smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077108592 291151706 /nfs/dbraw/zinc/15/17/06/291151706.db2.gz OHTJLBFXCIKAJT-FZMZJTMJSA-N 0 2 344.342 3.458 20 5 EGBDLN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000159397933 206244138 /nfs/dbraw/zinc/24/41/38/206244138.db2.gz WSSBBZVSJCMBLH-SNVBAGLBSA-N 0 2 349.412 3.461 20 5 EGBDLN CCc1ncsc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000161979266 206379584 /nfs/dbraw/zinc/37/95/84/206379584.db2.gz IXCDQIHLXNBWAH-UHFFFAOYSA-N 0 2 341.414 3.031 20 5 EGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000175650597 207146599 /nfs/dbraw/zinc/14/65/99/207146599.db2.gz JQIPYLDPCKDXNM-UHFFFAOYSA-N 0 2 342.351 3.058 20 5 EGBDLN CCCC(=O)Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000350615828 141256232 /nfs/dbraw/zinc/25/62/32/141256232.db2.gz KOASBESGSLFCFE-UHFFFAOYSA-N 0 2 343.339 3.291 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc(-c2ccco2)s1 ZINC000092546067 161972696 /nfs/dbraw/zinc/97/26/96/161972696.db2.gz MXDXSTBMVVLVJD-UHFFFAOYSA-N 0 2 331.309 3.269 20 5 EGBDLN CC(C)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000344205951 164126796 /nfs/dbraw/zinc/12/67/96/164126796.db2.gz DEYURYGWRIAXDQ-UHFFFAOYSA-N 0 2 344.367 3.265 20 5 EGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2csc(Cl)c2Cl)[nH]1 ZINC000352013232 165192712 /nfs/dbraw/zinc/19/27/12/165192712.db2.gz HZDDYUXYRHPTOU-UPHRSURJSA-N 0 2 334.140 3.335 20 5 EGBDLN O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000156669190 264830848 /nfs/dbraw/zinc/83/08/48/264830848.db2.gz MUWIBTZEAQRPGD-UHFFFAOYSA-N 0 2 330.325 3.004 20 5 EGBDLN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000175970511 265149338 /nfs/dbraw/zinc/14/93/38/265149338.db2.gz IZFHNXDNOOJGDR-UHFFFAOYSA-N 0 2 341.302 3.080 20 5 EGBDLN O=C(Nc1ccccc1OCC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000184569645 265468813 /nfs/dbraw/zinc/46/88/13/265468813.db2.gz VKMNASZRSIUAKU-UHFFFAOYSA-N 0 2 338.266 3.197 20 5 EGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc3[nH]ccc32)c1[N+](=O)[O-] ZINC000189281281 265750829 /nfs/dbraw/zinc/75/08/29/265750829.db2.gz OESAEIQJEMRHTB-UHFFFAOYSA-N 0 2 345.380 3.494 20 5 EGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(C)cccc2O)cc1C ZINC000194242428 266100064 /nfs/dbraw/zinc/10/00/64/266100064.db2.gz XKZRPXJGNAYFSZ-UHFFFAOYSA-N 0 2 336.369 3.026 20 5 EGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000103057716 275160256 /nfs/dbraw/zinc/16/02/56/275160256.db2.gz JNWDCVXHQNYXIA-UHFFFAOYSA-N 0 2 344.751 3.497 20 5 EGBDLN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2N1 ZINC000164293327 280007552 /nfs/dbraw/zinc/00/75/52/280007552.db2.gz RWMVXTHULUVDMR-HNNXBMFYSA-N 0 2 341.367 3.397 20 5 EGBDLN Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)nc2C)c([N+](=O)[O-])c1 ZINC000414463796 309081926 /nfs/dbraw/zinc/08/19/26/309081926.db2.gz WPRDSYTXNICFCY-UHFFFAOYSA-N 0 2 335.385 3.024 20 5 EGBDLN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000295536216 308336602 /nfs/dbraw/zinc/33/66/02/308336602.db2.gz YLVHFRMMFNUVBS-AEJSXWLSSA-N 0 2 346.305 3.492 20 5 EGBDLN Cc1cc(Cl)cnc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359467971 308892745 /nfs/dbraw/zinc/89/27/45/308892745.db2.gz BPYHZJRELAEHIR-UHFFFAOYSA-N 0 2 341.776 