVQGMDBJQJ-UHFFFAOYSA-N -1 1 264.310 3.321 20 5 CGBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc2ccccc2c1 ZINC000918007477 624325698 /nfs/dbraw/zinc/32/56/98/624325698.db2.gz BHOSSECDWJKQMN-UHFFFAOYSA-N -1 1 295.298 3.353 20 5 CGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c(cccc3Cl)[nH]2)c1 ZINC001251386469 805889701 /nfs/dbraw/zinc/88/97/01/805889701.db2.gz ZDGKNKKAGKSAHS-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM CC(C)c1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1 ZINC001212893096 815178722 /nfs/dbraw/zinc/17/87/22/815178722.db2.gz MCUOYWWIWVYZSI-UHFFFAOYSA-N -1 1 299.290 3.158 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2ccc(F)cc2[O-])c1F ZINC001215295282 815504125 /nfs/dbraw/zinc/50/41/25/815504125.db2.gz UKIYSELYTWALHT-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1cc2c(cccc2N)n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399803 814446176 /nfs/dbraw/zinc/44/61/76/814446176.db2.gz VJTIRCOVPCIJPG-UHFFFAOYSA-N -1 1 283.287 3.135 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1Nc1ccnc(Cl)c1[O-] ZINC001210952428 814690059 /nfs/dbraw/zinc/69/00/59/814690059.db2.gz HFZMTIRYCJUBSP-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225661604 817131074 /nfs/dbraw/zinc/13/10/74/817131074.db2.gz MWJPHFJNCQJKSP-ZDUSSCGKSA-N -1 1 286.287 3.070 20 5 CGBDMM CC(C)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225667316 817134189 /nfs/dbraw/zinc/13/41/89/817134189.db2.gz RDGQSJZFQJLVQH-CQSZACIVSA-N -1 1 288.303 3.472 20 5 CGBDMM O=c1c2cc(OC3CCC3)c([O-])cc2oc2cccc(O)c12 ZINC001227306903 817622240 /nfs/dbraw/zinc/62/22/40/817622240.db2.gz PPOZFDQYTKQVFA-UHFFFAOYSA-N -1 1 298.294 3.289 20 5 CGBDMM CCC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228140645 817821767 /nfs/dbraw/zinc/82/17/67/817821767.db2.gz LKIUKQSBSKCJCP-NSHDSACASA-N -1 1 289.291 3.011 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3ccccc32)c1 ZINC001229398103 932144581 /nfs/dbraw/zinc/14/45/81/932144581.db2.gz PYDMTXBYJXHUCC-CQSZACIVSA-N -1 1 271.272 3.367 20 5 CGBDMM CC1(C)[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3[O-])C[C@@H]21 ZINC001229396432 932144915 /nfs/dbraw/zinc/14/49/15/932144915.db2.gz TZBGOZVVBSMVKU-RTCCRHLQSA-N -1 1 263.293 3.114 20 5 CGBDMM CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1O ZINC001588464457 963277682 /nfs/dbraw/zinc/27/76/82/963277682.db2.gz WJTHOUHKFLLWTP-UHFFFAOYSA-N -1 1 289.291 3.004 20 5 CGBDMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1[N+](=O)[O-] ZINC000181826611 374177908 /nfs/dbraw/zinc/17/79/08/374177908.db2.gz JFQFKAARJPNPKE-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000335973832 375584578 /nfs/dbraw/zinc/58/45/78/375584578.db2.gz UGYISSPYCXZUDA-UHFFFAOYSA-N -1 1 279.683 3.137 20 5 CGBDMM O=[N+]([O-])c1cnc([N-]c2csc3ccccc23)nc1 ZINC000354598827 380500604 /nfs/dbraw/zinc/50/06/04/380500604.db2.gz IRGJLHFACOEACS-UHFFFAOYSA-N -1 1 272.289 3.343 20 5 CGBDMM C[C@@H]1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000356183833 393371642 /nfs/dbraw/zinc/37/16/42/393371642.db2.gz BLYKXCKMJPJZLT-BDAKNGLRSA-N -1 1 276.296 3.267 20 5 CGBDMM CC1CCC(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1 ZINC000356193535 393376710 /nfs/dbraw/zinc/37/67/10/393376710.db2.gz NKPQPSSQXIINFW-UHFFFAOYSA-N -1 1 276.296 3.267 20 5 CGBDMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000132863788 287412042 /nfs/dbraw/zinc/41/20/42/287412042.db2.gz HENNBLMBEUYKHK-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM COc1cc2[nH]c(-c3cc([O-])ccc3[N+](=O)[O-])nc2cc1C ZINC001250853893 805788003 /nfs/dbraw/zinc/78/80/03/805788003.db2.gz JAIIERWJTVLKDZ-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)c(Cl)c1[O-] ZINC001203575881 812397774 /nfs/dbraw/zinc/39/77/74/812397774.db2.gz IOVYNIYSZMBKOY-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001204475927 812652625 /nfs/dbraw/zinc/65/26/25/812652625.db2.gz IJEPUAVRSFTDJQ-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1ccc([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cc1 ZINC001225665480 817132688 /nfs/dbraw/zinc/13/26/88/817132688.db2.gz AQCOUXWFSNBRKH-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM CCCC[C@@H](CCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666708 817133090 /nfs/dbraw/zinc/13/30/90/817133090.db2.gz LDLJJGKJTPBGFI-SNVBAGLBSA-N -1 1 268.313 3.433 20 5 CGBDMM CC(C)c1cc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])no1 ZINC001440289248 937327727 /nfs/dbraw/zinc/32/77/27/937327727.db2.gz QFDJEGLSIJYONP-UHFFFAOYSA-N -1 1 293.254 3.098 20 5 CGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c([O-])cccc1F ZINC000089541283 345770333 /nfs/dbraw/zinc/77/03/33/345770333.db2.gz ONCAUUJNUUBVHN-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1-c1nc2cccc(F)c2c(=O)[n-]1 ZINC000609224134 348340478 /nfs/dbraw/zinc/34/04/78/348340478.db2.gz ILUCUECVJLIHBG-UHFFFAOYSA-N -1 1 299.261 3.358 20 5 CGBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([O-])ccc1Cl ZINC000433107058 393688176 /nfs/dbraw/zinc/68/81/76/393688176.db2.gz URWRJLZCMZMSFC-UHFFFAOYSA-N -1 1 292.678 3.206 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(CCC3CCCCC3)no2)[n-]1 ZINC000546338951 288924127 /nfs/dbraw/zinc/92/41/27/288924127.db2.gz FNUZIDDRSZOJTO-UHFFFAOYSA-N -1 1 290.323 3.486 20 5 CGBDMM C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549545514 289046165 /nfs/dbraw/zinc/04/61/65/289046165.db2.gz XPQJZUJATOWHGT-WPGHFRTFSA-N -1 1 290.363 3.311 20 5 CGBDMM Cc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000436904591 534229530 /nfs/dbraw/zinc/22/95/30/534229530.db2.gz XOCMXQQJEBMQTM-UHFFFAOYSA-N -1 1 297.270 3.326 20 5 CGBDMM Cc1cc(F)cc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c21 ZINC001251385985 805890366 /nfs/dbraw/zinc/89/03/66/805890366.db2.gz OHBXOHGZCIWIDG-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001201229728 811801995 /nfs/dbraw/zinc/80/19/95/811801995.db2.gz PTBKSSFKKRWHBR-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(Cl)nc2)ccc1[O-] ZINC001210393051 814440277 /nfs/dbraw/zinc/44/02/77/814440277.db2.gz MATWRYYNIJZPOJ-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(Cl)n1 ZINC001210396216 814444662 /nfs/dbraw/zinc/44/46/62/814444662.db2.gz NVJJLYWKTIFPKJ-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001211196844 814846234 /nfs/dbraw/zinc/84/62/34/814846234.db2.gz GGCODRGXZHRZAF-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1ccc2c(c1)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])CC2 ZINC001225661169 817131461 /nfs/dbraw/zinc/13/14/61/817131461.db2.gz LMCRQQRUZAPQMG-CYBMUJFWSA-N -1 1 286.287 3.070 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)c2cccnc2F)cc1[N+](=O)[O-] ZINC001229752494 932479890 /nfs/dbraw/zinc/47/98/90/932479890.db2.gz BDEUQSXPPKJNBU-VIFPVBQESA-N -1 1 292.266 3.283 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)COC(C)(C)C)cc1[N+](=O)[O-] ZINC001229751915 932480185 /nfs/dbraw/zinc/48/01/85/932480185.db2.gz YZWVEYNNNSZWDC-JTQLQIEISA-N -1 1 283.324 3.191 20 5 CGBDMM COC(C)(C)C[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229755573 932481108 /nfs/dbraw/zinc/48/11/08/932481108.db2.gz YYFIEZAZKZHDEB-SNVBAGLBSA-N -1 1 283.324 3.191 20 5 CGBDMM COC1=CC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])CC1 ZINC001229754861 932481317 /nfs/dbraw/zinc/48/13/17/932481317.db2.gz UGETZLGNAYVYEI-LLVKDONJSA-N -1 1 279.292 3.070 20 5 CGBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(CC2CC2)c1 ZINC000611412683 348448821 /nfs/dbraw/zinc/44/88/21/348448821.db2.gz FANSXPKCGAPORK-UHFFFAOYSA-N -1 1 264.310 3.006 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Cl)no2)[n-]1 ZINC000356074158 228110839 /nfs/dbraw/zinc/11/08/39/228110839.db2.gz HCMPXFYOJNHYOY-UHFFFAOYSA-N -1 1 290.666 3.293 20 5 CGBDMM C[C@H]1CCCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356577025 279656437 /nfs/dbraw/zinc/65/64/37/279656437.db2.gz KDOFMKVKGYZVGH-IUCAKERBSA-N -1 1 276.296 3.267 20 5 CGBDMM O=[N+]([O-])c1ccc([N-]c2nc(C(F)(F)F)cs2)cn1 ZINC001203560150 812393599 /nfs/dbraw/zinc/39/35/99/812393599.db2.gz HTIIMTYGHYSKHW-UHFFFAOYSA-N -1 1 290.226 3.209 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)ncc2F)ccc1[O-] ZINC001210392867 814440779 /nfs/dbraw/zinc/44/07/79/814440779.db2.gz KNSZQEXVRSGDTB-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM O=c1[nH]cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c2ccccc12 ZINC001210394081 814442134 /nfs/dbraw/zinc/44/21/34/814442134.db2.gz NHOCOGHMUNZANJ-UHFFFAOYSA-N -1 1 297.270 3.298 20 5 CGBDMM C[C@@H]1CCc2cc(N)ccc2N1c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394991 814442374 /nfs/dbraw/zinc/44/23/74/814442374.db2.gz LRCTVJYHCXIJOJ-SNVBAGLBSA-N -1 1 299.330 3.355 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1cc(Cl)ncc1[O-] ZINC001210445024 814459668 /nfs/dbraw/zinc/45/96/68/814459668.db2.gz VWVREQCTWNIDTN-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM CC(C)[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860306 818026256 /nfs/dbraw/zinc/02/62/56/818026256.db2.gz STTSQOIWOCODAW-LURJTMIESA-N -1 1 294.229 3.138 20 5 CGBDMM CC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498591 818628128 /nfs/dbraw/zinc/62/81/28/818628128.db2.gz MILYANISIQXEBA-ZCFIWIBFSA-N -1 1 269.688 3.302 20 5 CGBDMM Cc1ccc([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001229396357 932144670 /nfs/dbraw/zinc/14/46/70/932144670.db2.gz SJESDMGNIRAAOF-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM CCc1cc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC001538235386 938116392 /nfs/dbraw/zinc/11/63/92/938116392.db2.gz BDDATKIAZVLGAL-UHFFFAOYSA-N -1 1 295.682 3.051 20 5 CGBDMM O=[N+]([O-])c1ccc(/C=C/c2c(F)ccc([O-])c2F)nc1 ZINC000359525566 233329094 /nfs/dbraw/zinc/32/90/94/233329094.db2.gz NUJLWFOISDVELS-DUXPYHPUSA-N -1 1 278.214 3.144 20 5 CGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(CC1CCC1)c1ccccc1 ZINC000438420559 237486636 /nfs/dbraw/zinc/48/66/36/237486636.db2.gz WRBKMCJYZAQXAA-UHFFFAOYSA-N -1 1 299.330 3.370 20 5 CGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000340329836 377004737 /nfs/dbraw/zinc/00/47/37/377004737.db2.gz VNKUHUSNFZJLIR-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM C[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C(C)(C)C ZINC000356880019 380915443 /nfs/dbraw/zinc/91/54/43/380915443.db2.gz LJQFTZFEIGPEBU-ZETCQYMHSA-N -1 1 264.285 3.123 20 5 CGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C1CC1 ZINC000355949600 228063080 /nfs/dbraw/zinc/06/30/80/228063080.db2.gz VMZGGCVJBSAQCU-UHFFFAOYSA-N -1 1 285.303 3.361 20 5 CGBDMM O=C(OC/C=C\c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769050373 627520337 /nfs/dbraw/zinc/52/03/37/627520337.db2.gz ULJYAEXTQXKSKC-DAXSKMNVSA-N -1 1 299.282 3.171 20 5 CGBDMM O=C([N-]c1cscc1Cl)c1ccc([N+](=O)[O-])o1 ZINC001133289979 803467034 /nfs/dbraw/zinc/46/70/34/803467034.db2.gz LGTVHTGPMYSDPW-UHFFFAOYSA-N -1 1 272.669 3.155 20 5 CGBDMM COc1ccc(Nc2cc(F)c([O-])cc2F)c([N+](=O)[O-])c1 ZINC001248478288 804936898 /nfs/dbraw/zinc/93/68/98/804936898.db2.gz NRXQSEUTIZFISB-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001175738599 809526043 /nfs/dbraw/zinc/52/60/43/809526043.db2.gz MTAZOBGQXDCPPU-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001204477352 812652407 /nfs/dbraw/zinc/65/24/07/812652407.db2.gz UFFKFGLJNHWVQE-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cc(Cl)ncc1[O-] ZINC001211287063 814871171 /nfs/dbraw/zinc/87/11/71/814871171.db2.gz DFXXCLYEQSYQRM-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM Cc1ccc([C@@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])c(C)c1 ZINC001225666146 817132671 /nfs/dbraw/zinc/13/26/71/817132671.db2.gz GSNBQDFXCHGBOB-LLVKDONJSA-N -1 1 288.303 3.452 20 5 CGBDMM CC(C)C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225666479 817132864 /nfs/dbraw/zinc/13/28/64/817132864.db2.gz JJGJEFQLPNFFPW-NSHDSACASA-N -1 1 268.313 3.145 20 5 CGBDMM CCC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001225666794 817133057 /nfs/dbraw/zinc/13/30/57/817133057.db2.gz MMSFOWPQVNYIGW-JTQLQIEISA-N -1 1 268.313 3.289 20 5 CGBDMM CC[C@@H]1CCCC[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667440 817134007 /nfs/dbraw/zinc/13/40/07/817134007.db2.gz STEZYGHUUIRUIG-MWLCHTKSSA-N -1 1 266.297 3.043 20 5 CGBDMM C[C@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395437 927343501 /nfs/dbraw/zinc/34/35/01/927343501.db2.gz IMBVCALKDWNATM-GXSJLCMTSA-N -1 1 251.282 3.258 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC001229749436 932478519 /nfs/dbraw/zinc/47/85/19/932478519.db2.gz ANBVEMDESVVBRQ-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1CC ZINC000601939186 347926648 /nfs/dbraw/zinc/92/66/48/347926648.db2.gz KJORSXAYEPFCIZ-JTQLQIEISA-N -1 1 293.298 3.263 20 5 CGBDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC000610339790 348375562 /nfs/dbraw/zinc/37/55/62/348375562.db2.gz PWKGEHWRQZRXAA-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1ccc(C)c(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355847347 228020124 /nfs/dbraw/zinc/02/01/24/228020124.db2.gz FVBGQZROKYKPSB-UHFFFAOYSA-N -1 1 298.302 3.181 20 5 CGBDMM C[C@H]1CCCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356577024 279659253 /nfs/dbraw/zinc/65/92/53/279659253.db2.gz KDOFMKVKGYZVGH-DTWKUNHWSA-N -1 1 276.296 3.267 20 5 CGBDMM Cc1nc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)co1 ZINC000345192943 281813913 /nfs/dbraw/zinc/81/39/13/281813913.db2.gz UWDKOHJEDOOWGK-UHFFFAOYSA-N -1 1 277.283 3.452 20 5 CGBDMM CC(C)(C)n1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000770501370 627622584 /nfs/dbraw/zinc/62/25/84/627622584.db2.gz JONFIFYTRWGGTM-UHFFFAOYSA-N -1 1 266.326 3.351 20 5 CGBDMM Cc1ccc(N(CC2CC2)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000923678188 635606649 /nfs/dbraw/zinc/60/66/49/635606649.db2.gz IGBORAOVTGCPJD-UHFFFAOYSA-N -1 1 299.330 3.288 20 5 CGBDMM COc1cc([N+](=O)[O-])cc(-c2nc3cccc(C)c3[nH]2)c1[O-] ZINC001250820825 805782581 /nfs/dbraw/zinc/78/25/81/805782581.db2.gz RJWMIJVJBBAREX-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(Cl)ncc2[O-])c1 ZINC001175734526 809522651 /nfs/dbraw/zinc/52/26/51/809522651.db2.gz SNXIVAVEPNFXMI-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM Cc1ccc(Nc2ncc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001213661379 815319270 /nfs/dbraw/zinc/31/92/70/815319270.db2.gz DHNGEMFIMPMOCW-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM Cc1ccc([N-]c2ncc(F)s2)c([N+](=O)[O-])c1 ZINC001214165313 815375028 /nfs/dbraw/zinc/37/50/28/815375028.db2.gz PYWKNAMVOOQPCY-UHFFFAOYSA-N -1 1 253.258 3.242 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001201224708 811801209 /nfs/dbraw/zinc/80/12/09/811801209.db2.gz QQBUQWSNAALIHT-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccnc(Cl)c2F)ccc1[O-] ZINC001210393499 814440406 /nfs/dbraw/zinc/44/04/06/814440406.db2.gz CIJGBNNEPJNZQX-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM Cc1cc(Cl)nc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210394027 814442161 /nfs/dbraw/zinc/44/21/61/814442161.db2.gz MBCNUSBYFCYETM-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2cc(Cl)ncc2[O-])c1 ZINC001216482672 815838059 /nfs/dbraw/zinc/83/80/59/815838059.db2.gz PRRLYAQMEBHDLK-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM CCCC[C@H](CCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666706 817132513 /nfs/dbraw/zinc/13/25/13/817132513.db2.gz LDLJJGKJTPBGFI-JTQLQIEISA-N -1 1 268.313 3.433 20 5 CGBDMM CC[C@H](C)CC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666392 817132895 /nfs/dbraw/zinc/13/28/95/817132895.db2.gz HXKHQYNHURDTLC-UWVGGRQHSA-N -1 1 268.313 3.289 20 5 CGBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CC3)ccc21 ZINC001229516982 932164392 /nfs/dbraw/zinc/16/43/92/932164392.db2.gz LOFYJUZDRKINRQ-UHFFFAOYSA-N -1 1 268.268 3.193 20 5 CGBDMM CC(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340532598 275755895 /nfs/dbraw/zinc/75/58/95/275755895.db2.gz GKFYLCMKLPOEHW-UHFFFAOYSA-N -1 1 273.292 3.299 20 5 CGBDMM Cc1cccc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c21 ZINC001251046714 805836347 /nfs/dbraw/zinc/83/63/47/805836347.db2.gz YJJTYGAONSGSDI-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM COc1cc2[nH]c(-c3cccc([N+](=O)[O-])c3[O-])nc2cc1C ZINC001251271433 805875720 /nfs/dbraw/zinc/87/57/20/805875720.db2.gz FGRKBMBDULPPML-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM Cc1cc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2cc1C ZINC001251386481 805889990 /nfs/dbraw/zinc/88/99/90/805889990.db2.gz ZQHNDGBHZPBVNM-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc([O-])c(F)c(F)c1 ZINC001249545869 805171882 /nfs/dbraw/zinc/17/18/82/805171882.db2.gz QXHNNRPRJGQIAI-UHFFFAOYSA-N -1 1 281.218 3.026 20 5 CGBDMM O=[N+]([O-])/C=C/c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001175901665 809567905 /nfs/dbraw/zinc/56/79/05/809567905.db2.gz WHMPGIFVPUSVEH-SOFGYWHQSA-N -1 1 291.694 3.432 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001201222109 811799190 /nfs/dbraw/zinc/79/91/90/811799190.db2.gz KPKOUFISTCELSQ-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM O=[N+]([O-])c1ccccc1[N-]c1ncc2ccccc2n1 ZINC001206140252 813210387 /nfs/dbraw/zinc/21/03/87/813210387.db2.gz NGKIPWIBWCYHHZ-UHFFFAOYSA-N -1 1 266.260 3.282 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cncc(C(F)(F)F)c2)ccc1[O-] ZINC001210392772 814440305 /nfs/dbraw/zinc/44/03/05/814440305.db2.gz JKUWUHDQYSIAKP-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM COc1cnc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210393495 814440851 /nfs/dbraw/zinc/44/08/51/814440851.db2.gz CEOCGHQUMCEFRK-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)ncc2[O-])ccc1F ZINC001211190436 814844095 /nfs/dbraw/zinc/84/40/95/814844095.db2.gz ADUKVEWQZQGSAS-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM CCC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])[C@@H](C)CC ZINC001225667068 817134415 /nfs/dbraw/zinc/13/44/15/817134415.db2.gz OUKKAPWFUCEZLR-ONGXEEELSA-N -1 1 268.313 3.289 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccs2)n1 ZINC001231259054 818065305 /nfs/dbraw/zinc/06/53/05/818065305.db2.gz DTUGKLRKXXBSLP-QMMMGPOBSA-N -1 1 280.305 3.205 20 5 CGBDMM CC[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234876628 818942830 /nfs/dbraw/zinc/94/28/30/818942830.db2.gz IAPGDSVPSKKJMH-LURJTMIESA-N -1 1 290.113 3.240 20 5 CGBDMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1CC ZINC000601935241 347925760 /nfs/dbraw/zinc/92/57/60/347925760.db2.gz RIGFKDVRUNXBFS-LBPRGKRZSA-N -1 1 275.308 3.124 20 5 CGBDMM O=C(Nc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000611307524 348438422 /nfs/dbraw/zinc/43/84/22/348438422.db2.gz NTNJDKGBPCXSOL-UHFFFAOYSA-N -1 1 271.276 3.053 20 5 CGBDMM CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1CC ZINC000490195086 393635618 /nfs/dbraw/zinc/63/56/18/393635618.db2.gz RGVPJLDUQCXSHW-UHFFFAOYSA-N -1 1 287.319 3.300 20 5 CGBDMM CCC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCC1 ZINC000445780154 393822481 /nfs/dbraw/zinc/82/24/81/393822481.db2.gz CALFNUBBHARLOP-UHFFFAOYSA-N -1 1 276.296 3.195 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccccc2)CCC1 ZINC000339022535 296508111 /nfs/dbraw/zinc/50/81/11/296508111.db2.gz OLALGCOTKFHAOW-UHFFFAOYSA-N -1 1 298.342 3.469 20 5 CGBDMM Cc1ccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339064849 292246968 /nfs/dbraw/zinc/24/69/68/292246968.db2.gz FWTJHFGGSZMYLY-LBPRGKRZSA-N -1 1 286.331 3.460 20 5 CGBDMM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000128470127 287311881 /nfs/dbraw/zinc/31/18/81/287311881.db2.gz UUFCXXTVKJXKKZ-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)o1 ZINC000060742200 623064399 /nfs/dbraw/zinc/06/43/99/623064399.db2.gz WGIKYMIEWWIKIF-UHFFFAOYSA-N -1 1 284.630 3.233 20 5 CGBDMM CCn1c2ccccc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251389540 805890191 /nfs/dbraw/zinc/89/01/91/805890191.db2.gz OEHMPGZSNLFZAD-UHFFFAOYSA-N -1 1 283.287 3.337 20 5 CGBDMM O=C1CCc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201222474 811799679 /nfs/dbraw/zinc/79/96/79/811799679.db2.gz MUHJMADBAIHWPS-UHFFFAOYSA-N -1 1 284.271 3.173 20 5 CGBDMM O=[N+]([O-])c1ccc([N-]c2nc3ccccc3s2)cn1 ZINC001203561136 812392618 /nfs/dbraw/zinc/39/26/18/812392618.db2.gz UQBVIDPDLBKMDQ-UHFFFAOYSA-N -1 1 272.289 3.343 20 5 CGBDMM O=c1oc2cc([O-])ccc2cc1Nc1cccc([N+](=O)[O-])c1 ZINC001204439807 812639513 /nfs/dbraw/zinc/63/95/13/812639513.db2.gz LSQFFEAHHFHQPS-UHFFFAOYSA-N -1 1 298.254 3.150 20 5 CGBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cnc1Cl ZINC001210395692 814441942 /nfs/dbraw/zinc/44/19/42/814441942.db2.gz BMYVFRMHESWEHP-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM CC(C)(C)c1nc([N-]c2ccc(F)c([N+](=O)[O-])c2)no1 ZINC001211188030 814843251 /nfs/dbraw/zinc/84/32/51/814843251.db2.gz FSRVNEDVLHMYDP-UHFFFAOYSA-N -1 1 280.259 3.158 20 5 CGBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1Cl ZINC001229398616 932145024 /nfs/dbraw/zinc/14/50/24/932145024.db2.gz WJNXHFUYAKTHSC-MRVPVSSYSA-N -1 1 294.694 3.489 20 5 CGBDMM O=[N+]([O-])c1ccc(/C=C/c2cc([O-])cc(F)c2)nc1 ZINC000349049012 379145897 /nfs/dbraw/zinc/14/58/97/379145897.db2.gz FFCZNPQOTICWKB-OWOJBTEDSA-N -1 1 260.224 3.005 20 5 CGBDMM O=C(Nc1cccc(C2CCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000362256969 381922780 /nfs/dbraw/zinc/92/27/80/381922780.db2.gz IUADJHBCDOPEFD-UHFFFAOYSA-N -1 1 285.303 3.443 20 5 CGBDMM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cn(C)nc2C(C)C)n1 ZINC000360265703 278665796 /nfs/dbraw/zinc/66/57/96/278665796.db2.gz ITQONIQACIJASJ-UHFFFAOYSA-N -1 1 289.339 3.207 20 5 CGBDMM C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549545515 289046207 /nfs/dbraw/zinc/04/62/07/289046207.db2.gz XPQJZUJATOWHGT-XFJVYGCCSA-N -1 1 290.363 3.311 20 5 CGBDMM CC(C)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000555376918 289342376 /nfs/dbraw/zinc/34/23/76/289342376.db2.gz GDEYSIFPRKQQID-UHFFFAOYSA-N -1 1 278.352 3.168 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc4ccccc4o3)no2)[n-]1 ZINC000350965316 335554014 /nfs/dbraw/zinc/55/40/14/335554014.db2.gz RJJBMSXPNUOYJD-UHFFFAOYSA-N -1 1 296.242 3.386 20 5 CGBDMM O=C(Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917896882 624317701 /nfs/dbraw/zinc/31/77/01/624317701.db2.gz YVFIWBQPBBSBDF-UHFFFAOYSA-N -1 1 281.271 3.328 20 5 CGBDMM C[C@H](C(=O)[N-]OC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000762284825 627104579 /nfs/dbraw/zinc/10/45/79/627104579.db2.gz WLLBUBCVXPBAHA-NSHDSACASA-N -1 1 292.335 3.079 20 5 CGBDMM O=C(O[C@@H]1CCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784213921 628795370 /nfs/dbraw/zinc/79/53/70/628795370.db2.gz IDOMVSVBYNQQEU-OAHLLOKOSA-N -1 1 299.282 3.145 20 5 CGBDMM C[N@@H+](Cc1ccc(O)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472815 812651061 /nfs/dbraw/zinc/65/10/61/812651061.db2.gz ZUYNQYBZWRJOSN-UHFFFAOYSA-N -1 1 290.294 3.072 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(Cl)ncc2[O-])c1F ZINC001210380072 814433466 /nfs/dbraw/zinc/43/34/66/814433466.db2.gz CSOHXZXYRUKEPU-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM CCOc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(C)n1 ZINC001210394094 814442468 /nfs/dbraw/zinc/44/24/68/814442468.db2.gz NWRUIOCFKCPJPM-UHFFFAOYSA-N -1 1 289.291 3.146 20 5 CGBDMM COC(=O)c1ccsc1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210948819 814686998 /nfs/dbraw/zinc/68/69/98/814686998.db2.gz DUAIWXVFLBEZSD-UHFFFAOYSA-N -1 1 296.279 3.326 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001216481627 815837137 /nfs/dbraw/zinc/83/71/37/815837137.db2.gz VIKDEXLDBOSBSJ-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM Cc1cccc2c1[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])CC2 ZINC001225661792 817130894 /nfs/dbraw/zinc/13/08/94/817130894.db2.gz PFCKPTRWIAKWDS-GFCCVEGCSA-N -1 1 286.287 3.070 20 5 CGBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001225664110 817132794 /nfs/dbraw/zinc/13/27/94/817132794.db2.gz JSQYWYITGCEDNM-MRVPVSSYSA-N -1 1 294.694 3.489 20 5 CGBDMM CCC[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)C ZINC001231261045 818066126 /nfs/dbraw/zinc/06/61/26/818066126.db2.gz XTJBCWKNJJPTEN-LLVKDONJSA-N -1 1 268.313 3.207 20 5 CGBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC001229396729 932144799 /nfs/dbraw/zinc/14/47/99/932144799.db2.gz XRPIGEBRWWCKQI-SECBINFHSA-N -1 1 251.282 3.258 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3ccccc3C2)c1 ZINC001229395715 932144870 /nfs/dbraw/zinc/14/48/70/932144870.db2.gz KBEWJMSSLWPSIO-CQSZACIVSA-N -1 1 285.299 3.237 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001229751962 932479911 /nfs/dbraw/zinc/47/99/11/932479911.db2.gz ZJBHPJNVWGWWDU-SCZZXKLOSA-N -1 1 251.282 3.176 20 5 CGBDMM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000601937158 347926423 /nfs/dbraw/zinc/92/64/23/347926423.db2.gz CDLPIHQHMLQNCM-JTQLQIEISA-N -1 1 295.726 3.387 20 5 CGBDMM O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604054491 348107913 /nfs/dbraw/zinc/10/79/13/348107913.db2.gz WCSIMCRLTNXSIN-UHFFFAOYSA-N -1 1 299.208 3.194 20 5 CGBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339063298 376655015 /nfs/dbraw/zinc/65/50/15/376655015.db2.gz CXOCRYPPHBPGFT-NSHDSACASA-N -1 1 272.304 3.151 20 5 CGBDMM O=[N+]([O-])c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001206172114 813224290 /nfs/dbraw/zinc/22/42/90/813224290.db2.gz CIRNJLCHNXQZAM-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(Cl)cn2)ccc1[O-] ZINC001210393240 814440621 /nfs/dbraw/zinc/44/06/21/814440621.db2.gz WHTJQULFIWFYAL-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc([O-])c(F)c(F)c2)ccc1F ZINC001211192324 814844437 /nfs/dbraw/zinc/84/44/37/814844437.db2.gz PZBBAYPWLSNBOZ-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CC(C)=CCC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664951 817133347 /nfs/dbraw/zinc/13/33/47/817133347.db2.gz VDUFWDKHGLAJOI-SNVBAGLBSA-N -1 1 266.297 3.209 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccc(F)c2)n1 ZINC001231259653 818065105 /nfs/dbraw/zinc/06/51/05/818065105.db2.gz OYQRZZMERYUXBL-SECBINFHSA-N -1 1 292.266 3.283 20 5 CGBDMM O=[N+]([O-])c1cc2nc(OC3CCC3)[n-]c2cc1Cl ZINC001233499468 818628640 /nfs/dbraw/zinc/62/86/40/818628640.db2.gz OHJVBLHKXJQLCS-UHFFFAOYSA-N -1 1 267.672 3.056 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCOc3ccccc32)c1 ZINC001229395358 932145153 /nfs/dbraw/zinc/14/51/53/932145153.db2.gz HKSGKUMSSAMVFJ-CQSZACIVSA-N -1 1 287.271 3.203 20 5 CGBDMM Cc1cc([O-])c(OC2CCCCC2)cc1[N+](=O)[O-] ZINC001229749583 932480161 /nfs/dbraw/zinc/48/01/61/932480161.db2.gz FCXAETCAGZWIJH-UHFFFAOYSA-N -1 1 251.282 3.320 20 5 CGBDMM Cc1nocc1[N-]C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001537836964 938113858 /nfs/dbraw/zinc/11/38/58/938113858.db2.gz NPUWBNAFQLLPEF-UHFFFAOYSA-N -1 1 295.682 3.105 20 5 CGBDMM CCCCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000601936023 347926605 /nfs/dbraw/zinc/92/66/05/347926605.db2.gz OHPYVMOCMXXMKN-UHFFFAOYSA-N -1 1 275.308 3.186 20 5 CGBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(CC(F)(F)F)c1 ZINC000611411921 348448923 /nfs/dbraw/zinc/44/89/23/348448923.db2.gz GAAHNQQIEGRKKQ-UHFFFAOYSA-N -1 1 292.242 3.159 20 5 CGBDMM CC(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000350839292 379592257 /nfs/dbraw/zinc/59/22/57/379592257.db2.gz JKCVMHPWHGPITK-UHFFFAOYSA-N -1 1 299.290 3.158 20 5 CGBDMM CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000354989723 380566346 /nfs/dbraw/zinc/56/63/46/380566346.db2.gz GQIRFCSMOBXOTD-UHFFFAOYSA-N -1 1 273.292 3.046 20 5 CGBDMM CCCc1cc([N-]c2ccc(OC)cc2[N+](=O)[O-])on1 ZINC001248457171 804934588 /nfs/dbraw/zinc/93/45/88/804934588.db2.gz MUZQMIXYMOQKOT-UHFFFAOYSA-N -1 1 277.280 3.288 20 5 CGBDMM O=[N+]([O-])c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174478577 809034117 /nfs/dbraw/zinc/03/41/17/809034117.db2.gz PZBMHRDMWFWKKC-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1ccc([N-]c2nc(-c3ccncc3)cs2)cn1 ZINC001203560923 812391994 /nfs/dbraw/zinc/39/19/94/812391994.db2.gz RCBHMUKEQHFEQR-UHFFFAOYSA-N -1 1 299.315 3.252 20 5 CGBDMM Nc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1[N+](=O)[O-] ZINC001209935636 814204758 /nfs/dbraw/zinc/20/47/58/814204758.db2.gz BKPQXMJCMUPPHK-UHFFFAOYSA-N -1 1 297.673 3.419 20 5 CGBDMM Cc1cnc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210392683 814440439 /nfs/dbraw/zinc/44/04/39/814440439.db2.gz IAJBNYYIBBMBIG-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2csc3nccnc23)ccc1[O-] ZINC001210394208 814442182 /nfs/dbraw/zinc/44/21/82/814442182.db2.gz RQRPAQXIOSYZGI-UHFFFAOYSA-N -1 1 288.288 3.049 20 5 CGBDMM CCCc1ccnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210394813 814442450 /nfs/dbraw/zinc/44/24/50/814442450.db2.gz ILFFRATXBCWUEC-UHFFFAOYSA-N -1 1 273.292 3.392 20 5 CGBDMM Cc1nc2c(Nc3ccc([O-])c([N+](=O)[O-])c3)cccn2c1C ZINC001210394988 814442800 /nfs/dbraw/zinc/44/28/00/814442800.db2.gz LOQVGFZXSAGJOC-UHFFFAOYSA-N -1 1 298.302 3.309 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cncc(C3CC3)c2)ccc1[O-] ZINC001210396769 814444080 /nfs/dbraw/zinc/44/40/80/814444080.db2.gz ZSFLTKSWXQIGAU-UHFFFAOYSA-N -1 1 271.276 3.316 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1ncc(Cl)cc1[O-] ZINC001210445340 814459814 /nfs/dbraw/zinc/45/98/14/814459814.db2.gz UQAFDBXVHLRGDW-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC001229755109 932480851 /nfs/dbraw/zinc/48/08/51/932480851.db2.gz VUKQXAHFJQLDEO-MRVPVSSYSA-N -1 1 273.235 3.175 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[C@@H]3c3ccccc3)no2)[n-]1 ZINC000338070851 214388128 /nfs/dbraw/zinc/38/81/28/214388128.db2.gz WJOHNFMMBBQAGE-GHMZBOCLSA-N -1 1 296.286 3.244 20 5 CGBDMM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1C(C)C ZINC000597894866 347600623 /nfs/dbraw/zinc/60/06/23/347600623.db2.gz QVCQYWIZJDGRMX-UHFFFAOYSA-N -1 1 294.336 3.064 20 5 CGBDMM Cc1sc(C(=O)Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000340332718 377009983 /nfs/dbraw/zinc/00/99/83/377009983.db2.gz HDGUBOWQZKVAJB-UHFFFAOYSA-N -1 1 296.279 3.062 20 5 CGBDMM Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000315527663 249099435 /nfs/dbraw/zinc/09/94/35/249099435.db2.gz AJFQUERDJMKVML-UHFFFAOYSA-N -1 1 297.270 3.326 20 5 CGBDMM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343904008 378130139 /nfs/dbraw/zinc/13/01/39/378130139.db2.gz HVSNLWLOXVFGNV-UHFFFAOYSA-N -1 1 289.266 3.192 20 5 CGBDMM CCSc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000356372838 393431138 /nfs/dbraw/zinc/43/11/38/393431138.db2.gz YVDLFOQLDNOSJF-UHFFFAOYSA-N -1 1 291.332 3.287 20 5 CGBDMM CC(C)c1nn(C)cc1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000281143124 276073262 /nfs/dbraw/zinc/07/32/62/276073262.db2.gz ZQXQIHWDXSBOMD-UHFFFAOYSA-N -1 1 295.730 3.244 20 5 CGBDMM Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c2c1 ZINC001251009892 805826748 /nfs/dbraw/zinc/82/67/48/805826748.db2.gz YFZYQOYMJKSLAO-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1cc2nc(-c3cccc([N+](=O)[O-])c3[O-])[nH]c2c(C)c1 ZINC001251272018 805875017 /nfs/dbraw/zinc/87/50/17/805875017.db2.gz QPEQBDPKSMOTBS-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001175737101 809524830 /nfs/dbraw/zinc/52/48/30/809524830.db2.gz UEROMRACDXGCJZ-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC001300093757 809561386 /nfs/dbraw/zinc/56/13/86/809561386.db2.gz VZDGVCGAYLFGAT-UHFFFAOYSA-N -1 1 279.683 3.137 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cncc(Cl)c2)ccc1[O-] ZINC001210393163 814440375 /nfs/dbraw/zinc/44/03/75/814440375.db2.gz PWWUQXQYUVWKPR-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001225667038 817134030 /nfs/dbraw/zinc/13/40/30/817134030.db2.gz OMXMGAPIUGGCLB-ZETCQYMHSA-N -1 1 296.229 3.114 20 5 CGBDMM O=[N+]([O-])C[C@@H](Oc1cc([O-])c(Cl)cc1Cl)C1CC1 ZINC001229405853 932146175 /nfs/dbraw/zinc/14/61/75/932146175.db2.gz BZISIQOFCHGAPW-LLVKDONJSA-N -1 1 292.118 3.133 20 5 CGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(C)c1Cl ZINC000337843724 214283081 /nfs/dbraw/zinc/28/30/81/214283081.db2.gz HCMNEPBGABVYMR-UHFFFAOYSA-N -1 1 293.710 3.445 20 5 CGBDMM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000601943467 347928045 /nfs/dbraw/zinc/92/80/45/347928045.db2.gz QIHUOIDZWNVRGO-LBPRGKRZSA-N -1 1 275.308 3.042 20 5 CGBDMM CCCc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1CC ZINC000601932033 347925263 /nfs/dbraw/zinc/92/52/63/347925263.db2.gz MFCJGDXOUKUQNM-GFCCVEGCSA-N -1 1 275.308 3.124 20 5 CGBDMM Cc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000610853343 348405836 /nfs/dbraw/zinc/40/58/36/348405836.db2.gz DSIBQPHPZJMZHJ-UHFFFAOYSA-N -1 1 299.261 3.358 20 5 CGBDMM CSc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343204757 377928776 /nfs/dbraw/zinc/92/87/76/377928776.db2.gz KLUDTIXAGUZWTE-UHFFFAOYSA-N -1 1 291.332 3.206 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC000356094475 275034682 /nfs/dbraw/zinc/03/46/82/275034682.db2.gz UIWLGHRDDUIUEK-UHFFFAOYSA-N -1 1 290.666 3.293 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3coc4ccccc34)no2)[n-]1 ZINC000350907263 335546836 /nfs/dbraw/zinc/54/68/36/335546836.db2.gz HCRKUJHPPUDZTB-UHFFFAOYSA-N -1 1 296.242 3.386 20 5 CGBDMM CC(C)(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000913742140 623572318 /nfs/dbraw/zinc/57/23/18/623572318.db2.gz JUFJZGMPYIPTBE-UHFFFAOYSA-N -1 1 287.319 3.473 20 5 CGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc4c(cc3[nH]2)CCC4)c1 ZINC001251385838 805890127 /nfs/dbraw/zinc/89/01/27/805890127.db2.gz LNWRYPHRFCDLLO-UHFFFAOYSA-N -1 1 295.298 3.332 20 5 CGBDMM Cc1ccc([N-]c2nnccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001214171270 815377024 /nfs/dbraw/zinc/37/70/24/815377024.db2.gz BNHUDZOXQKLZOS-UHFFFAOYSA-N -1 1 298.224 3.456 20 5 CGBDMM Cc1ccc(Nc2ccnc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001214169299 815376489 /nfs/dbraw/zinc/37/64/89/815376489.db2.gz FXBRSRUTBVCOKG-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc(F)cnc2Cl)ccc1[O-] ZINC001210393504 814441236 /nfs/dbraw/zinc/44/12/36/814441236.db2.gz CKOVZBFMYOCDML-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])c(F)c1F ZINC001210444750 814458798 /nfs/dbraw/zinc/45/87/98/814458798.db2.gz ODOAPFXINQGWCB-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=c1cc[n-]c(O[C@@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC001225662284 817131049 /nfs/dbraw/zinc/13/10/49/817131049.db2.gz SHTTYBOUTNMQDH-AWEZNQCLSA-N -1 1 286.287 3.226 20 5 CGBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC3CCC3)c12 ZINC001234747366 818921521 /nfs/dbraw/zinc/92/15/21/818921521.db2.gz LIVZDLJFJYXQLN-UHFFFAOYSA-N -1 1 298.294 3.289 20 5 CGBDMM CC(=O)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229395094 932143985 /nfs/dbraw/zinc/14/39/85/932143985.db2.gz FETUKVKSQMAGIB-HNNXBMFYSA-N -1 1 287.271 3.010 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001229751630 932480073 /nfs/dbraw/zinc/48/00/73/932480073.db2.gz WYHQVYSMZKXGRJ-UFBFGSQYSA-N -1 1 251.282 3.176 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)COC(C)(C)C)cc1[N+](=O)[O-] ZINC001229751919 932480146 /nfs/dbraw/zinc/48/01/46/932480146.db2.gz YZWVEYNNNSZWDC-SNVBAGLBSA-N -1 1 283.324 3.191 20 5 CGBDMM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000120981294 370819165 /nfs/dbraw/zinc/81/91/65/370819165.db2.gz VECHXCRHUMVWCA-UHFFFAOYSA-N -1 1 295.320 3.076 20 5 CGBDMM CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000278620330 194072324 /nfs/dbraw/zinc/07/23/24/194072324.db2.gz WWMAXRQBZJFIDV-GFCCVEGCSA-N -1 1 299.330 3.323 20 5 CGBDMM CC1(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCC1 ZINC000347481705 218250888 /nfs/dbraw/zinc/25/08/88/218250888.db2.gz JWIMMZKQHDLTNP-UHFFFAOYSA-N -1 1 276.296 3.096 20 5 CGBDMM CC(C)CON=c1cc(C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000278160815 379304422 /nfs/dbraw/zinc/30/44/22/379304422.db2.gz CCHAOZDMBIWQDC-UHFFFAOYSA-N -1 1 279.218 3.008 20 5 CGBDMM CC(C)c1ccc(C=C2SC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000915840234 624041079 /nfs/dbraw/zinc/04/10/79/624041079.db2.gz YROWKHWXGMNBNQ-IZZDOVSWSA-N -1 1 292.316 3.042 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001175738302 809524484 /nfs/dbraw/zinc/52/44/84/809524484.db2.gz HNOLQFSJBCQVRJ-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001204477239 812652424 /nfs/dbraw/zinc/65/24/24/812652424.db2.gz QMGOEJXVMZNIJP-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2scnc2C2CC2)ccc1[O-] ZINC001210394855 814441552 /nfs/dbraw/zinc/44/15/52/814441552.db2.gz KJEUQMMMTTXFSP-UHFFFAOYSA-N -1 1 277.305 3.378 20 5 CGBDMM Cc1ccnc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393617 814442081 /nfs/dbraw/zinc/44/20/81/814442081.db2.gz WLNYAOCOKYMWHK-UHFFFAOYSA-N -1 1 259.265 3.056 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccccc2[S-])ccc1O ZINC001210394505 814442324 /nfs/dbraw/zinc/44/23/24/814442324.db2.gz AEKVOMQGWUIVTB-UHFFFAOYSA-N -1 1 262.290 3.333 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cccc(C3CC3)n2)ccc1[O-] ZINC001210396186 814442459 /nfs/dbraw/zinc/44/24/59/814442459.db2.gz MBHJZRMWHRHFGX-UHFFFAOYSA-N -1 1 271.276 3.316 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnc3ccc(O)cc3c2)ccc1[O-] ZINC001210393786 814442575 /nfs/dbraw/zinc/44/25/75/814442575.db2.gz ILJYUFCKLOMYJF-UHFFFAOYSA-N -1 1 297.270 3.298 20 5 CGBDMM C[C@@H](CCc1ccccc1)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665435 817133288 /nfs/dbraw/zinc/13/32/88/817133288.db2.gz ZGXIJTZIOYISFL-NSHDSACASA-N -1 1 288.303 3.096 20 5 CGBDMM CCC[C@@H](C)[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664999 817133317 /nfs/dbraw/zinc/13/33/17/817133317.db2.gz WMLVOWBZSQVWCI-MWLCHTKSSA-N -1 1 268.313 3.289 20 5 CGBDMM CC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498585 818627347 /nfs/dbraw/zinc/62/73/47/818627347.db2.gz MILYANISIQXEBA-LURJTMIESA-N -1 1 269.688 3.302 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CC3CCC2CC3)c1 ZINC001229394774 932143959 /nfs/dbraw/zinc/14/39/59/932143959.db2.gz BTVHRXDFFSADMC-ZPPKWKGLSA-N -1 1 263.293 3.258 20 5 CGBDMM O=C1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC001229396843 932145295 /nfs/dbraw/zinc/14/52/95/932145295.db2.gz ZQEHWKXAAKMYNV-HNNXBMFYSA-N -1 1 299.282 3.397 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC001229753996 932481524 /nfs/dbraw/zinc/48/15/24/932481524.db2.gz JZWILJLACXFKID-SECBINFHSA-N -1 1 292.266 3.283 20 5 CGBDMM C[C@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000601715527 347909336 /nfs/dbraw/zinc/90/93/36/347909336.db2.gz VIPWSOZSCWOXGA-LLVKDONJSA-N -1 1 299.330 3.368 20 5 CGBDMM O=[N+]([O-])c1ccc(Sc2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000302115877 201347289 /nfs/dbraw/zinc/34/72/89/201347289.db2.gz CRFBLPUXOKGDHE-UHFFFAOYSA-N -1 1 292.272 3.360 20 5 CGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c2cccnc12 ZINC000340543349 377137438 /nfs/dbraw/zinc/13/74/38/377137438.db2.gz BWKYWWAUFYCXAP-UHFFFAOYSA-N -1 1 296.286 3.032 20 5 CGBDMM O=C(Nc1cccc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000340591671 377162341 /nfs/dbraw/zinc/16/23/41/377162341.db2.gz LPMIKJQGWORXJM-UHFFFAOYSA-N -1 1 281.271 3.328 20 5 CGBDMM CCCCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000267642499 190343140 /nfs/dbraw/zinc/34/31/40/190343140.db2.gz HLZGSWGIEITARK-UHFFFAOYSA-N -1 1 287.319 3.370 20 5 CGBDMM Cc1cc(C(=O)Nc2cccc([O-])c2F)cc([N+](=O)[O-])c1 ZINC000128183496 287305254 /nfs/dbraw/zinc/30/52/54/287305254.db2.gz OZJMRWYDOCKQNI-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM COc1ccc(Nc2cc([O-])c(F)cc2F)c([N+](=O)[O-])c1 ZINC001248475070 804936708 /nfs/dbraw/zinc/93/67/08/804936708.db2.gz NGVTYJTUMKMXAY-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1ccc([N-]c2nccs2)c(Cl)c1 ZINC001248590624 804958808 /nfs/dbraw/zinc/95/88/08/804958808.db2.gz PJWBCEYFXDSTMU-UHFFFAOYSA-N -1 1 255.686 3.448 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(F)c([O-])c(F)c1 ZINC001249548840 805172990 /nfs/dbraw/zinc/17/29/90/805172990.db2.gz XMYWTEUPFHVDJJ-UHFFFAOYSA-N -1 1 281.218 3.026 20 5 CGBDMM Cc1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC001298287832 809530537 /nfs/dbraw/zinc/53/05/37/809530537.db2.gz DSJSMLOFUORHDW-UHFFFAOYSA-N -1 1 293.710 3.445 20 5 CGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC001210393422 814440386 /nfs/dbraw/zinc/44/03/86/814440386.db2.gz UEDWPGXFTOGTQF-UHFFFAOYSA-N -1 1 290.323 3.304 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccnn2-c2ccccc2)ccc1[O-] ZINC001210393454 814440424 /nfs/dbraw/zinc/44/04/24/814440424.db2.gz AVCSUOPYSCUHDB-UHFFFAOYSA-N -1 1 296.286 3.230 20 5 CGBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001225661517 817131341 /nfs/dbraw/zinc/13/13/41/817131341.db2.gz MFGAVFYOMBXMEP-SSDOTTSWSA-N -1 1 296.229 3.114 20 5 CGBDMM Cc1ccc([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])c(C)c1 ZINC001225666150 817133331 /nfs/dbraw/zinc/13/33/31/817133331.db2.gz GSNBQDFXCHGBOB-NSHDSACASA-N -1 1 288.303 3.452 20 5 CGBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001225668028 817134067 /nfs/dbraw/zinc/13/40/67/817134067.db2.gz XYJIIGJWUPMYBI-SSDOTTSWSA-N -1 1 296.229 3.114 20 5 CGBDMM CC(C)[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860307 818026669 /nfs/dbraw/zinc/02/66/69/818026669.db2.gz STTSQOIWOCODAW-ZCFIWIBFSA-N -1 1 294.229 3.138 20 5 CGBDMM CCCCC[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231260033 818065390 /nfs/dbraw/zinc/06/53/90/818065390.db2.gz QVPPCBFWTXRVRW-SNVBAGLBSA-N -1 1 268.313 3.351 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCc3ccccc32)n1 ZINC001231259114 818066032 /nfs/dbraw/zinc/06/60/32/818066032.db2.gz GEYCNMRIYQTYIP-ZDUSSCGKSA-N -1 1 286.287 3.070 20 5 CGBDMM CCCC(=O)[C@H](CCC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396750 932145332 /nfs/dbraw/zinc/14/53/32/932145332.db2.gz YPWQLKCXUMEYKC-ZDUSSCGKSA-N -1 1 281.308 3.217 20 5 CGBDMM CC[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)C ZINC001229753097 932481231 /nfs/dbraw/zinc/48/12/31/932481231.db2.gz HEDXSBXKLTZMBZ-GFCCVEGCSA-N -1 1 253.298 3.422 20 5 CGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])s1 ZINC000111667367 370403988 /nfs/dbraw/zinc/40/39/88/370403988.db2.gz LWMASEWLDGYXHN-UHFFFAOYSA-N -1 1 298.707 3.268 20 5 CGBDMM Cc1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1 ZINC000154643384 371865968 /nfs/dbraw/zinc/86/59/68/371865968.db2.gz UIFQJEOTJQNFNL-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000298915955 392577703 /nfs/dbraw/zinc/57/77/03/392577703.db2.gz AVYCRNBBPLPPNV-JTQLQIEISA-N -1 1 285.303 3.077 20 5 CGBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000111687882 287136293 /nfs/dbraw/zinc/13/62/93/287136293.db2.gz YNTWOCMRJPDPFL-UHFFFAOYSA-N -1 1 283.243 3.017 20 5 CGBDMM Cc1cn2cccc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2n1 ZINC001210393057 814440634 /nfs/dbraw/zinc/44/06/34/814440634.db2.gz MFSFTUQXFQAKCY-UHFFFAOYSA-N -1 1 284.275 3.000 20 5 CGBDMM CSc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccn1 ZINC001210395509 814441880 /nfs/dbraw/zinc/44/18/80/814441880.db2.gz YPLQGTQZHGPXNE-UHFFFAOYSA-N -1 1 277.305 3.161 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(C(F)F)cn2)ccc1[O-] ZINC001210395037 814442064 /nfs/dbraw/zinc/44/20/64/814442064.db2.gz OGGHVKCNYSVDLP-UHFFFAOYSA-N -1 1 281.218 3.377 20 5 CGBDMM CCCCC[C@H](CCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141718 817823119 /nfs/dbraw/zinc/82/31/19/817823119.db2.gz TVUUXBZJZPPYRQ-JTQLQIEISA-N -1 1 283.328 3.218 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ccccc2C)n1 ZINC001231258617 818065699 /nfs/dbraw/zinc/06/56/99/818065699.db2.gz BDMMFVNNPXDIGG-LLVKDONJSA-N -1 1 288.303 3.452 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3ccccc32)c1 ZINC001229398101 932144879 /nfs/dbraw/zinc/14/48/79/932144879.db2.gz PYDMTXBYJXHUCC-AWEZNQCLSA-N -1 1 271.272 3.367 20 5 CGBDMM C[C@H]1N(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2C1(C)C ZINC000598275875 347639288 /nfs/dbraw/zinc/63/92/88/347639288.db2.gz QPNHUTWZNOGCMZ-SNVBAGLBSA-N -1 1 299.330 3.249 20 5 CGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(Cl)c1 ZINC000334430197 374744611 /nfs/dbraw/zinc/74/46/11/374744611.db2.gz JJFPOJRSYXKPAW-UHFFFAOYSA-N -1 1 279.683 3.137 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cl)c3)no2)[n-]1 ZINC000356116827 228127295 /nfs/dbraw/zinc/12/72/95/228127295.db2.gz VNRSTNSMLRQZIE-UHFFFAOYSA-N -1 1 290.666 3.293 20 5 CGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCCCc2ccccc21 