3.061 20 5 EGBDLN CC(C)(C)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nc1 ZINC000436819054 309775855 /nfs/dbraw/zinc/77/58/55/309775855.db2.gz MKFYMPMXHISSKX-UHFFFAOYSA-N 0 2 331.328 3.125 20 5 EGBDLN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436889695 309779628 /nfs/dbraw/zinc/77/96/28/309779628.db2.gz XBIOIILOWBEJAO-VIFPVBQESA-N 0 2 348.305 3.338 20 5 EGBDLN CC(F)(F)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436944956 309782433 /nfs/dbraw/zinc/78/24/33/309782433.db2.gz DDEGIUHUTDSOHK-UHFFFAOYSA-N 0 2 336.294 3.342 20 5 EGBDLN CC1(C)CCc2cc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])ccc2O1 ZINC000453019778 310253027 /nfs/dbraw/zinc/25/30/27/310253027.db2.gz CTOOLWXPFIGIDV-HWKANZROSA-N 0 2 343.339 3.070 20 5 EGBDLN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000462447240 310599963 /nfs/dbraw/zinc/59/99/63/310599963.db2.gz NJJKHGXIZSJGDK-UHFFFAOYSA-N 0 2 334.759 3.235 20 5 EGBDLN Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493136079 311332583 /nfs/dbraw/zinc/33/25/83/311332583.db2.gz XZMIEJUYLPTPJD-CYBMUJFWSA-N 0 2 334.807 3.418 20 5 EGBDLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1csc([N+](=O)[O-])c1 ZINC000517746400 312392127 /nfs/dbraw/zinc/39/21/27/312392127.db2.gz QTJMSNRFXQBGSK-UHFFFAOYSA-N 0 2 349.759 3.347 20 5 EGBDLN C[C@@H](C(=O)[O-])[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000581143770 325334920 /nfs/dbraw/zinc/33/49/20/325334920.db2.gz SNCJFKZPGPIGPV-NSHDSACASA-N 0 2 345.355 3.077 20 5 EGBDLN C[C@@H](C(=O)[O-])[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000581143770 325334921 /nfs/dbraw/zinc/33/49/21/325334921.db2.gz SNCJFKZPGPIGPV-NSHDSACASA-N 0 2 345.355 3.077 20 5 EGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(OC)cc1 ZINC000018132290 453644472 /nfs/dbraw/zinc/64/44/72/453644472.db2.gz IUPAVSGPFWOEKX-CQSZACIVSA-N 0 2 330.340 3.190 20 5 EGBDLN CCOc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C ZINC000066588183 453853435 /nfs/dbraw/zinc/85/34/35/453853435.db2.gz YPZKUPIVCFUPMV-UHFFFAOYSA-N 0 2 336.369 3.103 20 5 EGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C)c1C ZINC000055547041 453993317 /nfs/dbraw/zinc/99/33/17/453993317.db2.gz FAOUPHDZKCAGDA-UHFFFAOYSA-N 0 2 336.369 3.021 20 5 EGBDLN O=C(CCCOCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540884 454159942 /nfs/dbraw/zinc/15/99/42/454159942.db2.gz PMAQKMKXEXLIEX-UHFFFAOYSA-N 0 2 344.367 3.278 20 5 EGBDLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000072758320 454336520 /nfs/dbraw/zinc/33/65/20/454336520.db2.gz JAEALSRPDJOUFI-UHFFFAOYSA-N 0 2 342.760 3.063 20 5 EGBDLN Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000097080097 454400190 /nfs/dbraw/zinc/40/01/90/454400190.db2.gz HVNLHWGCDKCMEL-CYBMUJFWSA-N 0 2 347.396 3.215 20 5 EGBDLN O=C(Nc1cccc(COCC2CC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065219541 454539879 /nfs/dbraw/zinc/53/98/79/454539879.db2.gz AUEJRZGJWDMWNC-UHFFFAOYSA-N 0 2 342.351 3.479 20 5 EGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000150753080 454886629 /nfs/dbraw/zinc/88/66/29/454886629.db2.gz JAKKMLHKUQYQLL-UHFFFAOYSA-N 0 2 330.724 3.188 20 5 EGBDLN CC(C)(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000183604069 455311028 /nfs/dbraw/zinc/31/10/28/455311028.db2.gz