ZINC000444456201 280190289 /nfs/dbraw/zinc/19/02/89/280190289.db2.gz VZPTWPJVJJPRGH-UHFFFAOYSA-N -1 1 299.330 3.296 20 5 CGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000082192768 625324807 /nfs/dbraw/zinc/32/48/07/625324807.db2.gz BMQYXGFRUAJANB-UHFFFAOYSA-N -1 1 292.678 3.206 20 5 CGBDMM Nc1ccc(Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001209935867 814204201 /nfs/dbraw/zinc/20/42/01/814204201.db2.gz RWIPGDMDLQYSHB-UHFFFAOYSA-N -1 1 279.683 3.280 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001210379419 814433278 /nfs/dbraw/zinc/43/32/78/814433278.db2.gz YRJRSSNUFGIKHI-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM CNc1ccnc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392436 814440719 /nfs/dbraw/zinc/44/07/19/814440719.db2.gz DHMDMNSKGWSDFO-UHFFFAOYSA-N -1 1 294.698 3.134 20 5 CGBDMM Cc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC001210393994 814441728 /nfs/dbraw/zinc/44/17/28/814441728.db2.gz LJYYSWWJBHMOSD-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccnc(OC(F)F)c2)ccc1[O-] ZINC001210395700 814442524 /nfs/dbraw/zinc/44/25/24/814442524.db2.gz BTKUMSRCRUBOTA-UHFFFAOYSA-N -1 1 297.217 3.040 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnc3cccc(O)c3c2)ccc1[O-] ZINC001210396421 814444168 /nfs/dbraw/zinc/44/41/68/814444168.db2.gz RDIGINACTAFLGP-UHFFFAOYSA-N -1 1 297.270 3.298 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1snc2cccnc21 ZINC001210956320 814691894 /nfs/dbraw/zinc/69/18/94/814691894.db2.gz WTFDCUAJBRKZQN-UHFFFAOYSA-N -1 1 290.279 3.482 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001211192997 814845268 /nfs/dbraw/zinc/84/52/68/814845268.db2.gz DVPCBEKZZDKYSD-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2cc(F)c(F)cc2[O-])c1 ZINC001216484784 815839682 /nfs/dbraw/zinc/83/96/82/815839682.db2.gz ZYVSIXKOIFOEIG-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CC(C)C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225666477 817132719 /nfs/dbraw/zinc/13/27/19/817132719.db2.gz JJGJEFQLPNFFPW-LLVKDONJSA-N -1 1 268.313 3.145 20 5 CGBDMM C[C@H]1CCCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394728 932143811 /nfs/dbraw/zinc/14/38/11/932143811.db2.gz BNYCOSZJHFZUST-CABZTGNLSA-N -1 1 251.282 3.258 20 5 CGBDMM CC1(C)CC(Oc2cc([N+](=O)[O-])ccc2[O-])CC(C)(C)O1 ZINC001229396714 932145033 /nfs/dbraw/zinc/14/50/33/932145033.db2.gz XDWIWYRNKNDIQP-UHFFFAOYSA-N -1 1 295.335 3.415 20 5 CGBDMM CC[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)C ZINC001229753099 932480683 /nfs/dbraw/zinc/48/06/83/932480683.db2.gz HEDXSBXKLTZMBZ-LBPRGKRZSA-N -1 1 253.298 3.422 20 5 CGBDMM CC(C)c1oncc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001558342254 938214784 /nfs/dbraw/zinc/21/47/84/938214784.db2.gz KVPQBFSZLVWHNN-UHFFFAOYSA-N -1 1 293.254 3.098 20 5 CGBDMM Cc1ccsc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350422095 219017272 /nfs/dbraw/zinc/01/72/72/219017272.db2.gz LXERZGGOMJNEEP-UHFFFAOYSA-N -1 1 276.277 3.010 20 5 CGBDMM O=[N+]([O-])/C=C/c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001175901072 809568114 /nfs/dbraw/zinc/56/81/14/809568114.db2.gz YMXPGRDVCOVFLX-BQYQJAHWSA-N -1 1 298.258 3.321 20 5 CGBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001225666120 817132491 /nfs/dbraw/zinc/13/24/91/817132491.db2.gz GMANHSFVVJIXKF-QMMMGPOBSA-N -1 1 294.694 3.489 20 5 CGBDMM CC[C@@H](C)C[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666090 817133200 /nfs/dbraw/zinc/13/32/00/817133200.db2.gz GDTLRDGFNCCOQF-ZJUUUORDSA-N -1 1 268.313 3.289 20 5 CGBDMM Cc1cccc([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])c1 ZINC001225668182 817134828 /nfs/dbraw/zinc/13/48/28/817134828.db2.gz ZQGZQTNCFZSROP-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM CC[C@H]1CCCC[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667441 817134897 /nfs/dbraw/zinc/13/48/97/817134897.db2.gz STEZYGHUUIRUIG-ONGXEEELSA-N -1 1 266.297 3.043 20 5 CGBDMM C[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229395793 927343140 /nfs/dbraw/zinc/34/31/40/927343140.db2.gz MFQCRGDHFFMQFG-HOMQSWHASA-N -1 1 251.282 3.258 20 5 CGBDMM CC(=O)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229395096 932143667 /nfs/dbraw/zinc/14/36/67/932143667.db2.gz FETUKVKSQMAGIB-OAHLLOKOSA-N -1 1 287.271 3.010 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H](c2cccnc2)C2CC2)c1 ZINC001229396165 932145017 /nfs/dbraw/zinc/14/50/17/932145017.db2.gz QPCFOWWKIPSVGU-HNNXBMFYSA-N -1 1 286.287 3.226 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CCC(=O)CC2(C)C)cc1[N+](=O)[O-] ZINC001229749639 932479812 /nfs/dbraw/zinc/47/98/12/932479812.db2.gz GDEYBWFLVJKQTD-CQSZACIVSA-N -1 1 293.319 3.135 20 5 CGBDMM CCc1c(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]c1C(C)C ZINC000601944680 347927912 /nfs/dbraw/zinc/92/79/12/347927912.db2.gz YNXULQBHBDHYEU-LBPRGKRZSA-N -1 1 289.335 3.288 20 5 CGBDMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000609851128 348355216 /nfs/dbraw/zinc/35/52/16/348355216.db2.gz FAUGGKVHFVDOQS-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000340555261 377141469 /nfs/dbraw/zinc/14/14/69/377141469.db2.gz BICISWKPTQSMSM-UHFFFAOYSA-N -1 1 285.303 3.054 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)CCC4)no2)[n-]1 ZINC000354048422 380299775 /nfs/dbraw/zinc/29/97/75/380299775.db2.gz CLJBGIUEIOSCBA-UHFFFAOYSA-N -1 1 296.286 3.129 20 5 CGBDMM C[C@H](Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000357275690 381091378 /nfs/dbraw/zinc/09/13/78/381091378.db2.gz FIMUMIUOSHZCGM-SNVBAGLBSA-N -1 1 298.302 3.319 20 5 CGBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000339083762 392947146 /nfs/dbraw/zinc/94/71/46/392947146.db2.gz AQWTUOOLBJLNPR-VIFPVBQESA-N -1 1 278.333 3.213 20 5 CGBDMM Cc1noc(C)c1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000748635514 572981760 /nfs/dbraw/zinc/98/17/60/572981760.db2.gz BHZCUQSCGYKITC-UHFFFAOYSA-N -1 1 295.682 3.105 20 5 CGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(Cl)cc1 ZINC000918070195 624329889 /nfs/dbraw/zinc/32/98/89/624329889.db2.gz TXHCSBPRWLMNLF-UHFFFAOYSA-N -1 1 293.710 3.243 20 5 CGBDMM Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2cc1F ZINC001251046468 805835161 /nfs/dbraw/zinc/83/51/61/805835161.db2.gz SLAYNHPUWRUHIX-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM O=c1ccn(-c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)[n-]1 ZINC001174479528 809034830 /nfs/dbraw/zinc/03/48/30/809034830.db2.gz INBQWMBYZAABNF-UHFFFAOYSA-N -1 1 296.286 3.230 20 5 CGBDMM CC(C)(C)c1nc([N-]c2cccc([N+](=O)[O-])c2)no1 ZINC001204408298 812631237 /nfs/dbraw/zinc/63/12/37/812631237.db2.gz XTOBFJSMKOQTAS-UHFFFAOYSA-N -1 1 262.269 3.019 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(C3CC3)nc2)ccc1[O-] ZINC001210393559 814440293 /nfs/dbraw/zinc/44/02/93/814440293.db2.gz FQCZCYMXLBWQHA-UHFFFAOYSA-N -1 1 271.276 3.316 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cccnc2C(F)(F)F)ccc1[O-] ZINC001210393448 814440322 /nfs/dbraw/zinc/44/03/22/814440322.db2.gz AQSCPQGXACXJEQ-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(C(C)C)n1 ZINC001210392359 814440905 /nfs/dbraw/zinc/44/09/05/814440905.db2.gz BYAZXCYUOUZBQT-UHFFFAOYSA-N -1 1 276.296 3.130 20 5 CGBDMM Cc1ccccc1[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667014 817134492 /nfs/dbraw/zinc/13/44/92/817134492.db2.gz NMMWNGGNNVNPAV-SNVBAGLBSA-N -1 1 274.276 3.144 20 5 CGBDMM CCCCC[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667622 817134799 /nfs/dbraw/zinc/13/47/99/817134799.db2.gz UJXSJBSUNGDACP-SNVBAGLBSA-N -1 1 268.313 3.433 20 5 CGBDMM CC(C)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306925 817622225 /nfs/dbraw/zinc/62/22/25/817622225.db2.gz QGRGOMCVLHVMCJ-UHFFFAOYSA-N -1 1 286.283 3.145 20 5 CGBDMM CCCC[C@H](CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259402 818065070 /nfs/dbraw/zinc/06/50/70/818065070.db2.gz KPYIJBYRMAVTTE-JTQLQIEISA-N -1 1 268.313 3.351 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccc(F)c2)n1 ZINC001231259654 818065608 /nfs/dbraw/zinc/06/56/08/818065608.db2.gz OYQRZZMERYUXBL-VIFPVBQESA-N -1 1 292.266 3.283 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC001229751588 932480114 /nfs/dbraw/zinc/48/01/14/932480114.db2.gz WDJXLJHSHJCAPY-CYBMUJFWSA-N -1 1 286.287 3.070 20 5 CGBDMM CCCc1c(C)[n-]n(-c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000601935713 347925731 /nfs/dbraw/zinc/92/57/31/347925731.db2.gz MDSYMJRUKOCASZ-GFCCVEGCSA-N -1 1 275.308 3.042 20 5 CGBDMM CC[C@@H](C)CON=c1cc(C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000291975854 198122876 /nfs/dbraw/zinc/12/28/76/198122876.db2.gz WPSXHPQIXOZMFE-SSDOTTSWSA-N -1 1 293.245 3.398 20 5 CGBDMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000762284824 627104679 /nfs/dbraw/zinc/10/46/79/627104679.db2.gz WLLBUBCVXPBAHA-LLVKDONJSA-N -1 1 292.335 3.079 20 5 CGBDMM Cc1cc(F)cc2[nH]c(-c3cc([O-])ccc3[N+](=O)[O-])nc21 ZINC001250852214 805787874 /nfs/dbraw/zinc/78/78/74/805787874.db2.gz GDISVIXIGBFLHT-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM COc1ccc(Nc2ncc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001176359643 809676182 /nfs/dbraw/zinc/67/61/82/809676182.db2.gz GIYQQFGMKQYUPQ-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM CC(=O)c1ccsc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819208 811601356 /nfs/dbraw/zinc/60/13/56/811601356.db2.gz MGDLWJJLSOTMDG-UHFFFAOYSA-N -1 1 278.289 3.308 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)c(F)cc2[O-])c1 ZINC001204468078 812650054 /nfs/dbraw/zinc/65/00/54/812650054.db2.gz FGLIJXNEXRMFLX-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)cc(F)c2[O-])c1F ZINC001210386709 814436724 /nfs/dbraw/zinc/43/67/24/814436724.db2.gz XTTSZONDVUAJLJ-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1nc(Cl)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393408 814440713 /nfs/dbraw/zinc/44/07/13/814440713.db2.gz STFVXEJOLSOCKB-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM Cc1cc2cc(N)ccc2n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395004 814441601 /nfs/dbraw/zinc/44/16/01/814441601.db2.gz MLZGIJVEWJUXDL-UHFFFAOYSA-N -1 1 283.287 3.135 20 5 CGBDMM Cc1c(C)n(-c2ccc([O-])c([N+](=O)[O-])c2)c2c1cccc2N ZINC001210399351 814445839 /nfs/dbraw/zinc/44/58/39/814445839.db2.gz REZLDKVAMWLOTQ-UHFFFAOYSA-N -1 1 297.314 3.443 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1cc(F)c([O-])c(F)c1 ZINC001210446902 814461437 /nfs/dbraw/zinc/46/14/37/814461437.db2.gz SGMZRESPZGKDTQ-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001216484785 815839896 /nfs/dbraw/zinc/83/98/96/815839896.db2.gz OUGNGCUUFJHTMY-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CC[C@H](C[C@@H](C)CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666087 817133005 /nfs/dbraw/zinc/13/30/05/817133005.db2.gz GDTLRDGFNCCOQF-VHSXEESVSA-N -1 1 268.313 3.289 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)CCC(C)C)n1 ZINC001231259797 818065499 /nfs/dbraw/zinc/06/54/99/818065499.db2.gz PQPRMIWCQWQEIZ-SNVBAGLBSA-N -1 1 268.313 3.207 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC001229753422 928039103 /nfs/dbraw/zinc/03/91/03/928039103.db2.gz JDLSNMKMLFHJKT-QMMMGPOBSA-N -1 1 280.305 3.205 20 5 CGBDMM O=C([N-]c1nc(-c2ccccc2)co1)c1ccc([N+](=O)[O-])o1 ZINC001459967140 937508776 /nfs/dbraw/zinc/50/87/76/937508776.db2.gz PORIIEZBMSBPEZ-UHFFFAOYSA-N -1 1 299.242 3.095 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC001229750141 932480131 /nfs/dbraw/zinc/48/01/31/932480131.db2.gz KPDDEVUHNORFKR-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM CN(CCc1cccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093685301 345885383 /nfs/dbraw/zinc/88/53/83/345885383.db2.gz UCVLTDIFRLPMIL-UHFFFAOYSA-N -1 1 292.360 3.036 20 5 CGBDMM CCCc1c(C)[n-]n(-c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000601935714 347925993 /nfs/dbraw/zinc/92/59/93/347925993.db2.gz MDSYMJRUKOCASZ-LBPRGKRZSA-N -1 1 275.308 3.042 20 5 CGBDMM Cc1noc(C)c1[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000346387729 378563363 /nfs/dbraw/zinc/56/33/63/378563363.db2.gz SEBZBXVDSLRDQT-UHFFFAOYSA-N -1 1 295.682 3.105 20 5 CGBDMM O=[N+]([O-])c1cnc([N-]c2cccc3ccsc32)nc1 ZINC000354584751 380495644 /nfs/dbraw/zinc/49/56/44/380495644.db2.gz XBCODSORKRHVJQ-UHFFFAOYSA-N -1 1 272.289 3.343 20 5 CGBDMM O=C(Nc1cccc2ccc(O)cc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000360651313 381606722 /nfs/dbraw/zinc/60/67/22/381606722.db2.gz OLYXEHPXGYMFHJ-UHFFFAOYSA-N -1 1 297.270 3.034 20 5 CGBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)ccc1[O-] ZINC000194957018 392947973 /nfs/dbraw/zinc/94/79/73/392947973.db2.gz WVCKIIDZWFODNC-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000339083761 287040325 /nfs/dbraw/zinc/04/03/25/287040325.db2.gz AQWTUOOLBJLNPR-SECBINFHSA-N -1 1 278.333 3.213 20 5 CGBDMM C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000348200231 287340023 /nfs/dbraw/zinc/34/00/23/287340023.db2.gz UTDONLLABFXGQD-LLVKDONJSA-N -1 1 299.330 3.467 20 5 CGBDMM CC(C)CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000871948604 633923952 /nfs/dbraw/zinc/92/39/52/633923952.db2.gz VPLQDYUCKKJAAG-UHFFFAOYSA-N -1 1 275.308 3.124 20 5 CGBDMM O=[N+]([O-])c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174481272 809036443 /nfs/dbraw/zinc/03/64/43/809036443.db2.gz YQZVTOQGASGCKO-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1cccc([C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c1 ZINC001231263798 818066644 /nfs/dbraw/zinc/06/66/44/818066644.db2.gz LZSQAFQJFZKVJR-NSHDSACASA-N -1 1 288.303 3.452 20 5 CGBDMM O=[N+]([O-])C[C@H](Oc1cc([O-])c(Cl)cc1Cl)C1CC1 ZINC001229405854 932146291 /nfs/dbraw/zinc/14/62/91/932146291.db2.gz BZISIQOFCHGAPW-NSHDSACASA-N -1 1 292.118 3.133 20 5 CGBDMM CCc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000355820600 529557949 /nfs/dbraw/zinc/55/79/49/529557949.db2.gz YDIMFXHJTOBSPA-UHFFFAOYSA-N -1 1 284.275 3.202 20 5 CGBDMM O=[N+]([O-])c1ccccc1CNCc1cccc([O-])c1Cl ZINC000336901015 376025905 /nfs/dbraw/zinc/02/59/05/376025905.db2.gz SIWVLGDJWJNNJB-UHFFFAOYSA-N -1 1 292.722 3.244 20 5 CGBDMM C[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C(C)(C)C ZINC000356880017 380915581 /nfs/dbraw/zinc/91/55/81/380915581.db2.gz LJQFTZFEIGPEBU-SSDOTTSWSA-N -1 1 264.285 3.123 20 5 CGBDMM Cc1ccc([C@H](C)c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000356535037 393476583 /nfs/dbraw/zinc/47/65/83/393476583.db2.gz WXKIBHOPPYXZJQ-JTQLQIEISA-N -1 1 298.302 3.433 20 5 CGBDMM O=C([N-]c1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000070731509 165064562 /nfs/dbraw/zinc/06/45/62/165064562.db2.gz KWSOJWFLCATZDC-UHFFFAOYSA-N -1 1 284.630 3.233 20 5 CGBDMM CCOc1ccc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c2c1 ZINC001250854684 805788607 /nfs/dbraw/zinc/78/86/07/805788607.db2.gz WYTVJCLERPBCPI-UHFFFAOYSA-N -1 1 299.286 3.242 20 5 CGBDMM COc1ccc(Nc2cc(F)c([O-])cc2F)cc1[N+](=O)[O-] ZINC001176363533 809677919 /nfs/dbraw/zinc/67/79/19/809677919.db2.gz QLXALHNKFCRHCB-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM Cc1ccc([N-]c2ncc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC001214165559 815375167 /nfs/dbraw/zinc/37/51/67/815375167.db2.gz XOWFWOWMQINPTO-UHFFFAOYSA-N -1 1 298.224 3.456 20 5 CGBDMM CC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001201224666 811801461 /nfs/dbraw/zinc/80/14/61/811801461.db2.gz PKJKPIJXEBMFPY-UHFFFAOYSA-N -1 1 290.250 3.386 20 5 CGBDMM Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)n1 ZINC001210394197 814442386 /nfs/dbraw/zinc/44/23/86/814442386.db2.gz RGEOESZKMXHFLU-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM Cc1cc2ccc(N)cc2n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398643 814443926 /nfs/dbraw/zinc/44/39/26/814443926.db2.gz IUIRNPGHNJLWKT-UHFFFAOYSA-N -1 1 283.287 3.135 20 5 CGBDMM Cc1ccc2c(c1)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])CC2 ZINC001225661170 817131439 /nfs/dbraw/zinc/13/14/39/817131439.db2.gz LMCRQQRUZAPQMG-ZDUSSCGKSA-N -1 1 286.287 3.070 20 5 CGBDMM CC(C)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225667313 817134250 /nfs/dbraw/zinc/13/42/50/817134250.db2.gz RDGQSJZFQJLVQH-AWEZNQCLSA-N -1 1 288.303 3.472 20 5 CGBDMM O=c1cc[n-]c(O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001225668136 817134564 /nfs/dbraw/zinc/13/45/64/817134564.db2.gz YXRWVNFUKXEPGP-GRYCIOLGSA-N -1 1 292.335 3.433 20 5 CGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCCC1 ZINC001228858662 818024487 /nfs/dbraw/zinc/02/44/87/818024487.db2.gz FMSZMPZVNHSDCC-UHFFFAOYSA-N -1 1 292.213 3.036 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccccc2)n1 ZINC001231260138 818065981 /nfs/dbraw/zinc/06/59/81/818065981.db2.gz RYENNKPHIUELJR-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM CCCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001326391000 928569352 /nfs/dbraw/zinc/56/93/52/928569352.db2.gz MDGHSOJBGBISEX-UHFFFAOYSA-N -1 1 278.352 3.313 20 5 CGBDMM C[C@H]1CCCC[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394730 932143796 /nfs/dbraw/zinc/14/37/96/932143796.db2.gz BNYCOSZJHFZUST-JOYOIKCWSA-N -1 1 251.282 3.258 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC001229750120 932480206 /nfs/dbraw/zinc/48/02/06/932480206.db2.gz KCLHRFDWLAZCEG-VIFPVBQESA-N -1 1 251.282 3.176 20 5 CGBDMM Cc1nc(NCc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC001307201109 932928585 /nfs/dbraw/zinc/92/85/85/932928585.db2.gz KDXQXWQWKGDBOF-UHFFFAOYSA-N -1 1 293.710 3.269 20 5 CGBDMM CC(C)Cn1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000302014743 201298304 /nfs/dbraw/zinc/29/83/04/201298304.db2.gz LIOVLKIYJPCLJV-UHFFFAOYSA-N -1 1 266.326 3.252 20 5 CGBDMM COc1cc2[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)nc2cc1C ZINC000446156667 393851533 /nfs/dbraw/zinc/85/15/33/393851533.db2.gz OHWOZZPBHKKUER-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM CCn1c2ccccc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251088081 805845909 /nfs/dbraw/zinc/84/59/09/805845909.db2.gz UOXOUPSNUUBFJQ-UHFFFAOYSA-N -1 1 299.286 3.043 20 5 CGBDMM O=[N+]([O-])c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1[O-] ZINC001251271667 805875873 /nfs/dbraw/zinc/87/58/73/805875873.db2.gz IUWOBZRHJYZSQQ-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM CCOc1cc([N-]c2ccc([N+](=O)[O-])cc2Cl)no1 ZINC001248599158 804960487 /nfs/dbraw/zinc/96/04/87/804960487.db2.gz YUPDQYRXNMRIDB-UHFFFAOYSA-N -1 1 283.671 3.379 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1[O-] ZINC001302481917 809595580 /nfs/dbraw/zinc/59/55/80/809595580.db2.gz LONLHXPNFVTEMM-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM CCc1ccc(C)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392116 814440463 /nfs/dbraw/zinc/44/04/63/814440463.db2.gz BKKMZYDULLVOKR-UHFFFAOYSA-N -1 1 273.292 3.310 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc([S-])cc2)ccc1O ZINC001210400712 814445981 /nfs/dbraw/zinc/44/59/81/814445981.db2.gz JXYANGINGHQDDP-UHFFFAOYSA-N -1 1 262.290 3.333 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1cc(F)cc(F)c1[O-] ZINC001210448157 814461232 /nfs/dbraw/zinc/46/12/32/814461232.db2.gz UHAKNKBMSPEPRO-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM Cc1ccc([C@@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cc1 ZINC001225665482 817132397 /nfs/dbraw/zinc/13/23/97/817132397.db2.gz AQCOUXWFSNBRKH-SNVBAGLBSA-N -1 1 274.276 3.144 20 5 CGBDMM CCCCC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668116 817134169 /nfs/dbraw/zinc/13/41/69/817134169.db2.gz YUQRCPYUZQEMBS-SECBINFHSA-N -1 1 254.286 3.043 20 5 CGBDMM O=c1cc[n-]c(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001225668140 817134267 /nfs/dbraw/zinc/13/42/67/817134267.db2.gz YXRWVNFUKXEPGP-QJPTWQEYSA-N -1 1 292.335 3.433 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ccc(F)cc2)n1 ZINC001231258610 818065206 /nfs/dbraw/zinc/06/52/06/818065206.db2.gz AWTYCHOHAHCRTC-SECBINFHSA-N -1 1 292.266 3.283 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC001229755188 932481143 /nfs/dbraw/zinc/48/11/43/932481143.db2.gz XIDJTZXMTVCZSC-RTCCRHLQSA-N -1 1 277.320 3.422 20 5 CGBDMM CCc1c(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]c1C(C)C ZINC000601937052 347926257 /nfs/dbraw/zinc/92/62/57/347926257.db2.gz YDMLIOXNJQRIBI-GFCCVEGCSA-N -1 1 289.335 3.288 20 5 CGBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339063293 376656765 /nfs/dbraw/zinc/65/67/65/376656765.db2.gz CXOCRYPPHBPGFT-LLVKDONJSA-N -1 1 272.304 3.151 20 5 CGBDMM CCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000505012863 392645368 /nfs/dbraw/zinc/64/53/68/392645368.db2.gz HQTGLEZHZYWDGV-UHFFFAOYSA-N -1 1 284.275 3.202 20 5 CGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000003073949 626079955 /nfs/dbraw/zinc/07/99/55/626079955.db2.gz VGRRWPJXWXFFNM-UHFFFAOYSA-N -1 1 292.678 3.206 20 5 CGBDMM Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C2CCC2)cc1 ZINC000923652364 634889099 /nfs/dbraw/zinc/88/90/99/634889099.db2.gz NPXRSOVXSPPDMU-UHFFFAOYSA-N -1 1 299.330 3.431 20 5 CGBDMM Cc1ccc(F)c2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c21 ZINC001251389272 805889550 /nfs/dbraw/zinc/88/95/50/805889550.db2.gz FFPWGNSMYPJYRQ-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM CSc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C ZINC001164402351 806944678 /nfs/dbraw/zinc/94/46/78/806944678.db2.gz AOBTYIUOXWVDFA-UHFFFAOYSA-N -1 1 291.332 3.206 20 5 CGBDMM Cc1ccc(Nc2ccc(F)c([O-])c2)c([N+](=O)[O-])c1 ZINC001214171252 815377077 /nfs/dbraw/zinc/37/70/77/815377077.db2.gz AUVDDVSGKOBKTE-UHFFFAOYSA-N -1 1 262.240 3.492 20 5 CGBDMM COc1ncc(Nc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001210137481 814306203 /nfs/dbraw/zinc/30/62/03/814306203.db2.gz AZLDOHWBNDKYLB-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2ccc(F)cc2[O-])c1F ZINC001210380928 814434842 /nfs/dbraw/zinc/43/48/42/814434842.db2.gz XETQHKCEIRWXEA-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnccc2Cl)ccc1[O-] ZINC001210392476 814441163 /nfs/dbraw/zinc/44/11/63/814441163.db2.gz DTZYLIJPGLCFDI-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM Cn1nc(C(C)(C)C)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394287 814441964 /nfs/dbraw/zinc/44/19/64/814441964.db2.gz UHRWLENTUBVEOL-UHFFFAOYSA-N -1 1 290.323 3.075 20 5 CGBDMM COc1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC001210394052 814442274 /nfs/dbraw/zinc/44/22/74/814442274.db2.gz MLMXAKJWFGICPI-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2snc3cccnc32)ccc1[O-] ZINC001210396699 814443805 /nfs/dbraw/zinc/44/38/05/814443805.db2.gz WZKYVKQSSAPMSY-UHFFFAOYSA-N -1 1 288.288 3.049 20 5 CGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(C2CCC2)n1 ZINC001210396725 814444306 /nfs/dbraw/zinc/44/43/06/814444306.db2.gz XSVFDJLSRCBOIX-UHFFFAOYSA-N -1 1 288.307 3.274 20 5 CGBDMM O=c1cc[n-]c(O[C@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC001225662285 817131665 /nfs/dbraw/zinc/13/16/65/817131665.db2.gz SHTTYBOUTNMQDH-CQSZACIVSA-N -1 1 286.287 3.226 20 5 CGBDMM COc1cccc([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229396688 932145357 /nfs/dbraw/zinc/14/53/57/932145357.db2.gz WNMSAWPWHRYCMW-SNVBAGLBSA-N -1 1 289.287 3.449 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001229751964 932480233 /nfs/dbraw/zinc/48/02/33/932480233.db2.gz ZJBHPJNVWGWWDU-WPRPVWTQSA-N -1 1 251.282 3.176 20 5 CGBDMM CC[C@@H](C)[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754430 932480559 /nfs/dbraw/zinc/48/05/59/932480559.db2.gz PLVBFHMKDHZYGS-SCZZXKLOSA-N -1 1 253.298 3.422 20 5 CGBDMM Cc1cc(Cl)cc(C)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001322966128 934352500 /nfs/dbraw/zinc/35/25/00/934352500.db2.gz FZASWDQUMWCXNX-UHFFFAOYSA-N -1 1 293.710 3.445 20 5 CGBDMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1CC ZINC000601939188 347926318 /nfs/dbraw/zinc/92/63/18/347926318.db2.gz KJORSXAYEPFCIZ-SNVBAGLBSA-N -1 1 293.298 3.263 20 5 CGBDMM CCCc1c(C)[n-]n(-c2cccc([N+](=O)[O-])c2C)c1=O ZINC000601941499 347927297 /nfs/dbraw/zinc/92/72/97/347927297.db2.gz YDGJCHURMDKIIU-NSHDSACASA-N -1 1 275.308 3.042 20 5 CGBDMM CCCc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1CC ZINC000601932034 347925155 /nfs/dbraw/zinc/92/51/55/347925155.db2.gz MFCJGDXOUKUQNM-LBPRGKRZSA-N -1 1 275.308 3.124 20 5 CGBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc2ccccc21 ZINC000604343423 348116139 /nfs/dbraw/zinc/11/61/39/348116139.db2.gz SBAUHHMIXDNOPR-UHFFFAOYSA-N -1 1 295.298 3.353 20 5 CGBDMM O=C([N-]c1nc2ccsc2s1)c1ccc([N+](=O)[O-])o1 ZINC000344327492 284431412 /nfs/dbraw/zinc/43/14/12/284431412.db2.gz DIULVZNRAHMJFQ-UHFFFAOYSA-N -1 1 295.301 3.111 20 5 CGBDMM Cc1sc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000129284189 287328105 /nfs/dbraw/zinc/32/81/05/287328105.db2.gz PVRSJNCNHLVCRB-UHFFFAOYSA-N -1 1 296.279 3.062 20 5 CGBDMM O=[N+]([O-])c1cccc([N+](=O)[O-])c1Sc1cccc([O-])c1 ZINC000804613760 630542740 /nfs/dbraw/zinc/54/27/40/630542740.db2.gz BCCIWHYHHGHTSW-UHFFFAOYSA-N -1 1 292.272 3.360 20 5 CGBDMM Cc1c([N+](=O)[O-])cccc1-n1[n-]c(CCC(C)C)cc1=O ZINC000871952082 633924368 /nfs/dbraw/zinc/92/43/68/633924368.db2.gz XPRIHWVWCWFHJU-UHFFFAOYSA-N -1 1 289.335 3.432 20 5 CGBDMM Cc1cc(F)cc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc21 ZINC001250880055 805792798 /nfs/dbraw/zinc/79/27/98/805792798.db2.gz FMRGDJSFYOIDOG-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1[N-]c1nc2ccc(F)cc2o1 ZINC001248745351 804981354 /nfs/dbraw/zinc/98/13/54/804981354.db2.gz FEANRDSXXUBTOI-UHFFFAOYSA-N -1 1 288.238 3.322 20 5 CGBDMM O=[N+]([O-])c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174478488 809034023 /nfs/dbraw/zinc/03/40/23/809034023.db2.gz YWDRJMIHZAGOGX-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM CCOc1cc([N-]c2ccc(C)cc2[N+](=O)[O-])no1 ZINC001214169495 815375740 /nfs/dbraw/zinc/37/57/40/815375740.db2.gz PPBVLWGYVSGYCJ-UHFFFAOYSA-N -1 1 263.253 3.034 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)c(F)cc2[O-])c1F ZINC001210385920 814437062 /nfs/dbraw/zinc/43/70/62/814437062.db2.gz LISGKJUGGZURJC-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnccc2C2CC2)ccc1[O-] ZINC001210394565 814441930 /nfs/dbraw/zinc/44/19/30/814441930.db2.gz YQAJLQMXFUHVFG-UHFFFAOYSA-N -1 1 271.276 3.316 20 5 CGBDMM Cn1nc(C2CCC2)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395668 814442268 /nfs/dbraw/zinc/44/22/68/814442268.db2.gz ANXQJCMJKFRSQG-UHFFFAOYSA-N -1 1 288.307 3.045 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001210953474 814690053 /nfs/dbraw/zinc/69/00/53/814690053.db2.gz KYRXLHBGFSGELC-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc(F)cc(F)c2[O-])ccc1F ZINC001211197235 814846140 /nfs/dbraw/zinc/84/61/40/814846140.db2.gz RTIHEOAMSMSUHK-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM C[C@@H]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395442 927342962 /nfs/dbraw/zinc/34/29/62/927342962.db2.gz IMBVCALKDWNATM-KOLCDFICSA-N -1 1 251.282 3.258 20 5 CGBDMM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C(C)C ZINC000601937550 347926348 /nfs/dbraw/zinc/92/63/48/347926348.db2.gz CAHXBUXYUJGORH-ZDUSSCGKSA-N -1 1 293.298 3.119 20 5 CGBDMM CCCCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338901835 376567563 /nfs/dbraw/zinc/56/75/63/376567563.db2.gz GZHLFFGZJZDERK-UHFFFAOYSA-N -1 1 264.325 3.065 20 5 CGBDMM Cc1ccc(F)c(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000445447094 393793839 /nfs/dbraw/zinc/79/38/39/393793839.db2.gz QZXJNFFKICWRPB-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM Cc1cccc2nc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]c21 ZINC000123211341 287217146 /nfs/dbraw/zinc/21/71/46/287217146.db2.gz UODOGIYLNUJOOB-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1cc(F)cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355871303 533821797 /nfs/dbraw/zinc/82/17/97/533821797.db2.gz GGFXXSCBYCXSDB-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM CC(F)(F)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000440639359 528744119 /nfs/dbraw/zinc/74/41/19/528744119.db2.gz PNCYEXZNDTYXOB-UHFFFAOYSA-N -1 1 295.245 3.287 20 5 CGBDMM Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c(C)c1 ZINC001251046128 805835532 /nfs/dbraw/zinc/83/55/32/805835532.db2.gz RYQOWKFONSQKTE-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM COc1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc2cc1C ZINC001251045604 805835997 /nfs/dbraw/zinc/83/59/97/805835997.db2.gz MNLJXEVVXFQGMY-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM Cc1cccc2c1nc(-c1cc([O-])cc([N+](=O)[O-])c1)n2C ZINC001251389376 805889227 /nfs/dbraw/zinc/88/92/27/805889227.db2.gz IRCMIYDCOCMREZ-UHFFFAOYSA-N -1 1 283.287 3.163 20 5 CGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c(cc(F)cc3F)[nH]2)c1 ZINC001251386170 805889484 /nfs/dbraw/zinc/88/94/84/805889484.db2.gz SRKYQBNDMPUKLL-UHFFFAOYSA-N -1 1 291.213 3.122 20 5 CGBDMM COc1cc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2cc1C ZINC001251385998 805889895 /nfs/dbraw/zinc/88/98/95/805889895.db2.gz PAQYJJBZRZXKMH-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM O=c1oc2cc([O-])ccc2cc1Nc1ccccc1[N+](=O)[O-] ZINC001206150235 813213565 /nfs/dbraw/zinc/21/35/65/813213565.db2.gz JSCPHTSYQDNIBD-UHFFFAOYSA-N -1 1 298.254 3.150 20 5 CGBDMM O=[N+]([O-])c1ccccc1Nc1c([O-])cc(F)cc1F ZINC001206164766 813221222 /nfs/dbraw/zinc/22/12/22/813221222.db2.gz QJMHYRBJBPIEPE-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1cnc(Cl)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393866 814442823 /nfs/dbraw/zinc/44/28/23/814442823.db2.gz JISUONSPIFJFGK-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM Cc1cn(-c2ccc([O-])c([N+](=O)[O-])c2)c2cc(N)ccc12 ZINC001210399799 814446375 /nfs/dbraw/zinc/44/63/75/814446375.db2.gz VFZKUMBVDYWBKA-UHFFFAOYSA-N -1 1 283.287 3.135 20 5 CGBDMM CC/C=C(\C)[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664092 817131160 /nfs/dbraw/zinc/13/11/60/817131160.db2.gz JFQMLRCZLYYPCA-OALRPVAKSA-N -1 1 266.297 3.209 20 5 CGBDMM CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225661572 817131285 /nfs/dbraw/zinc/13/12/85/817131285.db2.gz MPXXMPSZPKMYHR-GFCCVEGCSA-N -1 1 274.276 3.226 20 5 CGBDMM CC[C@@H](C)C[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666084 817132562 /nfs/dbraw/zinc/13/25/62/817132562.db2.gz GDTLRDGFNCCOQF-NXEZZACHSA-N -1 1 268.313 3.289 20 5 CGBDMM CCCC/C=C/[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666135 817132970 /nfs/dbraw/zinc/13/29/70/817132970.db2.gz GPSCOVMLXUUYCU-FGEFZZPRSA-N -1 1 266.297 3.209 20 5 CGBDMM CCCCC[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231260031 818064883 /nfs/dbraw/zinc/06/48/83/818064883.db2.gz QVPPCBFWTXRVRW-JTQLQIEISA-N -1 1 268.313 3.351 20 5 CGBDMM CCC[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)C ZINC001231261047 818065185 /nfs/dbraw/zinc/06/51/85/818065185.db2.gz XTJBCWKNJJPTEN-NSHDSACASA-N -1 1 268.313 3.207 20 5 CGBDMM C[C@H]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395465 927343223 /nfs/dbraw/zinc/34/32/23/927343223.db2.gz IMBVCALKDWNATM-ONGXEEELSA-N -1 1 251.282 3.258 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001229751629 932480014 /nfs/dbraw/zinc/48/00/14/932480014.db2.gz WYHQVYSMZKXGRJ-QPUJVOFHSA-N -1 1 251.282 3.176 20 5 CGBDMM O=C(Nc1cccc2ccsc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000337524014 214138385 /nfs/dbraw/zinc/13/83/85/214138385.db2.gz FMYWXHBUHZCAMU-UHFFFAOYSA-N -1 1 287.300 3.390 20 5 CGBDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC000609851237 348355301 /nfs/dbraw/zinc/35/53/01/348355301.db2.gz YCVPRPCXDVMVSQ-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM CSc1cccc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000184632452 374546484 /nfs/dbraw/zinc/54/64/84/374546484.db2.gz LLQMPZZEONBIME-UHFFFAOYSA-N -1 1 292.316 3.470 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)ccc1[O-] ZINC000093900361 249038680 /nfs/dbraw/zinc/03/86/80/249038680.db2.gz LEINRYAVSQSCLK-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000348200232 378836069 /nfs/dbraw/zinc/83/60/69/378836069.db2.gz UTDONLLABFXGQD-NSHDSACASA-N -1 1 299.330 3.467 20 5 CGBDMM C/C=C\c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000489960483 393623611 /nfs/dbraw/zinc/62/36/11/393623611.db2.gz GEROQDVPRNZYEF-IHWYPQMZSA-N -1 1 271.276 3.208 20 5 CGBDMM Cc1ccccc1[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000343079101 292640263 /nfs/dbraw/zinc/64/02/63/292640263.db2.gz ODJJBUYUKPGYMK-GFCCVEGCSA-N -1 1 286.331 3.460 20 5 CGBDMM Cc1nc(S/C=C/c2ccc([N+](=O)[O-])o2)[n-]c(=O)c1C ZINC000789967958 629176984 /nfs/dbraw/zinc/17/69/84/629176984.db2.gz UNIDMSCRAULHGV-AATRIKPKSA-N -1 1 293.304 3.063 20 5 CGBDMM Cc1cc(F)cc2[nH]c(-c3cccc([N+](=O)[O-])c3[O-])nc21 ZINC001251271954 805875680 /nfs/dbraw/zinc/87/56/80/805875680.db2.gz NTKCZIXVYBPNER-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cccc(Cl)c1[O-] ZINC001249548829 805173567 /nfs/dbraw/zinc/17/35/67/805173567.db2.gz WZWBFQLEXFJAPC-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM Cc1cnc(S[C@H](C)c2ccccc2[N+](=O)[O-])[n-]c1=O ZINC001189399315 810567510 /nfs/dbraw/zinc/56/75/10/810567510.db2.gz KWZAWRSDACACKT-SECBINFHSA-N -1 1 291.332 3.252 20 5 CGBDMM CC(=O)c1sccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818884 811600965 /nfs/dbraw/zinc/60/09/65/811600965.db2.gz FUOHVMGUNYGDOQ-UHFFFAOYSA-N -1 1 278.289 3.308 20 5 CGBDMM CC(=O)c1ccsc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393479 814440484 /nfs/dbraw/zinc/44/04/84/814440484.db2.gz BIUZATDOKGVURK-UHFFFAOYSA-N -1 1 278.289 3.308 20 5 CGBDMM O=c1oc2ccccc2cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393400 814440952 /nfs/dbraw/zinc/44/09/52/814440952.db2.gz SLOSBYCIAMTXIG-UHFFFAOYSA-N -1 1 298.254 3.150 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(C(F)(F)F)nc2)ccc1[O-] ZINC001210393691 814441915 /nfs/dbraw/zinc/44/19/15/814441915.db2.gz YBXDYLCDLLNVNP-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccnn2CC2CCC2)ccc1[O-] ZINC001210395905 814442481 /nfs/dbraw/zinc/44/24/81/814442481.db2.gz IMPHOQBATINWOT-UHFFFAOYSA-N -1 1 288.307 3.041 20 5 CGBDMM CCC1CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225666499 817132265 /nfs/dbraw/zinc/13/22/65/817132265.db2.gz JRLJOLFMOJRODH-UHFFFAOYSA-N -1 1 266.297 3.043 20 5 CGBDMM CCC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])[C@@H](C)CC ZINC001225667058 817134302 /nfs/dbraw/zinc/13/43/02/817134302.db2.gz OUKKAPWFUCEZLR-GXSJLCMTSA-N -1 1 268.313 3.289 20 5 CGBDMM CC[C@@H]1CCCC[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667439 817134350 /nfs/dbraw/zinc/13/43/50/817134350.db2.gz STEZYGHUUIRUIG-KOLCDFICSA-N -1 1 266.297 3.043 20 5 CGBDMM Cc1ccccc1[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667013 817134863 /nfs/dbraw/zinc/13/48/63/817134863.db2.gz NMMWNGGNNVNPAV-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM O=[N+]([O-])c1cc2nc(OC3CCCC3)[n-]c2cc1Cl ZINC001233499393 818628847 /nfs/dbraw/zinc/62/88/47/818628847.db2.gz OBULXHSKAAYBSJ-UHFFFAOYSA-N -1 1 281.699 3.446 20 5 CGBDMM CSc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001452152404 937394458 /nfs/dbraw/zinc/39/44/58/937394458.db2.gz NAVXIWYJLVOVQD-UHFFFAOYSA-N -1 1 295.295 3.036 20 5 CGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1Cl ZINC001229398617 932144619 /nfs/dbraw/zinc/14/46/19/932144619.db2.gz WJNXHFUYAKTHSC-QMMMGPOBSA-N -1 1 294.694 3.489 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCCc3cccnc32)c1 ZINC001229397494 932144850 /nfs/dbraw/zinc/14/48/50/932144850.db2.gz JEQUFFRTPCLOIF-CYBMUJFWSA-N -1 1 286.287 3.152 20 5 CGBDMM CC(=O)[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515734 932165217 /nfs/dbraw/zinc/16/52/17/932165217.db2.gz DZBHKLQNFBECPM-JTQLQIEISA-N -1 1 298.294 3.008 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CCCC(=O)C2(C)C)cc1[N+](=O)[O-] ZINC001229755208 932481506 /nfs/dbraw/zinc/48/15/06/932481506.db2.gz XUEBMZPSUPFYHU-AWEZNQCLSA-N -1 1 293.319 3.135 20 5 CGBDMM Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000336247449 213080063 /nfs/dbraw/zinc/08/00/63/213080063.db2.gz LDGTXQNANBRBQD-UHFFFAOYSA-N -1 1 279.683 3.137 20 5 CGBDMM COc1cc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc2cc1C ZINC000446147732 295044933 /nfs/dbraw/zinc/04/49/33/295044933.db2.gz QZGRDNDPRAIWGF-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM CC(C)CCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000871940882 633921690 /nfs/dbraw/zinc/92/16/90/633921690.db2.gz OZPRCGGHAPCEBQ-UHFFFAOYSA-N -1 1 275.308 3.124 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])cc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001250852776 805788434 /nfs/dbraw/zinc/78/84/34/805788434.db2.gz LDVHLQYBGVSCPJ-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM Cc1cccc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c21 ZINC001250852721 805788751 /nfs/dbraw/zinc/78/87/51/805788751.db2.gz ISAVQOLXPMIKKJ-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1cc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2cc1F ZINC001250880976 805793033 /nfs/dbraw/zinc/79/30/33/805793033.db2.gz OTHFOWOIPYIRQQ-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c21 ZINC001251009105 805828623 /nfs/dbraw/zinc/82/86/23/805828623.db2.gz FHTLRYWWAUIJDX-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1cc(F)cc2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc21 ZINC001251046721 805836716 /nfs/dbraw/zinc/83/67/16/805836716.db2.gz YLBHYWVXSONJNZ-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM Cc1cccc2nc(-c3cccc([N+](=O)[O-])c3[O-])[nH]c21 ZINC001251271369 805875953 /nfs/dbraw/zinc/87/59/53/805875953.db2.gz CGNTYOIMEMHCQY-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1cc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc2cc1F ZINC001251385510 805889926 /nfs/dbraw/zinc/88/99/26/805889926.db2.gz DCBILGGEGBSLJY-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM COc1ccc(Nc2c([O-])cc(F)cc2F)c([N+](=O)[O-])c1 ZINC001248475027 804937254 /nfs/dbraw/zinc/93/72/54/804937254.db2.gz LLRWWHWBGFZNHS-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1[N+](=O)[O-] ZINC001176362034 809676882 /nfs/dbraw/zinc/67/68/82/809676882.db2.gz QATSFUMHENCKPE-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM Cc1cnc(S[C@@H](C)c2ccccc2[N+](=O)[O-])[n-]c1=O ZINC001189399316 810568045 /nfs/dbraw/zinc/56/80/45/810568045.db2.gz KWZAWRSDACACKT-VIFPVBQESA-N -1 1 291.332 3.252 20 5 CGBDMM CC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199828517 811600704 /nfs/dbraw/zinc/60/07/04/811600704.db2.gz KXTWULAVKXFJGD-UHFFFAOYSA-N -1 1 272.260 3.247 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cccc(C(F)(F)F)n2)ccc1[O-] ZINC001210392495 814440502 /nfs/dbraw/zinc/44/05/02/814440502.db2.gz FLQQGKKZTXILFG-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM CC(C)(C)c1nccc(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210394997 814441483 /nfs/dbraw/zinc/44/14/83/814441483.db2.gz MDXXHVHQIMTRKW-UHFFFAOYSA-N -1 1 288.307 3.132 20 5 CGBDMM COc1nccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1Cl ZINC001210393655 814442746 /nfs/dbraw/zinc/44/27/46/814442746.db2.gz XHUOVENEQGUSEG-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM O=c1cc[n-]c(O[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC001225665452 817132281 /nfs/dbraw/zinc/13/22/81/817132281.db2.gz ABRFGEYKWFHZLJ-ZDUSSCGKSA-N -1 1 286.287 3.152 20 5 CGBDMM O=[N+]([O-])C[C@@H](Oc1cc(Cl)c([O-])cc1Cl)C1CC1 ZINC001227640491 817686331 /nfs/dbraw/zinc/68/63/31/817686331.db2.gz CKVHVMHXROSXLQ-LLVKDONJSA-N -1 1 292.118 3.133 20 5 CGBDMM COc1ccccc1[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398195 932145095 /nfs/dbraw/zinc/14/50/95/932145095.db2.gz RFIQRKOAYNLLFS-SNVBAGLBSA-N -1 1 289.287 3.449 20 5 CGBDMM CC[C@H](C)[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754431 932481431 /nfs/dbraw/zinc/48/14/31/932481431.db2.gz PLVBFHMKDHZYGS-WCBMZHEXSA-N -1 1 253.298 3.422 20 5 CGBDMM O=C([N-]c1cc(F)ccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001522159760 938035806 /nfs/dbraw/zinc/03/58/06/938035806.db2.gz WZUOFXXEEODBFL-UHFFFAOYSA-N -1 1 296.204 3.264 20 5 CGBDMM CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000604033567 348107212 /nfs/dbraw/zinc/10/72/12/348107212.db2.gz APRCMEGKXQYKFI-UHFFFAOYSA-N -1 1 273.292 3.299 20 5 CGBDMM Cc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000336583463 213484452 /nfs/dbraw/zinc/48/44/52/213484452.db2.gz RNIJJHGXGCKRHP-UHFFFAOYSA-N -1 1 279.683 3.137 20 5 CGBDMM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342130781 216230123 /nfs/dbraw/zinc/23/01/23/216230123.db2.gz GTIMEXZEYHJBBN-UHFFFAOYSA-N -1 1 296.286 3.170 20 5 CGBDMM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000298915960 278541409 /nfs/dbraw/zinc/54/14/09/278541409.db2.gz AVYCRNBBPLPPNV-SNVBAGLBSA-N -1 1 285.303 3.077 20 5 CGBDMM O=C(O[C@H]1CCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784213916 628795279 /nfs/dbraw/zinc/79/52/79/628795279.db2.gz IDOMVSVBYNQQEU-HNNXBMFYSA-N -1 1 299.282 3.145 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001204470222 812650041 /nfs/dbraw/zinc/65/00/41/812650041.db2.gz ZVLZGUZYVFKMOR-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc(F)c(F)cc2[O-])ccc1F ZINC001211192179 814844598 /nfs/dbraw/zinc/84/45/98/814844598.db2.gz ILNOZMMEDGPKRG-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CC(C)(C)[C@H]1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228141354 817823140 /nfs/dbraw/zinc/82/31/40/817823140.db2.gz PSCSFVCMDGYDOV-AOOOYVTPSA-N -1 1 295.339 3.074 20 5 CGBDMM C[C@@H]1CCCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394731 932143658 /nfs/dbraw/zinc/14/36/58/932143658.db2.gz BNYCOSZJHFZUST-SKDRFNHKSA-N -1 1 251.282 3.258 20 5 CGBDMM COc1ccc([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229396737 932144568 /nfs/dbraw/zinc/14/45/68/932144568.db2.gz XXSBOTMSBWIGTC-JTQLQIEISA-N -1 1 289.287 3.449 20 5 CGBDMM C[C@@H](COc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395977 932144932 /nfs/dbraw/zinc/14/49/32/932144932.db2.gz OHTIPIWKOIQHOT-NSHDSACASA-N -1 1 289.287 3.147 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC001229749606 932478732 /nfs/dbraw/zinc/47/87/32/932478732.db2.gz FULTVSWBIYWUFT-JTQLQIEISA-N -1 1 253.298 3.422 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CCC(=O)CC2(C)C)cc1[N+](=O)[O-] ZINC001229749636 932478968 /nfs/dbraw/zinc/47/89/68/932478968.db2.gz GDEYBWFLVJKQTD-AWEZNQCLSA-N -1 1 293.319 3.135 20 5 CGBDMM C[C@H]1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000356183836 393371797 /nfs/dbraw/zinc/37/17/97/393371797.db2.gz BLYKXCKMJPJZLT-IUCAKERBSA-N -1 1 276.296 3.267 20 5 CGBDMM CCCC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCC1 ZINC000420513924 393494722 /nfs/dbraw/zinc/49/47/22/393494722.db2.gz ACDLEXMZSWEXBR-UHFFFAOYSA-N -1 1 276.296 3.195 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000129323592 287328612 /nfs/dbraw/zinc/32/86/12/287328612.db2.gz DCRHJZUBLPNVGU-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1cc(C)c2c(c1)N(C(=O)c1ccc([N+](=O)[O-])[n-]1)CCC2 ZINC000263883774 280405783 /nfs/dbraw/zinc/40/57/83/280405783.db2.gz RDRWSBQWKKERDE-UHFFFAOYSA-N -1 1 299.330 3.133 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001201222716 811799110 /nfs/dbraw/zinc/79/91/10/811799110.db2.gz PUXAYRLOUNUAQV-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM CC(=O)c1c(F)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224759 811800646 /nfs/dbraw/zinc/80/06/46/811800646.db2.gz UDVDCVMZWSHZJF-UHFFFAOYSA-N -1 1 290.250 3.386 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cccnc2Cl)ccc1[O-] ZINC001210393244 814440920 /nfs/dbraw/zinc/44/09/20/814440920.db2.gz WKQDRDAOOMTYHS-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM Cc1nc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)nc1C ZINC001210394066 814442718 /nfs/dbraw/zinc/44/27/18/814442718.db2.gz MUNUJPUCYNDFMJ-UHFFFAOYSA-N -1 1 294.698 3.104 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnccc2OC(F)F)ccc1[O-] ZINC001210396755 814444754 /nfs/dbraw/zinc/44/47/54/814444754.db2.gz ZEBCQXBARDLQIW-UHFFFAOYSA-N -1 1 297.217 3.040 20 5 CGBDMM CC[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234876630 818942692 /nfs/dbraw/zinc/94/26/92/818942692.db2.gz IAPGDSVPSKKJMH-ZCFIWIBFSA-N -1 1 290.113 3.240 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2cccnc2F)cc1[N+](=O)[O-] ZINC001229752482 932479729 /nfs/dbraw/zinc/47/97/29/932479729.db2.gz BDEUQSXPPKJNBU-SECBINFHSA-N -1 1 292.266 3.283 20 5 CGBDMM Cc1ccc([C@@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cn1 ZINC001229750101 932480101 /nfs/dbraw/zinc/48/01/01/932480101.db2.gz