DBWLPOQNRZYECQ-NSHDSACASA-N 0 2 334.294 3.397 20 5 EGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nccc2sccc21 ZINC000182021302 455418312 /nfs/dbraw/zinc/41/83/12/455418312.db2.gz RRJZLVCHOWWLPP-UHFFFAOYSA-N 0 2 349.393 3.314 20 5 EGBDLN CCC(CC)n1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000182087099 455432062 /nfs/dbraw/zinc/43/20/62/455432062.db2.gz RJCQDOOKFZCZHA-UHFFFAOYSA-N 0 2 332.360 3.419 20 5 EGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2ccc(Cl)cc2C1 ZINC000185789057 455621662 /nfs/dbraw/zinc/62/16/62/455621662.db2.gz NKVKNIYOYKLNFC-UHFFFAOYSA-N 0 2 332.743 3.152 20 5 EGBDLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000292710167 455738240 /nfs/dbraw/zinc/73/82/40/455738240.db2.gz YEOLTRCMIXVIST-UHFFFAOYSA-N 0 2 335.385 3.088 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000353869575 456942921 /nfs/dbraw/zinc/94/29/21/456942921.db2.gz UKMREKGHIMZUFN-NSHDSACASA-N 0 2 348.742 3.459 20 5 EGBDLN C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000353906095 456960147 /nfs/dbraw/zinc/96/01/47/456960147.db2.gz OKBZYJHAJDCCFL-SECBINFHSA-N 0 2 336.294 3.412 20 5 EGBDLN CCC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000436647781 458352675 /nfs/dbraw/zinc/35/26/75/458352675.db2.gz LGWYTHJXIPWBRU-UHFFFAOYSA-N 0 2 332.287 3.285 20 5 EGBDLN CCC(=O)c1ccc(O)c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC000436651590 458353191 /nfs/dbraw/zinc/35/31/91/458353191.db2.gz HAPGQAWIBYUERW-UHFFFAOYSA-N 0 2 344.323 3.154 20 5 EGBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000436799285 458383023 /nfs/dbraw/zinc/38/30/23/458383023.db2.gz BXYPIRSTSGUMFG-UHFFFAOYSA-N 0 2 346.339 3.349 20 5 EGBDLN C[C@H](OCCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436867490 458396088 /nfs/dbraw/zinc/39/60/88/458396088.db2.gz BYWPQOZUKCJCJP-ZDUSSCGKSA-N 0 2 344.367 3.198 20 5 EGBDLN CCSCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436904895 458402228 /nfs/dbraw/zinc/40/22/28/458402228.db2.gz GNMAIDVGXMDHSD-UHFFFAOYSA-N 0 2 333.369 3.201 20 5 EGBDLN C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613969794 459980289 /nfs/dbraw/zinc/98/02/89/459980289.db2.gz VFKBQLWOOPJUPR-JTQLQIEISA-N 0 2 330.315 3.199 20 5 EGBDLN CCCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603519900 460316260 /nfs/dbraw/zinc/31/62/60/460316260.db2.gz NFJUVBJAOVPWNQ-UHFFFAOYSA-N 0 2 332.331 3.492 20 5 EGBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)c1ccccc1 ZINC000611294642 460331462 /nfs/dbraw/zinc/33/14/62/460331462.db2.gz LKMSILBYADNQCN-NSHDSACASA-N 0 2 328.324 3.148 20 5 EGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000619466207 460364022 /nfs/dbraw/zinc/36/40/22/460364022.db2.gz KOMYKKGPVMATSO-UHFFFAOYSA-N 0 2 336.369 3.021 20 5 EGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2s1 ZINC000734177854 575447664 /nfs/dbraw/zinc/44/76/64/575447664.db2.gz LVQGWBQIKPKAIN-VIFPVBQESA-N 0 2 343.364 3.401 20 5 EGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2s1 ZINC000734177853 575447817 /nfs/dbraw/zinc/44/78/17/575447817.db2.gz LVQGWBQIKPKAIN-SECBINFHSA-N 0 2 343.364 3.401 20 5 EGBDLN Cc1cnccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083955169 1292692662 /nfs/dbraw/zinc/69/26/62/1292692662.db2.gz XUSNWCUCBFSNIQ-UHFFFAOYSA-N 0 2 341.776 3.061 20 5 EGBDLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000162377165 1294313857 /nfs/dbraw/zinc/31/38/57/1294313857.db2.gz OGQSIISLNMSFJG-UHFFFAOYSA-N 0 2 341.776 3.061 20 5 EGBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1Cl ZINC000751266493 1299532045 /nfs/dbraw/zinc/53/20/45/1299532045.db2.gz FRNHLSNEPKCCHV-UHFFFAOYSA-N 0 2 348.714 3.327 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)c1ccc(F)cc1 ZINC000770856845 1303322607 /nfs/dbraw/zinc/32/26/07/1303322607.db2.gz NKAFSUOIDBXKNB-UHFFFAOYSA-N 0 2 326.230 3.170 20 5 EGBDLN CON(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000812796465 1318456504 /nfs/dbraw/zinc/45/65/04/1318456504.db2.gz QGWJAWFKRINGPM-UHFFFAOYSA-N 0 2 336.731 3.158 20 5 EGBDLN CC(=O)c1ccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc1 ZINC001216845499 1373350541 /nfs/dbraw/zinc/35/05/41/1373350541.db2.gz RQEZVRANQVLQOI-UHFFFAOYSA-N 0 2 325.280 3.220 20 5 EGBDLN C[C@@H]([NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593198217 994169384 /nfs/dbraw/zinc/16/93/84/994169384.db2.gz OHKVUAJZYNFZRE-SECBINFHSA-N 0 2 335.385 3.335 20 5 EGBDLN C[C@]([NH2+]Cc1cnc(C2CC2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310318 994772401 /nfs/dbraw/zinc/77/24/01/994772401.db2.gz HJFQHHOQMQEJDE-MRXNPFEDSA-N 0 2 347.396 3.018 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCC2)c(F)c1 ZINC000092548838 303999299 /nfs/dbraw/zinc/99/92/99/303999299.db2.gz RRNAVRROHHHGDL-UHFFFAOYSA-N 0 2 345.330 3.292 20 5 EGBDLN COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000035278766 202294920 /nfs/dbraw/zinc/29/49/20/202294920.db2.gz QZDUUHBFHZULFC-UHFFFAOYSA-N 0 2 345.336 3.171 20 5 EGBDLN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000125623922 205018346 /nfs/dbraw/zinc/01/83/46/205018346.db2.gz IJQBFCISPJSRIR-AWEZNQCLSA-N 0 2 346.339 3.017 20 5 EGBDLN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000174331338 207012451 /nfs/dbraw/zinc/01/24/51/207012451.db2.gz AZXOWYRNZYAEHJ-CXAGYDPISA-N 0 2 340.383 3.185 20 5 EGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000268610819 252065415 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O=C(C(F)C(F)(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000833909014 1293069651 /nfs/dbraw/zinc/06/96/51/1293069651.db2.gz RJGQBJRCKZGXSE-ZYHUDNBSSA-N 0 2 334.269 3.201 20 5 EGBDLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000833909014 1293069657 /nfs/dbraw/zinc/06/96/57/1293069657.db2.gz RJGQBJRCKZGXSE-ZYHUDNBSSA-N 0 2 334.269 3.201 20 5 EGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2ccccc2C2(CCC2)C1 ZINC000436818427 1297844598 /nfs/dbraw/zinc/84/45/98/1297844598.db2.gz AWDRJZNIOVSHMD-UHFFFAOYSA-N 0 2 338.363 3.378 20 5 EGBDLN NC(=S)/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2[nH]1 ZINC000748307386 1298981872 /nfs/dbraw/zinc/98/18/72/1298981872.db2.gz KXCNRWWPPUAGAS-YFHOEESVSA-N 0 2 340.364 3.003 20 5 EGBDLN CSc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1[N+](=O)[O-] ZINC000920586480 1322196858 /nfs/dbraw/zinc/19/68/58/1322196858.db2.gz VYMNUQQICAMQAC-UHFFFAOYSA-N 0 2 349.324 3.183 20 5 EGBDLN COc1cc(-c2nc(-c3cccc(C)c3F)no2)cc([N+](=O)[O-])c1O ZINC001216837143 1373349064 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EGBDLN Cc1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(F)cc1F