JZSLRIQFXHTJMU-LLVKDONJSA-N -1 1 288.303 3.452 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC001229750469 932480246 /nfs/dbraw/zinc/48/02/46/932480246.db2.gz NPHZPKKDOOGVSN-SNVBAGLBSA-N -1 1 274.276 3.144 20 5 CGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccccc1[O-] ZINC000610664645 348394168 /nfs/dbraw/zinc/39/41/68/348394168.db2.gz CHYBZUAIPUCFLU-UHFFFAOYSA-N -1 1 286.287 3.170 20 5 CGBDMM CCc1ccc(CC)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000464993257 374924726 /nfs/dbraw/zinc/92/47/26/374924726.db2.gz PTCUGIVGEKJCBJ-UHFFFAOYSA-N -1 1 287.319 3.300 20 5 CGBDMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000340332354 377009218 /nfs/dbraw/zinc/00/92/18/377009218.db2.gz RBWPUCWQDVDQPK-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(C3CCCCC3)no2)[n-]1 ZINC000265070415 190155540 /nfs/dbraw/zinc/15/55/40/190155540.db2.gz XDBPFYMKWQAJBL-UHFFFAOYSA-N -1 1 262.269 3.021 20 5 CGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC2(CCC2)c2ccccc21 ZINC000336078105 284665917 /nfs/dbraw/zinc/66/59/17/284665917.db2.gz JAOPVWGXDBEPJE-UHFFFAOYSA-N -1 1 297.314 3.005 20 5 CGBDMM Cc1cc(F)ccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356685731 380823998 /nfs/dbraw/zinc/82/39/98/380823998.db2.gz LAIVDIIQBDCDME-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000335809561 280394354 /nfs/dbraw/zinc/39/43/54/280394354.db2.gz MWXPWKNQKFJSBQ-UHFFFAOYSA-N -1 1 273.292 3.100 20 5 CGBDMM Cc1cscc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350930207 335549977 /nfs/dbraw/zinc/54/99/77/335549977.db2.gz KGGCMOHCXNTQCJ-UHFFFAOYSA-N -1 1 276.277 3.010 20 5 CGBDMM CCOc1ccc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC001251044941 805836545 /nfs/dbraw/zinc/83/65/45/805836545.db2.gz CDEBBAYMCNRBBE-UHFFFAOYSA-N -1 1 299.286 3.242 20 5 CGBDMM CC(=O)c1sccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395724 814442637 /nfs/dbraw/zinc/44/26/37/814442637.db2.gz DHVCWXJJGSMBJN-UHFFFAOYSA-N -1 1 278.289 3.308 20 5 CGBDMM CC(C)Oc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210396708 814443459 /nfs/dbraw/zinc/44/34/59/814443459.db2.gz XCWDZYYGNWIKFY-UHFFFAOYSA-N -1 1 289.291 3.226 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnc(C3CC3)s2)ccc1[O-] ZINC001210396418 814444058 /nfs/dbraw/zinc/44/40/58/814444058.db2.gz RBKQGPZAISHZKS-UHFFFAOYSA-N -1 1 277.305 3.378 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncc(Cl)cc2[O-])ccc1F ZINC001211190629 814843746 /nfs/dbraw/zinc/84/37/46/814843746.db2.gz WULGNYLTOQOOJL-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1Nc1ncc(Cl)cc1[O-] ZINC001211286676 814870198 /nfs/dbraw/zinc/87/01/98/814870198.db2.gz XSLMNFSTQKNNCE-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM CC(C)C1CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225666536 817133168 /nfs/dbraw/zinc/13/31/68/817133168.db2.gz KDUUKBDCMZXDAN-UHFFFAOYSA-N -1 1 280.324 3.289 20 5 CGBDMM CCCCC[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667621 817134784 /nfs/dbraw/zinc/13/47/84/817134784.db2.gz UJXSJBSUNGDACP-JTQLQIEISA-N -1 1 268.313 3.433 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CC(F)(F)C2(F)F)cc1[N+](=O)[O-] ZINC001229752599 928039204 /nfs/dbraw/zinc/03/92/04/928039204.db2.gz CFBABDHGFYCLQV-VIFPVBQESA-N -1 1 295.188 3.031 20 5 CGBDMM O=C(Nc1ccc2c(c1)CCCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC001452802071 937398587 /nfs/dbraw/zinc/39/85/87/937398587.db2.gz IUBJGPNXRIYCPJ-UHFFFAOYSA-N -1 1 299.330 3.444 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC001229754811 932481337 /nfs/dbraw/zinc/48/13/37/932481337.db2.gz RPUPCYNOFHUSJD-SKDRFNHKSA-N -1 1 269.272 3.268 20 5 CGBDMM CCn1nc(C)c([N-]c2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000611616841 348463371 /nfs/dbraw/zinc/46/33/71/348463371.db2.gz OYLKISOQBFXSPJ-UHFFFAOYSA-N -1 1 289.339 3.183 20 5 CGBDMM CC[C@H](C)CON=c1cc(C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000291975856 198123326 /nfs/dbraw/zinc/12/33/26/198123326.db2.gz WPSXHPQIXOZMFE-ZETCQYMHSA-N -1 1 293.245 3.398 20 5 CGBDMM CCCn1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000301979243 201284726 /nfs/dbraw/zinc/28/47/26/201284726.db2.gz AIDPBHPJIHEXDV-UHFFFAOYSA-N -1 1 252.299 3.006 20 5 CGBDMM O=[N+]([O-])c1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1[O-] ZINC000261367423 377809954 /nfs/dbraw/zinc/80/99/54/377809954.db2.gz RSAQADURZGKEDC-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM CSCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000354318039 380396538 /nfs/dbraw/zinc/39/65/38/380396538.db2.gz QCCCKIGWEJSBFX-UHFFFAOYSA-N -1 1 291.332 3.038 20 5 CGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc2[nH]ccc2c1 ZINC000350413389 219016624 /nfs/dbraw/zinc/01/66/24/219016624.db2.gz MMVXVZCIIDXHGS-UHFFFAOYSA-N -1 1 298.302 3.071 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(CC3CCCCC3)no2)[n-]1 ZINC000356503991 393464429 /nfs/dbraw/zinc/46/44/29/393464429.db2.gz ZUPYJEBDTODALF-UHFFFAOYSA-N -1 1 276.296 3.096 20 5 CGBDMM Cc1c(C(=O)Nc2cccc([O-])c2F)cccc1[N+](=O)[O-] ZINC000129636487 287336454 /nfs/dbraw/zinc/33/64/54/287336454.db2.gz ZPSBLDBMZXGXMY-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780076085 628454684 /nfs/dbraw/zinc/45/46/84/628454684.db2.gz RESXHFJVSFXIRI-SNVBAGLBSA-N -1 1 287.271 3.218 20 5 CGBDMM Cc1cc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c2cc1F ZINC001250854659 805788092 /nfs/dbraw/zinc/78/80/92/805788092.db2.gz WCGWZQYZNDLWEM-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC001248475045 804936995 /nfs/dbraw/zinc/93/69/95/804936995.db2.gz MGASXYDZGPYFHZ-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cnc([N-][C@@H](c2ccccc2)C(F)(F)F)nc1 ZINC001170882155 807924356 /nfs/dbraw/zinc/92/43/56/807924356.db2.gz DAWXCHFCOUCYDQ-JTQLQIEISA-N -1 1 298.224 3.100 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001175735336 809523001 /nfs/dbraw/zinc/52/30/01/809523001.db2.gz DLCCUSQBWQUMDS-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175736768 809525242 /nfs/dbraw/zinc/52/52/42/809525242.db2.gz ABNCKOMACGGNBC-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1[N+](=O)[O-] ZINC001176363958 809677973 /nfs/dbraw/zinc/67/79/73/809677973.db2.gz XEZUNQBKJNYKAD-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)c([O-])c(F)c2)c1F ZINC001210384364 814435739 /nfs/dbraw/zinc/43/57/39/814435739.db2.gz KSCJPYIOFNQLGP-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cccnc2OC(F)F)ccc1[O-] ZINC001210395872 814441629 /nfs/dbraw/zinc/44/16/29/814441629.db2.gz GSIYNNMIBBSPAW-UHFFFAOYSA-N -1 1 297.217 3.040 20 5 CGBDMM Cc1ccc(C)c(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210393685 814442239 /nfs/dbraw/zinc/44/22/39/814442239.db2.gz HALIWWOEPAIEJW-UHFFFAOYSA-N -1 1 259.265 3.056 20 5 CGBDMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])cc([N+](=O)[O-])c1 ZINC001454756097 937412149 /nfs/dbraw/zinc/41/21/49/937412149.db2.gz KKHVZQQLTUHGDK-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1cc([O-])c(OC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001229749446 932479055 /nfs/dbraw/zinc/47/90/55/932479055.db2.gz ARGWTFCMLJOHTE-UHFFFAOYSA-N -1 1 285.299 3.155 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC001229752534 932479839 /nfs/dbraw/zinc/47/98/39/932479839.db2.gz BMZCTHQCGVKABY-JTQLQIEISA-N -1 1 277.276 3.212 20 5 CGBDMM CC[C@@H](C)[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754429 932480872 /nfs/dbraw/zinc/48/08/72/932480872.db2.gz PLVBFHMKDHZYGS-PSASIEDQSA-N -1 1 253.298 3.422 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3C[C@@H]3c3ccccc3)no2)[n-]1 ZINC000338070854 214387129 /nfs/dbraw/zinc/38/71/29/214387129.db2.gz WJOHNFMMBBQAGE-MNOVXSKESA-N -1 1 296.286 3.244 20 5 CGBDMM C[C@@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000601715528 347909302 /nfs/dbraw/zinc/90/93/02/347909302.db2.gz VIPWSOZSCWOXGA-NSHDSACASA-N -1 1 299.330 3.368 20 5 CGBDMM COc1cc(-c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000041006155 369167498 /nfs/dbraw/zinc/16/74/98/369167498.db2.gz GTQUFIQBZXPLFF-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1[O-] ZINC000536156938 376080611 /nfs/dbraw/zinc/08/06/11/376080611.db2.gz DQEZMPYADNCCCD-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340694853 377222958 /nfs/dbraw/zinc/22/29/58/377222958.db2.gz FLIINKPUIXWUCT-UHFFFAOYSA-N -1 1 273.292 3.128 20 5 CGBDMM Cc1ccc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c2c1 ZINC001250854042 805788668 /nfs/dbraw/zinc/78/86/68/805788668.db2.gz MJSXOPWZXQWJGM-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1ccc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc2c1 ZINC001251386215 805890218 /nfs/dbraw/zinc/89/02/18/805890218.db2.gz WFJQYKIKKLRXBI-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1ccc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2c1 ZINC001251386215 805890238 /nfs/dbraw/zinc/89/02/38/805890238.db2.gz WFJQYKIKKLRXBI-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM CC(=O)c1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224125 811801889 /nfs/dbraw/zinc/80/18/89/811801889.db2.gz IPVRYQUYTUORKY-UHFFFAOYSA-N -1 1 290.250 3.386 20 5 CGBDMM O=[N+]([O-])c1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001206150544 813213893 /nfs/dbraw/zinc/21/38/93/813213893.db2.gz ZKTAIKLVZWROIA-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM COc1cc(Cl)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393546 814440812 /nfs/dbraw/zinc/44/08/12/814440812.db2.gz FNXSULNWLPPFRU-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM Cc1cnn(C2CCC2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395882 814441995 /nfs/dbraw/zinc/44/19/95/814441995.db2.gz HEVVZPMWOFEUSF-UHFFFAOYSA-N -1 1 288.307 3.274 20 5 CGBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(Cl)n1 ZINC001210393836 814442625 /nfs/dbraw/zinc/44/26/25/814442625.db2.gz IZAUNAZJOJQPAS-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM CCCCC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665399 817132441 /nfs/dbraw/zinc/13/24/41/817132441.db2.gz YUQRCPYUZQEMBS-VIFPVBQESA-N -1 1 254.286 3.043 20 5 CGBDMM CCCCC[C@@H](CCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141719 817822591 /nfs/dbraw/zinc/82/25/91/817822591.db2.gz TVUUXBZJZPPYRQ-SNVBAGLBSA-N -1 1 283.328 3.218 20 5 CGBDMM C[C@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229395794 927343385 /nfs/dbraw/zinc/34/33/85/927343385.db2.gz MFQCRGDHFFMQFG-JGZJWPJOSA-N -1 1 251.282 3.258 20 5 CGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc(C)c1C ZINC000352203651 219359569 /nfs/dbraw/zinc/35/95/69/219359569.db2.gz UJPVZJASWALVBO-UHFFFAOYSA-N -1 1 287.319 3.206 20 5 CGBDMM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340427434 377052404 /nfs/dbraw/zinc/05/24/04/377052404.db2.gz AJJPHWSAJAUSMB-UHFFFAOYSA-N -1 1 299.208 3.194 20 5 CGBDMM CC(C)c1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000268701878 378092909 /nfs/dbraw/zinc/09/29/09/378092909.db2.gz HCKMGIZSYNVGPU-UHFFFAOYSA-N -1 1 287.319 3.323 20 5 CGBDMM CC(C)c1scnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000288843579 276080730 /nfs/dbraw/zinc/08/07/30/276080730.db2.gz LVVIPVDZWAHZHN-UHFFFAOYSA-N -1 1 281.293 3.020 20 5 CGBDMM O=C(Nc1ccc2sccc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001136088293 803630327 /nfs/dbraw/zinc/63/03/27/803630327.db2.gz QDESJRYNRFDMPK-UHFFFAOYSA-N -1 1 287.300 3.390 20 5 CGBDMM Cc1ccc([N-]c2nccnc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001214169636 815376164 /nfs/dbraw/zinc/37/61/64/815376164.db2.gz WUHPDYHEUDZKME-UHFFFAOYSA-N -1 1 298.224 3.456 20 5 CGBDMM Nc1ccc(Nc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001209936556 814204616 /nfs/dbraw/zinc/20/46/16/814204616.db2.gz SLMXMXQMGVLYSC-UHFFFAOYSA-N -1 1 279.683 3.280 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1cc(F)c(F)cc1[O-] ZINC001210446701 814459629 /nfs/dbraw/zinc/45/96/29/814459629.db2.gz ZFWOBAGUJVSTAO-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM Cc1ccc2c(c1)CC[C@H]2Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225661603 817131579 /nfs/dbraw/zinc/13/15/79/817131579.db2.gz MWJPHFJNCQJKSP-CYBMUJFWSA-N -1 1 286.287 3.070 20 5 CGBDMM CCC[C@H](C)[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664997 817132301 /nfs/dbraw/zinc/13/23/01/817132301.db2.gz WMLVOWBZSQVWCI-GXSJLCMTSA-N -1 1 268.313 3.289 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCc3ccccc32)n1 ZINC001231259113 818064932 /nfs/dbraw/zinc/06/49/32/818064932.db2.gz GEYCNMRIYQTYIP-CYBMUJFWSA-N -1 1 286.287 3.070 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCCc3cccnc32)c1 ZINC001229397495 932145253 /nfs/dbraw/zinc/14/52/53/932145253.db2.gz JEQUFFRTPCLOIF-ZDUSSCGKSA-N -1 1 286.287 3.152 20 5 CGBDMM O=c1oc2cc([O-])ccc2c2cc(OC3CCC3)c(O)cc12 ZINC001229803692 932485711 /nfs/dbraw/zinc/48/57/11/932485711.db2.gz QUPPFMQCAXBAKK-UHFFFAOYSA-N -1 1 298.294 3.289 20 5 CGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1sccc1F ZINC001524172295 938042985 /nfs/dbraw/zinc/04/29/85/938042985.db2.gz MBGGKFNAKILKOU-UHFFFAOYSA-N -1 1 284.243 3.187 20 5 CGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1sccc1F ZINC001538140027 938115608 /nfs/dbraw/zinc/11/56/08/938115608.db2.gz WJJYXZDTKYZNNL-UHFFFAOYSA-N -1 1 298.270 3.495 20 5 CGBDMM Cc1ccc2ccnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2c1 ZINC001583069571 962768321 /nfs/dbraw/zinc/76/83/21/962768321.db2.gz HATVFMDXMVMWGP-UHFFFAOYSA-N -1 1 296.286 3.032 20 5 CGBDMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1CC ZINC000601935239 347925826 /nfs/dbraw/zinc/92/58/26/347925826.db2.gz RIGFKDVRUNXBFS-GFCCVEGCSA-N -1 1 275.308 3.124 20 5 CGBDMM CCc1ccccc1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000618423207 349082587 /nfs/dbraw/zinc/08/25/87/349082587.db2.gz HYRKGJDXGSSTJW-UHFFFAOYSA-N -1 1 298.302 3.126 20 5 CGBDMM Cc1coc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc12 ZINC000359543222 233331804 /nfs/dbraw/zinc/33/18/04/233331804.db2.gz CPPXAXFYMJPSNV-UHFFFAOYSA-N -1 1 285.259 3.230 20 5 CGBDMM CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000360026113 381416015 /nfs/dbraw/zinc/41/60/15/381416015.db2.gz XGEAGDIRJUDXGM-UHFFFAOYSA-N -1 1 273.292 3.046 20 5 CGBDMM Cc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1[N+](=O)[O-] ZINC000174886275 335168762 /nfs/dbraw/zinc/16/87/62/335168762.db2.gz YGDLQBLMNAMPGC-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC001251271337 805875052 /nfs/dbraw/zinc/87/50/52/805875052.db2.gz AYZIWCLMVKJKCJ-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c([N-]c2ncc(F)s2)c1F ZINC001215285298 815502418 /nfs/dbraw/zinc/50/24/18/815502418.db2.gz ILTHCPGLNIZCEE-UHFFFAOYSA-N -1 1 275.211 3.212 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(C(F)F)nc2)ccc1[O-] ZINC001210393642 814442225 /nfs/dbraw/zinc/44/22/25/814442225.db2.gz FZMCUTJNCPYSIT-UHFFFAOYSA-N -1 1 281.218 3.377 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1Nc1cc([O-])c(F)cc1F ZINC001210952963 814689873 /nfs/dbraw/zinc/68/98/73/814689873.db2.gz ATBLFAPVFJDWKR-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CCCC[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665463 817132580 /nfs/dbraw/zinc/13/25/80/817132580.db2.gz AGVKPPICOTXIMC-SECBINFHSA-N -1 1 254.286 3.043 20 5 CGBDMM CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001225664500 817132845 /nfs/dbraw/zinc/13/28/45/817132845.db2.gz PJNNRVXZKBBRIR-LBPRGKRZSA-N -1 1 280.324 3.433 20 5 CGBDMM CC(C)CCC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666779 817132986 /nfs/dbraw/zinc/13/29/86/817132986.db2.gz MFLCDIWRFZVCKK-JTQLQIEISA-N -1 1 268.313 3.289 20 5 CGBDMM O=c1cc[n-]c(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001225668139 817134621 /nfs/dbraw/zinc/13/46/21/817134621.db2.gz YXRWVNFUKXEPGP-IJLUTSLNSA-N -1 1 292.335 3.433 20 5 CGBDMM CCCCCC[C@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141748 817822750 /nfs/dbraw/zinc/82/27/50/817822750.db2.gz ULKVTKWBCUHYRP-JTQLQIEISA-N -1 1 283.328 3.218 20 5 CGBDMM C[C@H](Cc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395986 932144858 /nfs/dbraw/zinc/14/48/58/932144858.db2.gz OMZXEZNJFSQHRE-LLVKDONJSA-N -1 1 273.288 3.310 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC001229749437 932479232 /nfs/dbraw/zinc/47/92/32/932479232.db2.gz ANBVEMDESVVBRQ-SNVBAGLBSA-N -1 1 274.276 3.144 20 5 CGBDMM CCSCC[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093870840 345892307 /nfs/dbraw/zinc/89/23/07/345892307.db2.gz DZONSAGRGSXMRM-LLVKDONJSA-N -1 1 298.408 3.264 20 5 CGBDMM CCc1c(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]c1C(C)C ZINC000601940156 347927226 /nfs/dbraw/zinc/92/72/26/347927226.db2.gz PEBMNXXSDHQIQP-NSHDSACASA-N -1 1 289.335 3.288 20 5 CGBDMM CC(C)n1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000301938886 201270375 /nfs/dbraw/zinc/27/03/75/201270375.db2.gz SIVGZQKKMNPLTM-UHFFFAOYSA-N -1 1 252.299 3.177 20 5 CGBDMM Cc1noc(C)c1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000340263382 376971989 /nfs/dbraw/zinc/97/19/89/376971989.db2.gz ZEJPYNAJBKTTCZ-UHFFFAOYSA-N -1 1 295.682 3.105 20 5 CGBDMM Cc1cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)no1 ZINC000358851314 393528137 /nfs/dbraw/zinc/52/81/37/393528137.db2.gz TXIQTFAYCXSVQO-UHFFFAOYSA-N -1 1 277.283 3.452 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(CCCc3ccccc3)no2)[n-]1 ZINC000356032949 228094279 /nfs/dbraw/zinc/09/42/79/228094279.db2.gz HKTHOFQSXGZYCV-UHFFFAOYSA-N -1 1 298.302 3.148 20 5 CGBDMM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000089394612 523059367 /nfs/dbraw/zinc/05/93/67/523059367.db2.gz CATPPDNIIYROQJ-UHFFFAOYSA-N -1 1 295.320 3.076 20 5 CGBDMM COc1cc([N+](=O)[O-])cc(-c2nc3ccc(C)cc3[nH]2)c1[O-] ZINC001250820855 805781834 /nfs/dbraw/zinc/78/18/34/805781834.db2.gz SBKBEECXRRHGJN-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c([N+](=O)[O-])c1 ZINC001248483081 804937095 /nfs/dbraw/zinc/93/70/95/804937095.db2.gz CSKUYRKPGRXPJO-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM Cc1c(C(=O)Nc2cccc(F)c2[O-])cccc1[N+](=O)[O-] ZINC001151772409 805312652 /nfs/dbraw/zinc/31/26/52/805312652.db2.gz PUQQUQSPIBAVEB-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM O=[N+]([O-])c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174479313 809034235 /nfs/dbraw/zinc/03/42/35/809034235.db2.gz HNWQQWWUMIISKN-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(Cl)ncc2[O-])c1 ZINC001204439263 812638986 /nfs/dbraw/zinc/63/89/86/812638986.db2.gz AROLXCJROLFEHG-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM Cc1ncc(Cl)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393860 814442699 /nfs/dbraw/zinc/44/26/99/814442699.db2.gz JIDCSFRQZIQDRN-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=c1cc[n-]c(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001225668144 817134676 /nfs/dbraw/zinc/13/46/76/817134676.db2.gz YXRWVNFUKXEPGP-SDDRHHMPSA-N -1 1 292.335 3.433 20 5 CGBDMM CCCCCC[C@@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141749 817822716 /nfs/dbraw/zinc/82/27/16/817822716.db2.gz ULKVTKWBCUHYRP-SNVBAGLBSA-N -1 1 283.328 3.218 20 5 CGBDMM O=[N+]([O-])c1cc2nc(OC3CC=CC3)[n-]c2cc1Cl ZINC001233498584 818627315 /nfs/dbraw/zinc/62/73/15/818627315.db2.gz MFAYEAAGNGIBBV-UHFFFAOYSA-N -1 1 279.683 3.222 20 5 CGBDMM Cc1ccc([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001229396358 932144529 /nfs/dbraw/zinc/14/45/29/932144529.db2.gz SJESDMGNIRAAOF-SNVBAGLBSA-N -1 1 274.276 3.144 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CCCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001229754810 932480716 /nfs/dbraw/zinc/48/07/16/932480716.db2.gz RPUPCYNOFHUSJD-JOYOIKCWSA-N -1 1 269.272 3.268 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC001229754149 932481193 /nfs/dbraw/zinc/48/11/93/932481193.db2.gz NNTDDUKBEGTELT-GBIKHYSHSA-N -1 1 263.293 3.176 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCCc2ccccc2C1 ZINC000338982309 376612010 /nfs/dbraw/zinc/61/20/10/376612010.db2.gz VVOKENLSHCJNOU-UHFFFAOYSA-N -1 1 298.342 3.249 20 5 CGBDMM Cc1cc(C)cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356558171 380803124 /nfs/dbraw/zinc/80/31/24/380803124.db2.gz BNBNKDASERKDCL-UHFFFAOYSA-N -1 1 284.275 3.257 20 5 CGBDMM C[C@H]1CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000356183835 393372487 /nfs/dbraw/zinc/37/24/87/393372487.db2.gz BLYKXCKMJPJZLT-DTWKUNHWSA-N -1 1 276.296 3.267 20 5 CGBDMM CC(C)n1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000061683687 519966714 /nfs/dbraw/zinc/96/67/14/519966714.db2.gz SZYDDBKLJIVTNJ-UHFFFAOYSA-N -1 1 291.267 3.024 20 5 CGBDMM Cc1cccc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc21 ZINC001251386219 805889731 /nfs/dbraw/zinc/88/97/31/805889731.db2.gz WKMJPBLICJLGAU-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1cccc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c21 ZINC001251386219 805889750 /nfs/dbraw/zinc/88/97/50/805889750.db2.gz WKMJPBLICJLGAU-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001201222033 811799269 /nfs/dbraw/zinc/79/92/69/811799269.db2.gz IPFDPFCGMQRIHG-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2ccc([O-])c(F)c2F)c1F ZINC001210379605 814433762 /nfs/dbraw/zinc/43/37/62/814433762.db2.gz DYOYUXKVGGCZPN-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM C[C@H]1CCc2cc(N)ccc2N1c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394990 814442691 /nfs/dbraw/zinc/44/26/91/814442691.db2.gz LRCTVJYHCXIJOJ-JTQLQIEISA-N -1 1 299.330 3.355 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cncc(OC(F)F)c2)ccc1[O-] ZINC001210396201 814444354 /nfs/dbraw/zinc/44/43/54/814444354.db2.gz MZIQMQDLWDGRSN-UHFFFAOYSA-N -1 1 297.217 3.040 20 5 CGBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC001225660816 817131398 /nfs/dbraw/zinc/13/13/98/817131398.db2.gz HDOPSLULDBAUSJ-MRVPVSSYSA-N -1 1 294.694 3.489 20 5 CGBDMM CCC[C@@H](C)[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664998 817132421 /nfs/dbraw/zinc/13/24/21/817132421.db2.gz WMLVOWBZSQVWCI-KOLCDFICSA-N -1 1 268.313 3.289 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)CCC(C)C)n1 ZINC001231259795 818065578 /nfs/dbraw/zinc/06/55/78/818065578.db2.gz PQPRMIWCQWQEIZ-JTQLQIEISA-N -1 1 268.313 3.207 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccc(F)cc2)n1 ZINC001231258611 818065725 /nfs/dbraw/zinc/06/57/25/818065725.db2.gz AWTYCHOHAHCRTC-VIFPVBQESA-N -1 1 292.266 3.283 20 5 CGBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cnc2ccccn21 ZINC001229398516 932144521 /nfs/dbraw/zinc/14/45/21/932144521.db2.gz UUOZQPZASPSKPU-SNVBAGLBSA-N -1 1 299.286 3.088 20 5 CGBDMM Cc1cnc(F)c([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229400385 932144885 /nfs/dbraw/zinc/14/48/85/932144885.db2.gz UYXIHYZVWDPSKY-VIFPVBQESA-N -1 1 292.266 3.283 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC001229750118 932480079 /nfs/dbraw/zinc/48/00/79/932480079.db2.gz KCLHRFDWLAZCEG-SECBINFHSA-N -1 1 251.282 3.176 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC001229753421 932480636 /nfs/dbraw/zinc/48/06/36/932480636.db2.gz JDLSNMKMLFHJKT-MRVPVSSYSA-N -1 1 280.305 3.205 20 5 CGBDMM CCc1ccc(Oc2cc(Cl)nc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC001306964409 932765021 /nfs/dbraw/zinc/76/50/21/932765021.db2.gz PNRCJQNARCZXGV-UHFFFAOYSA-N -1 1 295.682 3.099 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)[n-]1 ZINC000338070860 214388210 /nfs/dbraw/zinc/38/82/10/214388210.db2.gz WJOHNFMMBBQAGE-WDEREUQCSA-N -1 1 296.286 3.244 20 5 CGBDMM Cc1sc(C(=O)Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000610339800 348375495 /nfs/dbraw/zinc/37/54/95/348375495.db2.gz QPFCQNWMOADUHY-UHFFFAOYSA-N -1 1 296.279 3.062 20 5 CGBDMM CCc1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1 ZINC000535358817 376034180 /nfs/dbraw/zinc/03/41/80/376034180.db2.gz PYISFKUUTKMYJM-UHFFFAOYSA-N -1 1 283.287 3.406 20 5 CGBDMM Cc1ccccc1[C@H](C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357718040 381265847 /nfs/dbraw/zinc/26/58/47/381265847.db2.gz TYZJNXPZIISRRM-JTQLQIEISA-N -1 1 298.302 3.433 20 5 CGBDMM Cc1sc(C)c2c1[n-]c(CCC(C)(C)[N+](=O)[O-])nc2=O ZINC000864354221 629817816 /nfs/dbraw/zinc/81/78/16/629817816.db2.gz AOQPJRBIOCCWER-UHFFFAOYSA-N -1 1 295.364 3.002 20 5 CGBDMM Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1C ZINC001251045613 805836594 /nfs/dbraw/zinc/83/65/94/805836594.db2.gz MWMVUHNPBSCATF-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM CCC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001225666796 817132753 /nfs/dbraw/zinc/13/27/53/817132753.db2.gz MMSFOWPQVNYIGW-SNVBAGLBSA-N -1 1 268.313 3.289 20 5 CGBDMM CCCCC1CCC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228141848 817822577 /nfs/dbraw/zinc/82/25/77/817822577.db2.gz VTOZQYNQCFILFR-UHFFFAOYSA-N -1 1 295.339 3.218 20 5 CGBDMM CCCCC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228141352 817822922 /nfs/dbraw/zinc/82/29/22/817822922.db2.gz PQBDQGXLACEUPO-SNVBAGLBSA-N -1 1 283.328 3.074 20 5 CGBDMM CCCC[C@@H](CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259404 818066149 /nfs/dbraw/zinc/06/61/49/818066149.db2.gz KPYIJBYRMAVTTE-SNVBAGLBSA-N -1 1 268.313 3.351 20 5 CGBDMM CC(C)C(Oc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC001229395274 927342901 /nfs/dbraw/zinc/34/29/01/927342901.db2.gz GIYBTSHHJHIAHR-UHFFFAOYSA-N -1 1 253.298 3.360 20 5 CGBDMM O=C1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC001229396844 932145223 /nfs/dbraw/zinc/14/52/23/932145223.db2.gz ZQEHWKXAAKMYNV-OAHLLOKOSA-N -1 1 299.282 3.397 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CCCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001229754809 932481441 /nfs/dbraw/zinc/48/14/41/932481441.db2.gz RPUPCYNOFHUSJD-CABZTGNLSA-N -1 1 269.272 3.268 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c([O-])cccc1F ZINC000089541513 345770716 /nfs/dbraw/zinc/77/07/16/345770716.db2.gz ZIBMXIXMXBOFMQ-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613440873 348604095 /nfs/dbraw/zinc/60/40/95/348604095.db2.gz VTSVAWLSPXLFMM-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cccc1[N+](=O)[O-] ZINC000180306283 373988318 /nfs/dbraw/zinc/98/83/18/373988318.db2.gz KRSLOPZJZAEGOW-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000362826205 392422041 /nfs/dbraw/zinc/42/20/41/392422041.db2.gz LHXUBZQHNJMBLM-UHFFFAOYSA-N -1 1 281.271 3.219 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc4[nH]ccc43)no2)[n-]1 ZINC000355949220 228062890 /nfs/dbraw/zinc/06/28/90/228062890.db2.gz YJSYCIBSWNBVHB-UHFFFAOYSA-N -1 1 295.258 3.121 20 5 CGBDMM CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000561328440 289634415 /nfs/dbraw/zinc/63/44/15/289634415.db2.gz MNVOCJSKAJDBOU-UHFFFAOYSA-N -1 1 293.710 3.391 20 5 CGBDMM Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000733267627 572547673 /nfs/dbraw/zinc/54/76/73/572547673.db2.gz BNEPDFYQSHNCNC-UHFFFAOYSA-N -1 1 293.710 3.161 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC001251046477 805835356 /nfs/dbraw/zinc/83/53/56/805835356.db2.gz SQFUNFXIGWZXKP-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccnc(C(F)(F)F)c2)ccc1[O-] ZINC001210392639 814440710 /nfs/dbraw/zinc/44/07/10/814440710.db2.gz JOENUYFWZZBPEI-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001210952915 814689617 /nfs/dbraw/zinc/68/96/17/814689617.db2.gz AAYQWHOBSNBTEC-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cc(F)c([O-])cc2F)ccc1F ZINC001211192415 814844448 /nfs/dbraw/zinc/84/44/48/814844448.db2.gz VDENYGMMDJVHLS-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001225664499 817133226 /nfs/dbraw/zinc/13/32/26/817133226.db2.gz PJNNRVXZKBBRIR-GFCCVEGCSA-N -1 1 280.324 3.433 20 5 CGBDMM CCC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])[C@H](C)CC ZINC001225667067 817134155 /nfs/dbraw/zinc/13/41/55/817134155.db2.gz OUKKAPWFUCEZLR-MWLCHTKSSA-N -1 1 268.313 3.289 20 5 CGBDMM CCC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])[C@H](C)CC ZINC001225667064 817134399 /nfs/dbraw/zinc/13/43/99/817134399.db2.gz OUKKAPWFUCEZLR-KOLCDFICSA-N -1 1 268.313 3.289 20 5 CGBDMM CC[C@H]1CCCC[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667438 817134717 /nfs/dbraw/zinc/13/47/17/817134717.db2.gz STEZYGHUUIRUIG-GXSJLCMTSA-N -1 1 266.297 3.043 20 5 CGBDMM CCC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001228141852 817822610 /nfs/dbraw/zinc/82/26/10/817822610.db2.gz VXCKQYDTYTXZGL-NSHDSACASA-N -1 1 295.339 3.218 20 5 CGBDMM CCCCC(CCCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141652 817822997 /nfs/dbraw/zinc/82/29/97/817822997.db2.gz STBOOGROZHTAKB-UHFFFAOYSA-N -1 1 283.328 3.218 20 5 CGBDMM CCCCC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228141351 817823194 /nfs/dbraw/zinc/82/31/94/817823194.db2.gz PQBDQGXLACEUPO-JTQLQIEISA-N -1 1 283.328 3.074 20 5 CGBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C1CC1 ZINC001233496874 818628021 /nfs/dbraw/zinc/62/80/21/818628021.db2.gz CEKKICSUAGDKMV-LURJTMIESA-N -1 1 281.699 3.302 20 5 CGBDMM O=C(Nc1ccc(F)c(C(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001454964999 937413231 /nfs/dbraw/zinc/41/32/31/937413231.db2.gz MRROAAXCMLHIOP-UHFFFAOYSA-N -1 1 299.208 3.252 20 5 CGBDMM C[C@@H](COc1cc([N+](=O)[O-])ccc1[O-])Oc1ccccc1 ZINC001229396411 932144602 /nfs/dbraw/zinc/14/46/02/932144602.db2.gz SZQGOGBNUIAILU-NSHDSACASA-N -1 1 289.287 3.147 20 5 CGBDMM COC(C)(C)C[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229755571 932480863 /nfs/dbraw/zinc/48/08/63/932480863.db2.gz YYFIEZAZKZHDEB-JTQLQIEISA-N -1 1 283.324 3.191 20 5 CGBDMM CCc1c(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]c1C(C)C ZINC000601940155 347927312 /nfs/dbraw/zinc/92/73/12/347927312.db2.gz PEBMNXXSDHQIQP-LLVKDONJSA-N -1 1 289.335 3.288 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3[O-])n2)s1 ZINC000445484264 238710292 /nfs/dbraw/zinc/71/02/92/238710292.db2.gz WYSGVZYFYHYONA-UHFFFAOYSA-N -1 1 289.272 3.079 20 5 CGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000012021364 368602093 /nfs/dbraw/zinc/60/20/93/368602093.db2.gz NHIXKEFPQNCINR-UHFFFAOYSA-N -1 1 292.678 3.206 20 5 CGBDMM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000299349270 373513604 /nfs/dbraw/zinc/51/36/04/373513604.db2.gz GKXKUFOCMOOOKA-UHFFFAOYSA-N -1 1 287.319 3.226 20 5 CGBDMM Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1F ZINC000356083621 393354598 /nfs/dbraw/zinc/35/45/98/393354598.db2.gz FNMGWLPWWGIRLU-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3C)[n-]c(=O)c2c1 ZINC000119810013 287173902 /nfs/dbraw/zinc/17/39/02/287173902.db2.gz GBZPCNVCSRXLAR-UHFFFAOYSA-N -1 1 295.298 3.115 20 5 CGBDMM CC(=O)c1ccc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224366 811800878 /nfs/dbraw/zinc/80/08/78/811800878.db2.gz MLAZKYRDNUESGJ-UHFFFAOYSA-N -1 1 290.250 3.386 20 5 CGBDMM CCc1ncsc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394551 814441670 /nfs/dbraw/zinc/44/16/70/814441670.db2.gz BHIOHCDKPWQYJD-UHFFFAOYSA-N -1 1 265.294 3.063 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnccc2C(F)(F)F)ccc1[O-] ZINC001210393666 814442287 /nfs/dbraw/zinc/44/22/87/814442287.db2.gz XPYCZOOSPSZTEP-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM Cc1cn(-c2ccc([O-])c([N+](=O)[O-])c2)c2cccc(N)c12 ZINC001210399819 814446013 /nfs/dbraw/zinc/44/60/13/814446013.db2.gz WBTMCWFTGDQAIE-UHFFFAOYSA-N -1 1 283.287 3.135 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1cc([O-])c(F)c(F)c1 ZINC001210446516 814459906 /nfs/dbraw/zinc/45/99/06/814459906.db2.gz WRXRIQXOYDDUHB-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cc2nc(O[C@@H]3C=CCC3)[n-]c2cc1Cl ZINC001233505809 818628517 /nfs/dbraw/zinc/62/85/17/818628517.db2.gz HJZFBSZSDFDOMY-SSDOTTSWSA-N -1 1 279.683 3.222 20 5 CGBDMM C[C@@H]1CCCC[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394726 932143826 /nfs/dbraw/zinc/14/38/26/932143826.db2.gz BNYCOSZJHFZUST-BXKDBHETSA-N -1 1 251.282 3.258 20 5 CGBDMM CO[C@@H](COc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229398624 932144651 /nfs/dbraw/zinc/14/46/51/932144651.db2.gz WLWKLINOSSGESB-HNNXBMFYSA-N -1 1 289.287 3.067 20 5 CGBDMM CCCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000601937161 347926180 /nfs/dbraw/zinc/92/61/80/347926180.db2.gz CDRAVPOWHIGDLB-UHFFFAOYSA-N -1 1 275.308 3.186 20 5 CGBDMM CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000341629404 216042468 /nfs/dbraw/zinc/04/24/68/216042468.db2.gz OUXWSSLHVLKXDM-UHFFFAOYSA-N -1 1 291.332 3.206 20 5 CGBDMM Cc1nn(-c2ccccc2)cc1[N-]c1ncccc1[N+](=O)[O-] ZINC000182803397 374330015 /nfs/dbraw/zinc/33/00/15/374330015.db2.gz LDPAUSARYZFUHJ-UHFFFAOYSA-N -1 1 295.302 3.228 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(C3CCCCCC3)no2)[n-]1 ZINC000569722970 322255223 /nfs/dbraw/zinc/25/52/23/322255223.db2.gz GUOYFRYTSVNSPC-UHFFFAOYSA-N -1 1 276.296 3.411 20 5 CGBDMM COc1ccc(Nc2cc(F)c(F)cc2[O-])cc1[N+](=O)[O-] ZINC001176362333 809677367 /nfs/dbraw/zinc/67/73/67/809677367.db2.gz CYONPOAANJFNMX-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001176363642 809677940 /nfs/dbraw/zinc/67/79/40/809677940.db2.gz QFKOZBXJHLDHEU-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccnc(Cl)c2)ccc1[O-] ZINC001210393062 814440756 /nfs/dbraw/zinc/44/07/56/814440756.db2.gz MNPPYOFRVVFGBS-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM Cc1c(Cl)nccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394115 814442667 /nfs/dbraw/zinc/44/26/67/814442667.db2.gz OJOIHIQOOBFPKY-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM CCCC/C=C/[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666137 817133145 /nfs/dbraw/zinc/13/31/45/817133145.db2.gz GPSCOVMLXUUYCU-VQCYPWCPSA-N -1 1 266.297 3.209 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ccccc2F)n1 ZINC001231258795 818066072 /nfs/dbraw/zinc/06/60/72/818066072.db2.gz CPHFBNQTOUEPDA-SECBINFHSA-N -1 1 292.266 3.283 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC001229749608 932478922 /nfs/dbraw/zinc/47/89/22/932478922.db2.gz FULTVSWBIYWUFT-SNVBAGLBSA-N -1 1 253.298 3.422 20 5 CGBDMM CC(C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229800814 932485578 /nfs/dbraw/zinc/48/55/78/932485578.db2.gz AULPMCVHWMSAQP-UHFFFAOYSA-N -1 1 286.283 3.145 20 5 CGBDMM CC(C)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC001586722143 963134919 /nfs/dbraw/zinc/13/49/19/963134919.db2.gz FPLYTAGEVLLEEA-UHFFFAOYSA-N -1 1 281.293 3.020 20 5 CGBDMM Cc1ccc2nc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC000041006151 369167549 /nfs/dbraw/zinc/16/75/49/369167549.db2.gz BNWYPXMFQCNLOS-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(F)c1 ZINC000445386935 373311655 /nfs/dbraw/zinc/31/16/55/373311655.db2.gz UGFJASJCFJZACY-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM CC(C)c1ccoc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350498655 379550792 /nfs/dbraw/zinc/55/07/92/379550792.db2.gz FBGTUKQDOZHNSJ-UHFFFAOYSA-N -1 1 288.263 3.356 20 5 CGBDMM O=C(Nc1ccc(C2CCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000347710882 218330595 /nfs/dbraw/zinc/33/05/95/218330595.db2.gz SVBJLWUVIVQHPX-UHFFFAOYSA-N -1 1 285.303 3.443 20 5 CGBDMM CC(C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000445479570 393799266 /nfs/dbraw/zinc/79/92/66/393799266.db2.gz CHFAWRFMORYZOB-UHFFFAOYSA-N -1 1 298.302 3.299 20 5 CGBDMM Cc1cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)ccn1 ZINC000432508256 330600073 /nfs/dbraw/zinc/60/00/73/330600073.db2.gz ZJSFELJJMYEZDQ-UHFFFAOYSA-N -1 1 287.322 3.447 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc3ccc(Cl)cc3[nH]2)c([O-])c1 ZINC001251009129 805828092 /nfs/dbraw/zinc/82/80/92/805828092.db2.gz GHIHZZDJFZNYPJ-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM Cc1cc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c2c(C)c1 ZINC001251009917 805828313 /nfs/dbraw/zinc/82/83/13/805828313.db2.gz ZTDMBUVRPILAHH-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM CC(F)(F)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001298072091 809528566 /nfs/dbraw/zinc/52/85/66/809528566.db2.gz AVEYDZFLZQRINN-UHFFFAOYSA-N -1 1 295.245 3.287 20 5 CGBDMM COc1ccc(Nc2ccc([O-])c(F)c2F)cc1[N+](=O)[O-] ZINC001176363755 809677646 /nfs/dbraw/zinc/67/76/46/809677646.db2.gz QKBJNPFJJUGNOT-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001204455328 812643545 /nfs/dbraw/zinc/64/35/45/812643545.db2.gz ABNNRENYCZJUGG-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM COc1nc(Cl)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394053 814441986 /nfs/dbraw/zinc/44/19/86/814441986.db2.gz MNBSVSDDRRZSTD-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM COc1cc(Cl)ncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396741 814443584 /nfs/dbraw/zinc/44/35/84/814443584.db2.gz YJTDTAHMEZARBH-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001216482139 815837575 /nfs/dbraw/zinc/83/75/75/815837575.db2.gz XJUFVUQRVHWEOU-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CC1(C)CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667650 817134605 /nfs/dbraw/zinc/13/46/05/817134605.db2.gz VGGWQETYRSDLOC-UHFFFAOYSA-N -1 1 266.297 3.043 20 5 CGBDMM CCC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001228141851 817822773 /nfs/dbraw/zinc/82/27/73/817822773.db2.gz VXCKQYDTYTXZGL-LLVKDONJSA-N -1 1 295.339 3.218 20 5 CGBDMM CC(C)c1ocnc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000731903359 928070650 /nfs/dbraw/zinc/07/06/50/928070650.db2.gz ASMVDCVCQPSDCH-UHFFFAOYSA-N -1 1 293.254 3.098 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCC(F)(F)CC2)c1 ZINC001229398359 932145118 /nfs/dbraw/zinc/14/51/18/932145118.db2.gz SWYPANBRXVPVNE-UHFFFAOYSA-N -1 1 273.235 3.257 20 5 CGBDMM COc1ccccc1[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398193 932145240 /nfs/dbraw/zinc/14/52/40/932145240.db2.gz RFIQRKOAYNLLFS-JTQLQIEISA-N -1 1 289.287 3.449 20 5 CGBDMM CCCCOC[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751805 932480180 /nfs/dbraw/zinc/48/01/80/932480180.db2.gz YDLLRSMFVJPLEO-LLVKDONJSA-N -1 1 283.324 3.193 20 5 CGBDMM Cc1c(C(=O)Nc2c([O-])cccc2F)cccc1[N+](=O)[O-] ZINC000089541328 345770315 /nfs/dbraw/zinc/77/03/15/345770315.db2.gz WAEOOHAOXRBELD-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM CCSCC[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093870841 345892166 /nfs/dbraw/zinc/89/21/66/345892166.db2.gz DZONSAGRGSXMRM-NSHDSACASA-N -1 1 298.408 3.264 20 5 CGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000003075938 634746775 /nfs/dbraw/zinc/74/67/75/634746775.db2.gz FVKOUYJEAYDGQH-UHFFFAOYSA-N -1 1 292.678 3.206 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncccc2OC(F)F)ccc1[O-] ZINC001210396639 814444414 /nfs/dbraw/zinc/44/44/14/814444414.db2.gz VRTWRITXIPUSFS-UHFFFAOYSA-N -1 1 297.217 3.040 20 5 CGBDMM CC[C@H]1CC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225666497 817133102 /nfs/dbraw/zinc/13/31/02/817133102.db2.gz JRLJOLFMOJRODH-MGCOHNPYSA-N -1 1 266.297 3.043 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] ZINC001229750436 932480088 /nfs/dbraw/zinc/48/00/88/932480088.db2.gz NNTDDUKBEGTELT-OPQQBVKSSA-N -1 1 263.293 3.176 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC001229754808 932481575 /nfs/dbraw/zinc/48/15/75/932481575.db2.gz RPUPCYNOFHUSJD-BXKDBHETSA-N -1 1 269.272 3.268 20 5 CGBDMM Cc1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1C ZINC000534879583 376004028 /nfs/dbraw/zinc/00/40/28/376004028.db2.gz NEFOGJNVTSYVJG-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM Cc1nc(SCc2csc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000346713425 378683318 /nfs/dbraw/zinc/68/33/18/378683318.db2.gz FPCKCLFPEYKBLD-UHFFFAOYSA-N -1 1 297.361 3.061 20 5 CGBDMM Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3[O-])[nH]c2c1C ZINC001251272377 805874832 /nfs/dbraw/zinc/87/48/32/805874832.db2.gz WQCNUEBTCNWEJS-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(C(F)(F)F)cn2)ccc1[O-] ZINC001210393007 814441218 /nfs/dbraw/zinc/44/12/18/814441218.db2.gz STABORHTRDAEEL-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncc(F)cc2Cl)ccc1[O-] ZINC001210393565 814442345 /nfs/dbraw/zinc/44/23/45/814442345.db2.gz FUIWNJSGGPBNQR-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001216485302 815839445 /nfs/dbraw/zinc/83/94/45/815839445.db2.gz XZPHWAFZHPKBBT-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])C[C@H](Oc1cc(Cl)c([O-])cc1Cl)C1CC1 ZINC001227640492 817686497 /nfs/dbraw/zinc/68/64/97/817686497.db2.gz CKVHVMHXROSXLQ-NSHDSACASA-N -1 1 292.118 3.133 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC=CCCC2)n1 ZINC001231263338 818068297 /nfs/dbraw/zinc/06/82/97/818068297.db2.gz JETKRWIADIKGJN-LLVKDONJSA-N -1 1 278.308 3.272 20 5 CGBDMM Cc1ccc([C@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cn1 ZINC001229750105 932479472 /nfs/dbraw/zinc/47/94/72/932479472.db2.gz JZSLRIQFXHTJMU-NSHDSACASA-N -1 1 288.303 3.452 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001229751961 932480093 /nfs/dbraw/zinc/48/00/93/932480093.db2.gz ZJBHPJNVWGWWDU-PSASIEDQSA-N -1 1 251.282 3.176 20 5 CGBDMM CCCCOC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751806 957837087 /nfs/dbraw/zinc/83/70/87/957837087.db2.gz YDLLRSMFVJPLEO-NSHDSACASA-N -1 1 283.324 3.193 20 5 CGBDMM Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2n1 ZINC000340181785 376937501 /nfs/dbraw/zinc/93/75/01/376937501.db2.gz PSYQKZVOVVKMHB-UHFFFAOYSA-N -1 1 296.286 3.032 20 5 CGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000340427496 377051371 /nfs/dbraw/zinc/05/13/71/377051371.db2.gz BBNLZWVRVZCJNK-UHFFFAOYSA-N -1 1 279.683 3.137 20 5 CGBDMM Cc1ccc([C@@H](C)c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000356535040 393476103 /nfs/dbraw/zinc/47/61/03/393476103.db2.gz WXKIBHOPPYXZJQ-SNVBAGLBSA-N -1 1 298.302 3.433 20 5 CGBDMM Cc1cc2nc(-c3cc([N+](=O)[O-])c(O)cc3[O-])[nH]c2cc1C ZINC001251082330 805843864 /nfs/dbraw/zinc/84/38/64/805843864.db2.gz FWFNTUVQASUUGN-UHFFFAOYSA-N -1 1 299.286 3.166 20 5 CGBDMM Cc1ncc([N+](=O)[O-])cc1[N-]c1nnc(C(C)(C)C)s1 ZINC001248746681 804981235 /nfs/dbraw/zinc/98/12/35/804981235.db2.gz NLAMKGCQUCTPIJ-UHFFFAOYSA-N -1 1 293.352 3.191 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001201230062 811800269 /nfs/dbraw/zinc/80/02/69/811800269.db2.gz WJGIGTSMIWMEAV-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM CCc1cc([N-]c2c(F)ccc([N+](=O)[O-])c2F)on1 ZINC001215290177 815503474 /nfs/dbraw/zinc/50/34/74/815503474.db2.gz YXXXIOITDKVRRA-UHFFFAOYSA-N -1 1 269.207 3.167 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncccc2C(F)(F)F)ccc1[O-] ZINC001210393060 814441269 /nfs/dbraw/zinc/44/12/69/814441269.db2.gz MICOSAOAHHHHLR-UHFFFAOYSA-N -1 1 299.208 3.458 20 5 CGBDMM CN(c1ccc([O-])c([N+](=O)[O-])c1)c1cc(Cl)ccc1N ZINC001210399309 814445683 /nfs/dbraw/zinc/44/56/83/814445683.db2.gz VPNBGCOMALBEHD-UHFFFAOYSA-N -1 1 293.710 3.304 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1Nc1ccc(F)c([O-])c1 ZINC001210953460 814690075 /nfs/dbraw/zinc/69/00/75/814690075.db2.gz JQZLRPTYEXPDTA-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM CCCC[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665465 817132827 /nfs/dbraw/zinc/13/28/27/817132827.db2.gz AGVKPPICOTXIMC-VIFPVBQESA-N -1 1 254.286 3.043 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccccc2C)n1 ZINC001231258618 818065160 /nfs/dbraw/zinc/06/51/60/818065160.db2.gz BDMMFVNNPXDIGG-NSHDSACASA-N -1 1 288.303 3.452 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3ccccc3C2)c1 ZINC001229395714 932145280 /nfs/dbraw/zinc/14/52/80/932145280.db2.gz KBEWJMSSLWPSIO-AWEZNQCLSA-N -1 1 285.299 3.237 20 5 CGBDMM CC(=O)[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515735 932165113 /nfs/dbraw/zinc/16/51/13/932165113.db2.gz DZBHKLQNFBECPM-SNVBAGLBSA-N -1 1 298.294 3.008 20 5 CGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(Cl)c1C ZINC001557171404 938208263 /nfs/dbraw/zinc/20/82/63/938208263.db2.gz INOXMEMOTLZWCU-UHFFFAOYSA-N -1 1 293.710 3.445 20 5 CGBDMM O=C(Nc1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337645049 214194708 /nfs/dbraw/zinc/19/47/08/214194708.db2.gz XJFCZFDNIZHHBX-UHFFFAOYSA-N -1 1 281.218 3.113 20 5 CGBDMM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000601943466 347927828 /nfs/dbraw/zinc/92/78/28/347927828.db2.gz QIHUOIDZWNVRGO-GFCCVEGCSA-N -1 1 275.308 3.042 20 5 CGBDMM C[C@@H]1CCCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356577028 393489813 /nfs/dbraw/zinc/48/98/13/393489813.db2.gz KDOFMKVKGYZVGH-RKDXNWHRSA-N -1 1 276.296 3.267 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)[n-]1 ZINC000356133447 228134085 /nfs/dbraw/zinc/13/40/85/228134085.db2.gz XPMMQGVAAVCYTR-UHFFFAOYSA-N -1 1 295.258 3.121 20 5 CGBDMM O=C(Nc1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000552780073 289198405 /nfs/dbraw/zinc/19/84/05/289198405.db2.gz UXQRXFUFCBCXIQ-UHFFFAOYSA-N -1 1 292.678 3.206 20 5 CGBDMM COc1cc2[nH]c(-c3ccc([N+](=O)[O-])cc3[O-])nc2cc1C ZINC001251009068 805828018 /nfs/dbraw/zinc/82/80/18/805828018.db2.gz CGDIWLYFRSPJDY-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM O=[N+]([O-])c1ccccc1Nc1cc([O-])c(F)cc1F ZINC001206164346 813221423 /nfs/dbraw/zinc/22/14/23/813221423.db2.gz HOSWSJDASUZYDZ-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)n1 ZINC001210392585 814441085 /nfs/dbraw/zinc/44/10/85/814441085.db2.gz HFZZEIQPOMLLBQ-UHFFFAOYSA-N -1 1 259.265 3.056 20 5 CGBDMM CCc1nccc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395149 814442787 /nfs/dbraw/zinc/44/27/87/814442787.db2.gz PJFZKURZCAYUNT-UHFFFAOYSA-N -1 1 273.292 3.310 20 5 CGBDMM CC[C@H](C)C[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666085 817132350 /nfs/dbraw/zinc/13/23/50/817132350.db2.gz GDTLRDGFNCCOQF-UWVGGRQHSA-N -1 1 268.313 3.289 20 5 CGBDMM CCC[C@H](C)[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665000 817132533 /nfs/dbraw/zinc/13/25/33/817132533.db2.gz WMLVOWBZSQVWCI-ONGXEEELSA-N -1 1 268.313 3.289 20 5 CGBDMM CC(C)CCC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666781 817132930 /nfs/dbraw/zinc/13/29/30/817132930.db2.gz MFLCDIWRFZVCKK-SNVBAGLBSA-N -1 1 268.313 3.289 20 5 CGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cnc2ccccn21 ZINC001229398514 932144995 /nfs/dbraw/zinc/14/49/95/932144995.db2.gz UUOZQPZASPSKPU-JTQLQIEISA-N -1 1 299.286 3.088 20 5 CGBDMM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000339085813 376672870 /nfs/dbraw/zinc/67/28/70/376672870.db2.gz MFYRXQGQIPYKTK-UHFFFAOYSA-N -1 1 292.360 3.387 20 5 CGBDMM O=C(Nc1csc2ccccc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000352572613 379862777 /nfs/dbraw/zinc/86/27/77/379862777.db2.gz KDKRIFNDNFAQCJ-UHFFFAOYSA-N -1 1 287.300 3.390 20 5 CGBDMM C[C@@H]1CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000356183838 393372397 /nfs/dbraw/zinc/37/23/97/393372397.db2.gz BLYKXCKMJPJZLT-RKDXNWHRSA-N -1 1 276.296 3.267 20 5 CGBDMM O=C(Nc1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000452872798 394132038 /nfs/dbraw/zinc/13/20/38/394132038.db2.gz SWWHFEUAVVNNLU-UHFFFAOYSA-N -1 1 285.303 3.054 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)[n-]1 ZINC000355840134 228017291 /nfs/dbraw/zinc/01/72/91/228017291.db2.gz ICLOIGPVYUGJBF-UHFFFAOYSA-N -1 1 295.258 3.121 20 5 CGBDMM O=c1oc2cc([O-])ccc2cc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477817 809032857 /nfs/dbraw/zinc/03/28/57/809032857.db2.gz XGXUMAWASPJMBK-UHFFFAOYSA-N -1 1 298.254 3.150 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc(F)c([O-])cc2F)c1F ZINC001210385571 814435596 /nfs/dbraw/zinc/43/55/96/814435596.db2.gz IKUDNMQOPIFCGE-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1cn2c(cccc2Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210392704 814440864 /nfs/dbraw/zinc/44/08/64/814440864.db2.gz LIYSWQLVHWPBRU-UHFFFAOYSA-N -1 1 284.275 3.000 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cn(CC3CCC3)cn2)ccc1[O-] ZINC001210395672 814442031 /nfs/dbraw/zinc/44/20/31/814442031.db2.gz APYSMEFIABRTLF-UHFFFAOYSA-N -1 1 288.307 3.041 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1Nc1cc(F)c([O-])cc1F ZINC001210953052 814689786 /nfs/dbraw/zinc/68/97/86/814689786.db2.gz DSOKGVOJSFHFNH-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001225664348 817133131 /nfs/dbraw/zinc/13/31/31/817133131.db2.gz NKSQJLUWGAJFIS-GFCCVEGCSA-N -1 1 292.266 3.365 20 5 CGBDMM CCCC(CCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668121 817133951 /nfs/dbraw/zinc/13/39/51/817133951.db2.gz YWNIPQWGQSUGET-UHFFFAOYSA-N -1 1 254.286 3.043 20 5 CGBDMM CCC(CC)[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667247 817134733 /nfs/dbraw/zinc/13/47/33/817134733.db2.gz QGANYZCTIWIUMV-LLVKDONJSA-N -1 1 268.313 3.289 20 5 CGBDMM CCC(CC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861573 818026908 /nfs/dbraw/zinc/02/69/08/818026908.db2.gz FKCHMCDXSHLTHU-UHFFFAOYSA-N -1 1 294.229 3.282 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccs2)n1 ZINC001231259053 818065035 /nfs/dbraw/zinc/06/50/35/818065035.db2.gz DTUGKLRKXXBSLP-MRVPVSSYSA-N -1 1 280.305 3.205 20 5 CGBDMM O=C([N-]c1nsc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC001437245180 937292153 /nfs/dbraw/zinc/29/21/53/937292153.db2.gz QEQWTBQZMGJBPQ-UHFFFAOYSA-N -1 1 289.272 3.050 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)c2ncccc2F)cc1[N+](=O)[O-] ZINC001229753367 932480756 /nfs/dbraw/zinc/48/07/56/932480756.db2.gz HKZNRXMLTJEHOQ-VIFPVBQESA-N -1 1 292.266 3.283 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)[n-]1 ZINC000350821029 379589997 /nfs/dbraw/zinc/58/99/97/379589997.db2.gz YRSWHKLIFQIHPB-UHFFFAOYSA-N -1 1 295.258 3.121 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3C[C@H]3c3ccccc3)no2)[n-]1 ZINC000338070856 285104987 /nfs/dbraw/zinc/10/49/87/285104987.db2.gz WJOHNFMMBBQAGE-QWRGUYRKSA-N -1 1 296.286 3.244 20 5 CGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccccc1[O-] ZINC000192713369 301206750 /nfs/dbraw/zinc/20/67/50/301206750.db2.gz LIYTVBQUBPFLGI-UHFFFAOYSA-N -1 1 286.287 3.170 20 5 CGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1c(F)cccc1F ZINC000060516863 623047555 /nfs/dbraw/zinc/04/75/55/623047555.db2.gz SQKWPDKKWLXYKC-UHFFFAOYSA-N -1 1 296.204 3.264 20 5 CGBDMM CCc1cc(=O)[n-]c(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC000789967972 629176872 /nfs/dbraw/zinc/17/68/72/629176872.db2.gz MODCNGZEMKKPQZ-WAYWQWQTSA-N -1 1 293.304 3.009 20 5 CGBDMM Cc1cc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c(C)c1 ZINC001250880552 805792547 /nfs/dbraw/zinc/79/25/47/805792547.db2.gz MGZHELHYRXTWEH-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c(ccc(F)c3F)[nH]2)c1 ZINC001251386190 805890099 /nfs/dbraw/zinc/89/00/99/805890099.db2.gz UXRIYCLMJFHJBR-UHFFFAOYSA-N -1 1 291.213 3.122 20 5 CGBDMM CC(C)c1ccc(-c2nnc(-c3[n-]cnc3[N+](=O)[O-])o2)cc1 ZINC001254873232 806503513 /nfs/dbraw/zinc/50/35/13/806503513.db2.gz TWXARTHPJFQRHA-UHFFFAOYSA-N -1 1 299.290 3.158 20 5 CGBDMM O=[N+]([O-])c1ccccc1[N-]c1nc(Cl)cnc1Cl ZINC001206150353 813213847 /nfs/dbraw/zinc/21/38/47/813213847.db2.gz PEDRDZKGOWLJBU-UHFFFAOYSA-N -1 1 285.090 3.435 20 5 CGBDMM COc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)n1 ZINC001210393440 814441186 /nfs/dbraw/zinc/44/11/86/814441186.db2.gz UTSNIDGILZOANG-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2c(O)cc(F)cc2F)ccc1[O-] ZINC001210395191 814441895 /nfs/dbraw/zinc/44/18/95/814441895.db2.gz RGLQARSDUAUCGT-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1Nc1c([O-])cc(F)cc1F ZINC001210956351 814692053 /nfs/dbraw/zinc/69/20/53/814692053.db2.gz YCLVJNSJCNJWLW-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc([O-])c(F)c2F)ccc1F ZINC001211192565 814844657 /nfs/dbraw/zinc/84/46/57/814844657.db2.gz CGBHHMXLFGZWGC-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccccc2F)n1 ZINC001231258796 818065334 /nfs/dbraw/zinc/06/53/34/818065334.db2.gz CPHFBNQTOUEPDA-VIFPVBQESA-N -1 1 292.266 3.283 20 5 CGBDMM C[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C1CC1 ZINC001233496875 818627396 /nfs/dbraw/zinc/62/73/96/818627396.db2.gz CEKKICSUAGDKMV-ZCFIWIBFSA-N -1 1 281.699 3.302 20 5 CGBDMM CC(C)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229397978 932145043 /nfs/dbraw/zinc/14/50/43/932145043.db2.gz OZOYURWWDQJPQR-SNVBAGLBSA-N -1 1 279.214 3.266 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC001229755112 932481003 /nfs/dbraw/zinc/48/10/03/932481003.db2.gz VUKQXAHFJQLDEO-QMMMGPOBSA-N -1 1 273.235 3.175 20 5 CGBDMM CCc1ccc2nc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC000436737900 529731471 /nfs/dbraw/zinc/73/14/71/529731471.db2.gz KJRMGZHPTQNOSL-UHFFFAOYSA-N -1 1 283.287 3.406 20 5 CGBDMM C[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2C1(C)C ZINC000598275874 347639060 /nfs/dbraw/zinc/63/90/60/347639060.db2.gz QPNHUTWZNOGCMZ-JTQLQIEISA-N -1 1 299.330 3.249 20 5 CGBDMM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C(C)C ZINC000601937548 347926475 /nfs/dbraw/zinc/92/64/75/347926475.db2.gz CAHXBUXYUJGORH-CYBMUJFWSA-N -1 1 293.298 3.119 20 5 CGBDMM Cc1cccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c21 ZINC000154395904 371842507 /nfs/dbraw/zinc/84/25/07/371842507.db2.gz GTXNBBWDESFSHY-UHFFFAOYSA-N -1 1 269.260 3.152 20 5 CGBDMM CCc1ccc(N(CC)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298891569 373431332 /nfs/dbraw/zinc/43/13/32/373431332.db2.gz RJXGAHSFSHSPIK-UHFFFAOYSA-N -1 1 287.319 3.152 20 5 CGBDMM Cc1cc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c2c(C)c1 ZINC001250854750 805787692 /nfs/dbraw/zinc/78/76/92/805787692.db2.gz XXGZQPHJRMIBIT-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM Cc1cc2nc(-c3cccc([N+](=O)[O-])c3[O-])[nH]c2cc1F ZINC001251271631 805875832 /nfs/dbraw/zinc/87/58/32/805875832.db2.gz GNAMGVLIKJBFAB-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM Cc1ccc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc2c1F ZINC001251386436 805889383 /nfs/dbraw/zinc/88/93/83/805889383.db2.gz YEYLMZWBRJVNTH-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM CCOc1ccc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc2c1 ZINC001251386474 805889429 /nfs/dbraw/zinc/88/94/29/805889429.db2.gz ZJIRCCDUNPJQIR-UHFFFAOYSA-N -1 1 299.286 3.242 20 5 CGBDMM Cc1conc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248594910 804958573 /nfs/dbraw/zinc/95/85/73/804958573.db2.gz YVJBNVBJHUBPBM-UHFFFAOYSA-N -1 1 253.645 3.288 20 5 CGBDMM Cc1ccc([N-]c2nnc(C(C)(C)C)o2)cc1[N+](=O)[O-] ZINC001213659793 815318401 /nfs/dbraw/zinc/31/84/01/815318401.db2.gz ACQNJKOHOIPHSO-UHFFFAOYSA-N -1 1 276.296 3.327 20 5 CGBDMM O=C1CCc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c21 ZINC001201224901 811800360 /nfs/dbraw/zinc/80/03/60/811800360.db2.gz VVSHFLAIYWXAIK-UHFFFAOYSA-N -1 1 284.271 3.173 20 5 CGBDMM CCc1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210396758 814444693 /nfs/dbraw/zinc/44/46/93/814444693.db2.gz ZHWCLHNWWFDLFM-UHFFFAOYSA-N -1 1 259.265 3.001 20 5 CGBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1ncc2ccccc2n1 ZINC001210949314 814687543 /nfs/dbraw/zinc/68/75/43/814687543.db2.gz JHLOLZRFLBQXTB-UHFFFAOYSA-N -1 1 284.250 3.421 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001216484369 815839253 /nfs/dbraw/zinc/83/92/53/815839253.db2.gz MORRAGWUZQOPND-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1cccc2c1[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])CC2 ZINC001225661793 817131370 /nfs/dbraw/zinc/13/13/70/817131370.db2.gz PFCKPTRWIAKWDS-LBPRGKRZSA-N -1 1 286.287 3.070 20 5 CGBDMM CCCCCC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666730 817132957 /nfs/dbraw/zinc/13/29/57/817132957.db2.gz LOXOSMAEDNDJSZ-JTQLQIEISA-N -1 1 268.313 3.433 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC(C(C)C)C(C)C)n1 ZINC001231259496 818065838 /nfs/dbraw/zinc/06/58/38/818065838.db2.gz NCWHRVPSYKQZJT-UHFFFAOYSA-N -1 1 268.313 3.063 20 5 CGBDMM Cc1ccc([C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231265053 818066800 /nfs/dbraw/zinc/06/68/00/818066800.db2.gz WACLRVHVNCGTAY-LLVKDONJSA-N -1 1 288.303 3.452 20 5 CGBDMM CC[C@H](C)[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754432 932481514 /nfs/dbraw/zinc/48/15/14/932481514.db2.gz PLVBFHMKDHZYGS-WPRPVWTQSA-N -1 1 253.298 3.422 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CC(F)(F)C2(F)F)cc1[N+](=O)[O-] ZINC001229752595 957836633 /nfs/dbraw/zinc/83/66/33/957836633.db2.gz CFBABDHGFYCLQV-SECBINFHSA-N -1 1 295.188 3.031 20 5 CGBDMM CCc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C ZINC000351603607 219141823 /nfs/dbraw/zinc/14/18/23/219141823.db2.gz XJTJMFOAEFRBLB-UHFFFAOYSA-N -1 1 273.292 3.046 20 5 CGBDMM C[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1cccs1 ZINC000357016751 232881263 /nfs/dbraw/zinc/88/12/63/232881263.db2.gz NJOSZNHULHEIAC-ZETCQYMHSA-N -1 1 290.304 3.186 20 5 CGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780076084 628454956 /nfs/dbraw/zinc/45/49/56/628454956.db2.gz RESXHFJVSFXIRI-JTQLQIEISA-N -1 1 287.271 3.218 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(F)cc(F)c2[O-])c1 ZINC001175737360 809524321 /nfs/dbraw/zinc/52/43/21/809524321.db2.gz PESAIKBAGMVCOY-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001204415083 812632393 /nfs/dbraw/zinc/63/23/93/812632393.db2.gz FQRUUUTZPPAOBW-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM COC(=O)c1ccsc1[N-]c1ccccc1[N+](=O)[O-] ZINC001206140443 813210774 /nfs/dbraw/zinc/21/07/74/813210774.db2.gz UIPWSYLEBCDUGW-UHFFFAOYSA-N -1 1 278.289 3.187 20 5 CGBDMM CCc1cccnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393396 814441075 /nfs/dbraw/zinc/44/10/75/814441075.db2.gz SFTCVRGIQVEVPH-UHFFFAOYSA-N -1 1 259.265 3.001 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncccc2Cl)ccc1[O-] ZINC001210393870 814442220 /nfs/dbraw/zinc/44/22/20/814442220.db2.gz JMPSVNJUHVCXJS-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM COc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)ccc1[S-] ZINC001210397568 814443936 /nfs/dbraw/zinc/44/39/36/814443936.db2.gz BINGHGBCLRZBSY-UHFFFAOYSA-N -1 1 292.316 3.341 20 5 CGBDMM CC(C)(C)C1CCC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228143782 817823071 /nfs/dbraw/zinc/82/30/71/817823071.db2.gz PSCSFVCMDGYDOV-UHFFFAOYSA-N -1 1 295.339 3.074 20 5 CGBDMM CCC[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228863226 818025994 /nfs/dbraw/zinc/02/59/94/818025994.db2.gz VVGKSNGSWLWILA-ZCFIWIBFSA-N -1 1 294.229 3.282 20 5 CGBDMM CC(C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744452 818921331 /nfs/dbraw/zinc/92/13/31/818921331.db2.gz MLURNDGPFVGMLH-UHFFFAOYSA-N -1 1 286.283 3.145 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CC3CCC2CC3)c1 ZINC001229394771 932143559 /nfs/dbraw/zinc/14/35/59/932143559.db2.gz BTVHRXDFFSADMC-SRHKJQAYSA-N -1 1 263.293 3.258 20 5 CGBDMM CC1(C)Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000590429248 346845372 /nfs/dbraw/zinc/84/53/72/346845372.db2.gz QXAAFKGBTLMDSP-UHFFFAOYSA-N -1 1 299.330 3.152 20 5 CGBDMM C/C=C/c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000489960486 393623905 /nfs/dbraw/zinc/62/39/05/393623905.db2.gz GEROQDVPRNZYEF-NSCUHMNNSA-N -1 1 271.276 3.208 20 5 CGBDMM Cc1cccc2nc(-c3cccc([N+](=O)[O-])c3)[n-]c(=O)c12 ZINC000339572142 281316105 /nfs/dbraw/zinc/31/61/05/281316105.db2.gz UMUPMFRCMNKFGK-UHFFFAOYSA-N -1 1 281.271 3.219 20 5 CGBDMM Cc1cc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc2c(C)c1 ZINC001251386229 805890321 /nfs/dbraw/zinc/89/03/21/805890321.db2.gz XBTWEGSTVBXULS-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM Cc1cc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2c(C)c1 ZINC001251386229 805890337 /nfs/dbraw/zinc/89/03/37/805890337.db2.gz XBTWEGSTVBXULS-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM COc1cc([O-])c(-c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC001251776408 805931945 /nfs/dbraw/zinc/93/19/45/805931945.db2.gz VCHHAIJXCJBOSE-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM CC(=O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223454 811801603 /nfs/dbraw/zinc/80/16/03/811801603.db2.gz YYLOWIVXZAMAPJ-UHFFFAOYSA-N -1 1 272.260 3.247 20 5 CGBDMM O=[N+]([O-])c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001206164675 813220539 /nfs/dbraw/zinc/22/05/39/813220539.db2.gz NGXYVBYJTJYHEP-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cnc1Cl ZINC001210393374 814441041 /nfs/dbraw/zinc/44/10/41/814441041.db2.gz RIMQAYCYODYCDH-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1cc(F)c([O-])cc1F ZINC001210446296 814460189 /nfs/dbraw/zinc/46/01/89/814460189.db2.gz QYAGLUYFMGNZFW-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM CC1(C)CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666770 817133157 /nfs/dbraw/zinc/13/31/57/817133157.db2.gz MDLYPOCRHFQNPF-SECBINFHSA-N -1 1 266.297 3.043 20 5 CGBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001225667037 817134878 /nfs/dbraw/zinc/13/48/78/817134878.db2.gz OMXMGAPIUGGCLB-SSDOTTSWSA-N -1 1 296.229 3.114 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)Cc2ccccc2)n1 ZINC001231260623 818065633 /nfs/dbraw/zinc/06/56/33/818065633.db2.gz UNPMMLOWOONBHH-LLVKDONJSA-N -1 1 288.303 3.014 20 5 CGBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC3CCC3)c12 ZINC001234743409 818921496 /nfs/dbraw/zinc/92/14/96/818921496.db2.gz CPWDQZKKLHRTLG-UHFFFAOYSA-N -1 1 298.294 3.289 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC001229750468 932479714 /nfs/dbraw/zinc/47/97/14/932479714.db2.gz NPHZPKKDOOGVSN-JTQLQIEISA-N -1 1 274.276 3.144 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]1Cc1ccccc1 ZINC000339012768 376630332 /nfs/dbraw/zinc/63/03/32/376630332.db2.gz DFSWUSCLCQXAGF-OAHLLOKOSA-N -1 1 298.342 3.117 20 5 CGBDMM CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000515734427 249220249 /nfs/dbraw/zinc/22/02/49/249220249.db2.gz JTXQHWGEIOEWQL-UHFFFAOYSA-N -1 1 287.319 3.473 20 5 CGBDMM CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000518846924 249287654 /nfs/dbraw/zinc/28/76/54/249287654.db2.gz XCVXEBUCBHDCKY-UHFFFAOYSA-N -1 1 291.332 3.038 20 5 CGBDMM Cc1nn(C)c(C)c1[N-]c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359340 379779199 /nfs/dbraw/zinc/77/91/99/379779199.db2.gz GHVWSHOZPDEODE-UHFFFAOYSA-N -1 1 297.318 3.237 20 5 CGBDMM CC(C)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)on1 ZINC000356082147 528041267 /nfs/dbraw/zinc/04/12/67/528041267.db2.gz UYSZDEXSJFHSFF-UHFFFAOYSA-N -1 1 293.254 3.098 20 5 CGBDMM CCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000917931994 624319654 /nfs/dbraw/zinc/31/96/54/624319654.db2.gz WPJYRFIDERCSQM-UHFFFAOYSA-N -1 1 273.292 3.128 20 5 CGBDMM Cc1nc(S/C=C\c2ccc([N+](=O)[O-])o2)[n-]c(=O)c1C ZINC000789967959 629176916 /nfs/dbraw/zinc/17/69/16/629176916.db2.gz UNIDMSCRAULHGV-WAYWQWQTSA-N -1 1 293.304 3.063 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001175736743 809523666 /nfs/dbraw/zinc/52/36/66/809523666.db2.gz KLXZLNJRYCONDC-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1ccc([N-]c2noc3cnccc32)c([N+](=O)[O-])c1 ZINC001214167360 815376176 /nfs/dbraw/zinc/37/61/76/815376176.db2.gz HYOQPWYGCDKNMV-UHFFFAOYSA-N -1 1 270.248 3.183 20 5 CGBDMM O=[N+]([O-])c1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001206180805 813229134 /nfs/dbraw/zinc/22/91/34/813229134.db2.gz XGNMSDANWCPNPG-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC001210394162 814442140 /nfs/dbraw/zinc/44/21/40/814442140.db2.gz PPFRAUXNGSBKPJ-UHFFFAOYSA-N -1 1 259.265 3.056 20 5 CGBDMM CC[C@@H](C)CC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666391 817132230 /nfs/dbraw/zinc/13/22/30/817132230.db2.gz HXKHQYNHURDTLC-NXEZZACHSA-N -1 1 268.313 3.289 20 5 CGBDMM CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001225664349 817132735 /nfs/dbraw/zinc/13/27/35/817132735.db2.gz NKSQJLUWGAJFIS-LBPRGKRZSA-N -1 1 292.266 3.365 20 5 CGBDMM Cc1cc([O-])c(O[C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC001229751590 932480167 /nfs/dbraw/zinc/48/01/67/932480167.db2.gz WDJXLJHSHJCAPY-ZDUSSCGKSA-N -1 1 286.287 3.070 20 5 CGBDMM Cc1cc([O-])c(O[C@@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC001229753999 932480541 /nfs/dbraw/zinc/48/05/41/932480541.db2.gz JZWILJLACXFKID-VIFPVBQESA-N -1 1 292.266 3.283 20 5 CGBDMM C[C@]12CCCC[C@H]1CN2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000599671303 347763013 /nfs/dbraw/zinc/76/30/13/347763013.db2.gz OWRJXZNQHUNJMF-WFASDCNBSA-N -1 1 276.336 3.065 20 5 CGBDMM Cc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339064848 292195809 /nfs/dbraw/zinc/19/58/09/292195809.db2.gz FWTJHFGGSZMYLY-GFCCVEGCSA-N -1 1 286.331 3.460 20 5 CGBDMM COc1cc(-c2nc3cccc(C)c3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000123211595 287217103 /nfs/dbraw/zinc/21/71/03/287217103.db2.gz YMVGSMNZIHPRIL-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM Cc1cc(C)cc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355888378 228036496 /nfs/dbraw/zinc/03/64/96/228036496.db2.gz SLYQJMJEFMPWNW-UHFFFAOYSA-N -1 1 298.302 3.181 20 5 CGBDMM Cc1ccc(F)cc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356023291 228090323 /nfs/dbraw/zinc/09/03/23/228090323.db2.gz QVTWBWQOJLWCMB-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c2c1C ZINC001251009291 805827422 /nfs/dbraw/zinc/82/74/22/805827422.db2.gz HLOQTZLMHUSWSU-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC001251385978 805889800 /nfs/dbraw/zinc/88/98/00/805889800.db2.gz OBTAIMSQDNFZSO-UHFFFAOYSA-N -1 1 291.213 3.122 20 5 CGBDMM CCc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210393457 814440332 /nfs/dbraw/zinc/44/03/32/814440332.db2.gz AXMOHVDUOPJMNT-UHFFFAOYSA-N -1 1 259.265 3.001 20 5 CGBDMM Cc1cc(Cl)ncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393439 814440607 /nfs/dbraw/zinc/44/06/07/814440607.db2.gz UTMCNRIYRFKXAY-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM Cc1csc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210394076 814442114 /nfs/dbraw/zinc/44/21/14/814442114.db2.gz NBIGPEHBHKUVNM-UHFFFAOYSA-N -1 1 250.279 3.414 20 5 CGBDMM O=c1cc[n-]c(O[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC001225662805 817131324 /nfs/dbraw/zinc/13/13/24/817131324.db2.gz ABRFGEYKWFHZLJ-CYBMUJFWSA-N -1 1 286.287 3.152 20 5 CGBDMM CC(C)[C@H]1CC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225664134 817132642 /nfs/dbraw/zinc/13/26/42/817132642.db2.gz KDUUKBDCMZXDAN-XYPYZODXSA-N -1 1 280.324 3.289 20 5 CGBDMM CC(C)(C)[C@H]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228141355 817822822 /nfs/dbraw/zinc/82/28/22/817822822.db2.gz PSCSFVCMDGYDOV-MGCOHNPYSA-N -1 1 295.339 3.074 20 5 CGBDMM CC(C)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229397977 932144686 /nfs/dbraw/zinc/14/46/86/932144686.db2.gz OZOYURWWDQJPQR-JTQLQIEISA-N -1 1 279.214 3.266 20 5 CGBDMM COc1ccc([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229396738 932145165 /nfs/dbraw/zinc/14/51/65/932145165.db2.gz XXSBOTMSBWIGTC-SNVBAGLBSA-N -1 1 289.287 3.449 20 5 CGBDMM CCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000601942578 347927258 /nfs/dbraw/zinc/92/72/58/347927258.db2.gz LAAYWHCGMWZWHA-UHFFFAOYSA-N -1 1 275.308 3.186 20 5 CGBDMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000613440859 348604326 /nfs/dbraw/zinc/60/43/26/348604326.db2.gz VKBZIRGKZPPKKT-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1cccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000449773569 373901966 /nfs/dbraw/zinc/90/19/66/373901966.db2.gz IRLMEHOSQPDRCZ-LBPRGKRZSA-N -1 1 286.331 3.460 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]1Cc1ccccc1 ZINC000339012767 376630184 /nfs/dbraw/zinc/63/01/84/376630184.db2.gz DFSWUSCLCQXAGF-HNNXBMFYSA-N -1 1 298.342 3.117 20 5 CGBDMM C[C@@H](Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000357275688 381091466 /nfs/dbraw/zinc/09/14/66/381091466.db2.gz FIMUMIUOSHZCGM-JTQLQIEISA-N -1 1 298.302 3.319 20 5 CGBDMM CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000293279299 275823119 /nfs/dbraw/zinc/82/31/19/275823119.db2.gz CRAUDXMJUWKXNH-UHFFFAOYSA-N -1 1 299.330 3.251 20 5 CGBDMM C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000549545512 289046022 /nfs/dbraw/zinc/04/60/22/289046022.db2.gz XPQJZUJATOWHGT-DIOULYMOSA-N -1 1 290.363 3.311 20 5 CGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc([N+](=O)[O-])c1 ZINC000171881504 321933324 /nfs/dbraw/zinc/93/33/24/321933324.db2.gz VMNNGXUJSDCSOT-UHFFFAOYSA-N -1 1 298.707 3.268 20 5 CGBDMM CCOc1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1 ZINC001250881401 805792404 /nfs/dbraw/zinc/79/24/04/805792404.db2.gz VGVITPUWIIFQIH-UHFFFAOYSA-N -1 1 299.286 3.242 20 5 CGBDMM O=[N+]([O-])c1cnc(NCc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001164060404 806883216 /nfs/dbraw/zinc/88/32/16/806883216.db2.gz FCRWZEXPSFGNCG-UHFFFAOYSA-N -1 1 297.673 3.100 20 5 CGBDMM Cc1ccc([N-]c2nnc(C(C)C)o2)cc1[N+](=O)[O-] ZINC001213659873 815318642 /nfs/dbraw/zinc/31/86/42/815318642.db2.gz DLLNBANDPRPDBZ-UHFFFAOYSA-N -1 1 262.269 3.153 20 5 CGBDMM O=[N+]([O-])c1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001203576001 812396866 /nfs/dbraw/zinc/39/68/66/812396866.db2.gz NVNHELVXANHZIG-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cccc(Cl)n2)ccc1[O-] ZINC001210393109 814440254 /nfs/dbraw/zinc/44/02/54/814440254.db2.gz OLKGIEBEJORZCO-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM COc1ccc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210395875 814442331 /nfs/dbraw/zinc/44/23/31/814442331.db2.gz GTZOXEHSWTVJNK-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CCCCCC2)n1 ZINC001231259101 818064977 /nfs/dbraw/zinc/06/49/77/818064977.db2.gz FZKSRVSNUVENID-UHFFFAOYSA-N -1 1 266.297 3.105 20 5 CGBDMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cccc1[N+](=O)[O-] ZINC000340332644 377009856 /nfs/dbraw/zinc/00/98/56/377009856.db2.gz WWWNBIQLQGWNJX-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM Cc1cc2cccnc2c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000352743711 379936889 /nfs/dbraw/zinc/93/68/89/379936889.db2.gz WQQAJZFHEOOGSY-UHFFFAOYSA-N -1 1 296.286 3.032 20 5 CGBDMM Cc1ccc2nc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2c1C ZINC000551238532 289104332 /nfs/dbraw/zinc/10/43/32/289104332.db2.gz KQFYCOPAGBYZGR-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM Cc1c2[nH]c(-c3cccc([N+](=O)[O-])c3[O-])nc2ccc1F ZINC001251271469 805874918 /nfs/dbraw/zinc/87/49/18/805874918.db2.gz FRWOSPQUEKOQNX-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM Cc1c2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2ccc1F ZINC001251385456 805889530 /nfs/dbraw/zinc/88/95/30/805889530.db2.gz AQDWZQWNLDIJIN-UHFFFAOYSA-N -1 1 287.250 3.291 20 5 CGBDMM COc1cc([O-])c(-c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC001251778546 805931773 /nfs/dbraw/zinc/93/17/73/805931773.db2.gz JENIGDULWCZDPP-UHFFFAOYSA-N -1 1 299.286 3.161 20 5 CGBDMM O=[N+]([O-])c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174476986 809032561 /nfs/dbraw/zinc/03/25/61/809032561.db2.gz DKYCGHCLZMQBHF-UHFFFAOYSA-N -1 1 265.656 3.092 20 5 CGBDMM Cc1cc(C)c(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210392385 814440352 /nfs/dbraw/zinc/44/03/52/814440352.db2.gz CIUQVZCTHDMCRD-UHFFFAOYSA-N -1 1 259.265 3.056 20 5 CGBDMM COc1cc(Cl)nc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210396642 814443702 /nfs/dbraw/zinc/44/37/02/814443702.db2.gz VSUOHFCCIOHYAL-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM CCN(c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1N ZINC001210400991 814447268 /nfs/dbraw/zinc/44/72/68/814447268.db2.gz OWHLBRZNOQTZFI-UHFFFAOYSA-N -1 1 273.292 3.041 20 5 CGBDMM C[C@H](COc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395976 932144779 /nfs/dbraw/zinc/14/47/79/932144779.db2.gz OHTIPIWKOIQHOT-LLVKDONJSA-N -1 1 289.287 3.147 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCOc3ccccc32)c1 ZINC001229395357 932144809 /nfs/dbraw/zinc/14/48/09/932144809.db2.gz HKSGKUMSSAMVFJ-AWEZNQCLSA-N -1 1 287.271 3.203 20 5 CGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cc(C)cc(C)c1 ZINC000298878772 373427601 /nfs/dbraw/zinc/42/76/01/373427601.db2.gz IZPWIVQXGFSEGL-UHFFFAOYSA-N -1 1 287.319 3.206 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)s3)no2)[n-]1 ZINC000350888797 335545252 /nfs/dbraw/zinc/54/52/52/335545252.db2.gz VMDLXMRNTICZQS-UHFFFAOYSA-N -1 1 296.695 3.355 20 5 CGBDMM Cc1noc(C)c1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750184996 573097936 /nfs/dbraw/zinc/09/79/36/573097936.db2.gz HAMAKXHLBXFWMD-UHFFFAOYSA-N -1 1 295.682 3.105 20 5 CGBDMM Cc1ccc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c2c1C ZINC001250854689 805788631 /nfs/dbraw/zinc/78/86/31/805788631.db2.gz XCQZLZCTPRSKEH-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(F)c(F)cc2[O-])c1 ZINC001175738609 809525913 /nfs/dbraw/zinc/52/59/13/809525913.db2.gz NAMMKAGKFSKNAI-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc(F)c(F)cc2[O-])c1 ZINC001201224749 811800757 /nfs/dbraw/zinc/80/07/57/811800757.db2.gz SWDNFEFOALZYTB-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001204469609 812649924 /nfs/dbraw/zinc/64/99/24/812649924.db2.gz UVAKHIYPINTAGG-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001210385465 814436276 /nfs/dbraw/zinc/43/62/76/814436276.db2.gz GZHOYRZBOHZIRB-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cccnc2C2CC2)ccc1[O-] ZINC001210393517 814440494 /nfs/dbraw/zinc/44/04/94/814440494.db2.gz DDKFIUZEQDBUQO-UHFFFAOYSA-N -1 1 271.276 3.316 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ccc(F)c(F)c2O)ccc1[O-] ZINC001210398115 814444623 /nfs/dbraw/zinc/44/46/23/814444623.db2.gz QPRYTLDAUBVGST-UHFFFAOYSA-N -1 1 282.202 3.028 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001216484776 815839425 /nfs/dbraw/zinc/83/94/25/815839425.db2.gz ZOSHKMQIXTXBTJ-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001225661521 817131110 /nfs/dbraw/zinc/13/11/10/817131110.db2.gz MFGAVFYOMBXMEP-ZETCQYMHSA-N -1 1 296.229 3.114 20 5 CGBDMM CCCC(CCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231261139 818065874 /nfs/dbraw/zinc/06/58/74/818065874.db2.gz YYSWOSFRCMBCNC-UHFFFAOYSA-N -1 1 268.313 3.351 20 5 CGBDMM CC(C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234746411 818921477 /nfs/dbraw/zinc/92/14/77/818921477.db2.gz DDVHPZQFWATERS-UHFFFAOYSA-N -1 1 286.283 3.145 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCCCCC2)c1 ZINC001229395941 932144772 /nfs/dbraw/zinc/14/47/72/932144772.db2.gz NOEFMHVIDFEABX-UHFFFAOYSA-N -1 1 251.282 3.402 20 5 CGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229398174 932144902 /nfs/dbraw/zinc/14/49/02/932144902.db2.gz QYCOJQKTLKBDHQ-JTQLQIEISA-N -1 1 259.261 3.440 20 5 CGBDMM COC1=CC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])CC1 ZINC001229754864 932480896 /nfs/dbraw/zinc/48/08/96/932480896.db2.gz UGETZLGNAYVYEI-NSHDSACASA-N -1 1 279.292 3.070 20 5 CGBDMM CC(C)CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338908645 376567198 /nfs/dbraw/zinc/56/71/98/376567198.db2.gz UERBAKXEQIWCEG-UHFFFAOYSA-N -1 1 278.352 3.311 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)[n-]1 ZINC000356611398 393498332 /nfs/dbraw/zinc/49/83/32/393498332.db2.gz WKDUASAQHJMMHK-LLVKDONJSA-N -1 1 296.286 3.051 20 5 CGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(c1ccccc1)C1CCC1 ZINC000913672969 623557857 /nfs/dbraw/zinc/55/78/57/623557857.db2.gz MJAGJSXLFYPJJR-UHFFFAOYSA-N -1 1 285.303 3.122 20 5 CGBDMM CC(C)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)no1 ZINC000152578528 623691459 /nfs/dbraw/zinc/69/14/59/623691459.db2.gz CHGCXXGKYRJBAE-UHFFFAOYSA-N -1 1 293.254 3.098 20 5 CGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001251385515 805889285 /nfs/dbraw/zinc/88/92/85/805889285.db2.gz DMPLTIKCMYXQCN-UHFFFAOYSA-N -1 1 289.678 3.497 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncc(Cl)cc2F)ccc1[O-] ZINC001210393053 814440572 /nfs/dbraw/zinc/44/05/72/814440572.db2.gz MBXUFCCBENGFIK-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnc(Cl)c(F)c2)ccc1[O-] ZINC001210394270 814441798 /nfs/dbraw/zinc/44/17/98/814441798.db2.gz SXLOXDZZXDSZGD-UHFFFAOYSA-N -1 1 283.646 3.232 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2nsc3ncccc23)ccc1[O-] ZINC001210393726 814441825 /nfs/dbraw/zinc/44/18/25/814441825.db2.gz HONDESYUHRTKQX-UHFFFAOYSA-N -1 1 288.288 3.049 20 5 CGBDMM CC(C)=CCC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667645 817134045 /nfs/dbraw/zinc/13/40/45/817134045.db2.gz VDUFWDKHGLAJOI-JTQLQIEISA-N -1 1 266.297 3.209 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)Cc2ccccc2)n1 ZINC001231260626 818066045 /nfs/dbraw/zinc/06/60/45/818066045.db2.gz UNPMMLOWOONBHH-NSHDSACASA-N -1 1 288.303 3.014 20 5 CGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC=CCCC2)n1 ZINC001231263340 818066703 /nfs/dbraw/zinc/06/67/03/818066703.db2.gz JETKRWIADIKGJN-NSHDSACASA-N -1 1 278.308 3.272 20 5 CGBDMM CSc1cc(C)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001529235750 938071814 /nfs/dbraw/zinc/07/18/14/938071814.db2.gz CCLNPNKRSZJEAS-UHFFFAOYSA-N -1 1 292.316 3.470 20 5 CGBDMM CCc1cc(=O)[n-]c(SCc2csc([N+](=O)[O-])c2)n1 ZINC000436214050 529567090 /nfs/dbraw/zinc/56/70/90/529567090.db2.gz YYMVAQDHRYIJJV-UHFFFAOYSA-N -1 1 297.361 3.007 20 5 CGBDMM CCn1nc(C)c([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000153850983 188108553 /nfs/dbraw/zinc/10/85/53/188108553.db2.gz XWENLKKRSHSPSS-UHFFFAOYSA-N -1 1 295.730 3.220 20 5 CGBDMM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000336356170 213205461 /nfs/dbraw/zinc/20/54/61/213205461.db2.gz TUKBBGTYXGDIQK-UHFFFAOYSA-N -1 1 293.710 3.161 20 5 CGBDMM Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000336167984 375744537 /nfs/dbraw/zinc/74/45/37/375744537.db2.gz SYUYPFCOXDBTIU-UHFFFAOYSA-N -1 1 279.683 3.137 20 5 CGBDMM CC1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000339133691 376699483 /nfs/dbraw/zinc/69/94/83/376699483.db2.gz CQZHNACFEFTETL-UHFFFAOYSA-N -1 1 296.392 3.018 20 5 CGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174877142 335168414 /nfs/dbraw/zinc/16/84/14/335168414.db2.gz UKLNRJZYLCZWPO-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM COc1ccc(Nc2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001176366656 809679020 /nfs/dbraw/zinc/67/90/20/809679020.db2.gz XFUOEJJWAHUVNR-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cccc(Nc2c(F)cc([O-])cc2F)c1F ZINC001210386742 814436879 /nfs/dbraw/zinc/43/68/79/814436879.db2.gz YSYXAGBUGRSBQA-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM Cc1cc(N)cc2c1ccn2-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399303 814445807 /nfs/dbraw/zinc/44/58/07/814445807.db2.gz VIQNVCJNIYTSMX-UHFFFAOYSA-N -1 1 283.287 3.135 20 5 CGBDMM CC[C@@H](C)CC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666396 817132252 /nfs/dbraw/zinc/13/22/52/817132252.db2.gz HXKHQYNHURDTLC-ZJUUUORDSA-N -1 1 268.313 3.289 20 5 CGBDMM CC[C@H](C)CC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666394 817133209 /nfs/dbraw/zinc/13/32/09/817133209.db2.gz HXKHQYNHURDTLC-VHSXEESVSA-N -1 1 268.313 3.289 20 5 CGBDMM CC1CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229395795 927343521 /nfs/dbraw/zinc/34/35/21/927343521.db2.gz MFQCRGDHFFMQFG-UHFFFAOYSA-N -1 1 251.282 3.258 20 5 CGBDMM C[C@@H](Cc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395988 932145085 /nfs/dbraw/zinc/14/50/85/932145085.db2.gz OMZXEZNJFSQHRE-NSHDSACASA-N -1 1 273.288 3.310 20 5 CGBDMM Cc1cc([O-])c(O[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001229751963 932479862 /nfs/dbraw/zinc/47/98/62/932479862.db2.gz ZJBHPJNVWGWWDU-WCBMZHEXSA-N -1 1 251.282 3.176 20 5 CGBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000339007473 376626061 /nfs/dbraw/zinc/62/60/61/376626061.db2.gz SIVNNGQUTQPQEH-UHFFFAOYSA-N -1 1 292.678 3.206 20 5 CGBDMM C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000549545513 289046154 /nfs/dbraw/zinc/04/61/54/289046154.db2.gz XPQJZUJATOWHGT-DJSGYFEHSA-N -1 1 290.363 3.311 20 5 CGBDMM O=C([N-]c1ccsc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000187886028 327726609 /nfs/dbraw/zinc/72/66/09/327726609.db2.gz BZNFBUVDLDCIAY-UHFFFAOYSA-N -1 1 272.669 3.155 20 5 CGBDMM CC(C)c1ccc(C=C2SC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000915840235 624040784 /nfs/dbraw/zinc/04/07/84/624040784.db2.gz YROWKHWXGMNBNQ-WDZFZDKYSA-N -1 1 292.316 3.042 20 5 CGBDMM Cc1csc([N-]c2ccc(F)cc2[N+](=O)[O-])n1 ZINC001210950467 814688689 /nfs/dbraw/zinc/68/86/89/814688689.db2.gz VYJVNMJWWLJBMS-UHFFFAOYSA-N -1 1 253.258 3.242 20 5 CGBDMM CC/C=C(\C)[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664091 817131060 /nfs/dbraw/zinc/13/10/60/817131060.db2.gz JFQMLRCZLYYPCA-LAHYYIKRSA-N -1 1 266.297 3.209 20 5 CGBDMM O=c1cc[n-]c(OC2CCCCCCC2)c1[N+](=O)[O-] ZINC001225666102 817133337 /nfs/dbraw/zinc/13/33/37/817133337.db2.gz GFCZUNRMJKLGMX-UHFFFAOYSA-N -1 1 266.297 3.187 20 5 CGBDMM CCC[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860555 818026840 /nfs/dbraw/zinc/02/68/40/818026840.db2.gz VVGKSNGSWLWILA-LURJTMIESA-N -1 1 294.229 3.282 20 5 CGBDMM COc1cccc([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229396687 932144791 /nfs/dbraw/zinc/14/47/91/932144791.db2.gz WNMSAWPWHRYCMW-JTQLQIEISA-N -1 1 289.287 3.449 20 5 CGBDMM C[C@H](COc1cc([N+](=O)[O-])ccc1[O-])Oc1ccccc1 ZINC001229396410 932145364 /nfs/dbraw/zinc/14/53/64/932145364.db2.gz SZQGOGBNUIAILU-LLVKDONJSA-N -1 1 289.287 3.147 20 5 CGBDMM C[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1cccs1 ZINC000357016750 380990565 /nfs/dbraw/zinc/99/05/65/380990565.db2.gz NJOSZNHULHEIAC-SSDOTTSWSA-N -1 1 290.304 3.186 20 5 CGBDMM Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1F ZINC000356026997 534001900 /nfs/dbraw/zinc/00/19/00/534001900.db2.gz ZLJJUECONBLBNQ-UHFFFAOYSA-N -1 1 288.238 3.087 20 5 CGBDMM CCOc1cccc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc21 ZINC001251389971 805889256 /nfs/dbraw/zinc/88/92/56/805889256.db2.gz SRDPRGFTGJWWPN-UHFFFAOYSA-N -1 1 299.286 3.242 20 5 CGBDMM COc1ccc(Nc2ccc(F)c([O-])c2)c([N+](=O)[O-])c1 ZINC001248475251 804936560 /nfs/dbraw/zinc/93/65/60/804936560.db2.gz XSYADFUFEFFODU-UHFFFAOYSA-N -1 1 278.239 3.192 20 5 CGBDMM O=C(Nc1ccc(C2CC2)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC001175322182 809354260 /nfs/dbraw/zinc/35/42/60/809354260.db2.gz PZTUMVLUSNRYIR-UHFFFAOYSA-N -1 1 289.266 3.192 20 5 CGBDMM CC(C)(C)Cc1cc([N-]c2ccc([N+](=O)[O-])nc2)on1 ZINC001203560224 812393215 /nfs/dbraw/zinc/39/32/15/812393215.db2.gz JCKXXAJVXRVPLY-UHFFFAOYSA-N -1 1 276.296 3.310 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1ccc(F)cc1[O-] ZINC001210444051 814458953 /nfs/dbraw/zinc/45/89/53/814458953.db2.gz DJLFYNPAQKBTBA-UHFFFAOYSA-N -1 1 278.239 3.192 20 5 CGBDMM CCC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228140644 817821626 /nfs/dbraw/zinc/82/16/26/817821626.db2.gz LKIUKQSBSKCJCP-LLVKDONJSA-N -1 1 289.291 3.011 20 5 CGBDMM CC[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC001231259078 818065794 /nfs/dbraw/zinc/06/57/94/818065794.db2.gz FGOIOTGBHAJVNI-JTQLQIEISA-N -1 1 268.313 3.207 20 5 CGBDMM O=[N+]([O-])c1cc2nc(O[C@@H]3C[C@H]4C[C@H]4C3)[n-]c2cc1Cl ZINC001233497833 818627651 /nfs/dbraw/zinc/62/76/51/818627651.db2.gz IHLSZJFXRQWAAB-RNLVFQAGSA-N -1 1 293.710 3.302 20 5 CGBDMM C[C@@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395448 927343167 /nfs/dbraw/zinc/34/31/67/927343167.db2.gz IMBVCALKDWNATM-MWLCHTKSSA-N -1 1 251.282 3.258 20 5 CGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H](c2cccnc2)C2CC2)c1 ZINC001229396167 932145259 /nfs/dbraw/zinc/14/52/59/932145259.db2.gz QPCFOWWKIPSVGU-OAHLLOKOSA-N -1 1 286.287 3.226 20 5 CGBDMM Cc1cc([O-])c(OC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC001229751211 932480144 /nfs/dbraw/zinc/48/01/44/932480144.db2.gz SMYMCZDEQBXUEL-UHFFFAOYSA-N -1 1 263.293 3.176 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([O-])cc1F ZINC001463669454 937679180 /nfs/dbraw/zinc/67/91/80/937679180.db2.gz WYUNCTPFWHPRRI-UHFFFAOYSA-N -1 1 290.250 3.000 20 5 CGBDMM CCCc1c(C)[n-]n(-c2cccc([N+](=O)[O-])c2C)c1=O ZINC000601941498 347926956 /nfs/dbraw/zinc/92/69/56/347926956.db2.gz YDGJCHURMDKIIU-LLVKDONJSA-N -1 1 275.308 3.042 20 5 CGBDMM CC(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000604042506 348107266 /nfs/dbraw/zinc/10/72/66/348107266.db2.gz FVTBGJUOORCYFM-UHFFFAOYSA-N -1 1 273.292 3.299 20 5 CGBDMM CCc1nn(C)cc1[N-]c1nc2ccccc2cc1[N+](=O)[O-] ZINC000358662781 233174951 /nfs/dbraw/zinc/17/49/51/233174951.db2.gz JUVUYPVUPWPKFF-UHFFFAOYSA-N -1 1 297.318 3.183 20 5 CGBDMM Cc1ccccc1[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357718041 381265155 /nfs/dbraw/zinc/26/51/55/381265155.db2.gz TYZJNXPZIISRRM-SNVBAGLBSA-N -1 1 298.302 3.433 20 5 CGBDMM CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1CC ZINC000570873601 322284430 /nfs/dbraw/zinc/28/44/30/322284430.db2.gz CQGOFNOLLUSEDB-UHFFFAOYSA-N -1 1 287.319 3.300 20 5 CGBDMM O=C(OC/C=C/c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769050374 627520409 /nfs/dbraw/zinc/52/04/09/627520409.db2.gz ULJYAEXTQXKSKC-QPJJXVBHSA-N -1 1 299.282 3.171 20 5 CGBDMM CCc1cc(=O)[n-]c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC000789967971 629176754 /nfs/dbraw/zinc/17/67/54/629176754.db2.gz MODCNGZEMKKPQZ-AATRIKPKSA-N -1 1 293.304 3.009 20 5 CGBDMM Cc1ccc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc2c1C ZINC001251386028 805889331 /nfs/dbraw/zinc/88/93/31/805889331.db2.gz QPRKSFSFNAXENB-UHFFFAOYSA-N -1 1 283.287 3.461 20 5 CGBDMM COc1ccc(Nc2cc(Cl)ncc2[O-])cc1[N+](=O)[O-] ZINC001176363862 809678086 /nfs/dbraw/zinc/67/80/86/809678086.db2.gz RKXMNKIEUQHWHS-UHFFFAOYSA-N -1 1 295.682 3.101 20 5 CGBDMM Cc1ccnc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392803 814440597 /nfs/dbraw/zinc/44/05/97/814440597.db2.gz JYVJEORZGNMTHZ-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncnc3sccc32)ccc1[O-] ZINC001210393000 814440691 /nfs/dbraw/zinc/44/06/91/814440691.db2.gz SJOIIWUUQDYFOZ-UHFFFAOYSA-N -1 1 288.288 3.049 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnc3c(c2)CCCC3)ccc1[O-] ZINC001210394582 814441505 /nfs/dbraw/zinc/44/15/05/814441505.db2.gz ZIOXMVPWNWJMNA-UHFFFAOYSA-N -1 1 285.303 3.318 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2cnc3occc3c2)ccc1[O-] ZINC001210395917 814442755 /nfs/dbraw/zinc/44/27/55/814442755.db2.gz JAEXVARWKXOOMU-UHFFFAOYSA-N -1 1 271.232 3.185 20 5 CGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]c1noc(C(C)(C)C)n1 ZINC001211284261 814870342 /nfs/dbraw/zinc/87/03/42/814870342.db2.gz KCFLKGUDVWBFBS-UHFFFAOYSA-N -1 1 276.296 3.327 20 5 CGBDMM Cc1cccc2c1CC[C@@H]2Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663131 817130927 /nfs/dbraw/zinc/13/09/27/817130927.db2.gz ZAEGPHKEYDQJPP-ZDUSSCGKSA-N -1 1 286.287 3.070 20 5 CGBDMM CC[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC001231259079 818066371 /nfs/dbraw/zinc/06/63/71/818066371.db2.gz FGOIOTGBHAJVNI-SNVBAGLBSA-N -1 1 268.313 3.207 20 5 CGBDMM Cc1ccc([C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231265054 818067950 /nfs/dbraw/zinc/06/79/50/818067950.db2.gz WACLRVHVNCGTAY-NSHDSACASA-N -1 1 288.303 3.452 20 5 CGBDMM Cc1cc([O-])c(O[C@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC001229755148 928039074 /nfs/dbraw/zinc/03/90/74/928039074.db2.gz WMVZHWPQEXMTGT-SECBINFHSA-N -1 1 263.249 3.342 20 5 CGBDMM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000601937160 347926600 /nfs/dbraw/zinc/92/66/00/347926600.db2.gz CDLPIHQHMLQNCM-SNVBAGLBSA-N -1 1 295.726 3.387 20 5 CGBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCc4ccccc43)no2)[n-]1 ZINC000356611399 393498804 /nfs/dbraw/zinc/49/88/04/393498804.db2.gz WKDUASAQHJMMHK-NSHDSACASA-N -1 1 296.286 3.051 20 5 CGBDMM CC(C)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000426377709 528190553 /nfs/dbraw/zinc/19/05/53/528190553.db2.gz DMIQNOIQWNIJLO-UHFFFAOYSA-N -1 1 287.319 3.323 20 5 CGBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000928786584 620219441 /nfs/dbraw/zinc/21/94/41/620219441.db2.gz MSAUYZFXKCKXNZ-UHFFFAOYSA-N -1 1 295.320 3.328 20 5 CGBDMM O=[N+]([O-])c1ccc(F)c(Nc2ccc(F)cc2[O-])c1 ZINC001175737075 809524373 /nfs/dbraw/zinc/52/43/73/809524373.db2.gz SQVFYJIJSHHWIJ-UHFFFAOYSA-N -1 1 266.203 3.322 20 5 CGBDMM Cc1ccc(Nc2cc(Cl)ncc2[O-])cc1[N+](=O)[O-] ZINC001213663786 815320065 /nfs/dbraw/zinc/32/00/65/815320065.db2.gz YGSAIWFIDXKGPY-UHFFFAOYSA-N -1 1 279.683 3.401 20 5 CGBDMM COC(=O)c1c(C)csc1[N-]c1ccccc1[N+](=O)[O-] ZINC001206144519 813212440 /nfs/dbraw/zinc/21/24/40/813212440.db2.gz MRCPGCRVLMVOPO-UHFFFAOYSA-N -1 1 292.316 3.495 20 5 CGBDMM O=[N+]([O-])c1cc(Nc2ncccc2C2CC2)ccc1[O-] ZINC001210396237 814443419 /nfs/dbraw/zinc/44/34/19/814443419.db2.gz OXZGNWBUPAHCCH-UHFFFAOYSA-N -1 1 271.276 3.316 20 5 CGBDMM COc1ccc([N+](=O)[O-])cc1Nc1c(F)cc([O-])cc1F ZINC001210447903 814460962 /nfs/dbraw/zinc/46/09/62/814460962.db2.gz NYOYEHWXNHINGM-UHFFFAOYSA-N -1 1 296.229 3.331 20 5 CGBDMM O=[N+]([O-])c1cc(F)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001216483954 815837930 /nfs/dbraw/zinc/83/79/30/815837930.db2.gz WEKNFFRZHDXRLS-UHFFFAOYSA-N -1 1 284.193 3.461 20 5 CGBDMM CCC(CC)[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667249 817134457 /nfs/dbraw/zinc/13/44/57/817134457.db2.gz QGANYZCTIWIUMV-NSHDSACASA-N -1 1 268.313 3.289 20 5 CGBDMM C[C@H](CCc1ccccc1)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668171 817134545 /nfs/dbraw/zinc/13/45/45/817134545.db2.gz ZGXIJTZIOYISFL-LLVKDONJSA-N -1 1 288.303 3.096 20 5 CGBDMM