ZINC000355877043 166335392 /nfs/dbraw/zinc/33/53/92/166335392.db2.gz BPAIIQNZYNVBDU-UHFFFAOYSA-N 0 2 346.286 3.121 20 5 EGBDLN CCCOC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000175002962 265084930 /nfs/dbraw/zinc/08/49/30/265084930.db2.gz WMFRMAITLSSXFX-UHFFFAOYSA-N 0 2 336.388 3.160 20 5 EGBDLN Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000145523989 307721765 /nfs/dbraw/zinc/72/17/65/307721765.db2.gz CTAKTUOUYDZXCP-UHFFFAOYSA-N 0 2 326.761 3.357 20 5 EGBDLN Cc1sc(S(=O)(=O)Nc2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC000163923832 307925228 /nfs/dbraw/zinc/92/52/28/307925228.db2.gz KEPUADAQUKLZRQ-UHFFFAOYSA-N 0 2 330.362 3.213 20 5 EGBDLN CC1(C)CCc2sc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000421972963 309348883 /nfs/dbraw/zinc/34/88/83/309348883.db2.gz SVKZTXGNFZSJRP-UHFFFAOYSA-N 0 2 333.369 3.233 20 5 EGBDLN COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1OC(C)C ZINC000436982202 309784232 /nfs/dbraw/zinc/78/42/32/309784232.db2.gz UAYWUFUKWSMGKD-UHFFFAOYSA-N 0 2 346.339 3.349 20 5 EGBDLN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1C ZINC000445228787 309938112 /nfs/dbraw/zinc/93/81/12/309938112.db2.gz NHXKTLOTRREASW-UHFFFAOYSA-N 0 2 327.296 3.334 20 5 EGBDLN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493360884 311365315 /nfs/dbraw/zinc/36/53/15/311365315.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 0 2 335.795 3.054 20 5 EGBDLN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000510019694 312130789 /nfs/dbraw/zinc/13/07/89/312130789.db2.gz YMTUSQPSDWYWTG-HNNXBMFYSA-N 0 2 346.358 3.437 20 5 EGBDLN O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000524174346 312648348 /nfs/dbraw/zinc/64/83/48/312648348.db2.gz JYNIIKHPITXCLR-UHFFFAOYSA-N 0 2 346.770 3.415 20 5 EGBDLN Cc1cccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000536312127 314106224 /nfs/dbraw/zinc/10/62/24/314106224.db2.gz IPMPCYVYACXFOP-UHFFFAOYSA-N 0 2 330.340 3.325 20 5 EGBDLN 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COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903556 454606420 /nfs/dbraw/zinc/60/64/20/454606420.db2.gz PTBNGIWJAGJKDN-WBVHZDCISA-N 0 2 345.443 3.052 20 5 EGBDLN CSCCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000160235059 455440448 /nfs/dbraw/zinc/44/04/48/455440448.db2.gz STCLJDBASQJMHO-UHFFFAOYSA-N 0 2 332.381 3.458 20 5 EGBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000160955183 455517897 /nfs/dbraw/zinc/51/78/97/455517897.db2.gz BVYLEUXTTSQKIW-UHFFFAOYSA-N 0 2 343.368 3.230 20 5 EGBDLN Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186445204 455769944 /nfs/dbraw/zinc/76/99/44/455769944.db2.gz SFTNEJJAKJFUTO-UHFFFAOYSA-N 0 2 338.323 3.047 20 5 EGBDLN CC[C@H](C)CONC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000293581292 455791710 /nfs/dbraw/zinc/79/17/10/455791710.db2.gz AXEPLQAOEVPUJK-AWEZNQCLSA-N 0 2 338.407 3.249 20 5 EGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1sc(C)nc1C ZINC000290534882 456356415 /nfs/dbraw/zinc/35/64/15/456356415.db2.gz 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O=[N+]([O-])c1ccc(Nc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000727757743 574688826 /nfs/dbraw/zinc/68/88/26/574688826.db2.gz YXUOXGKHVXAEHJ-UHFFFAOYSA-N 0 2 325.284 3.432 20 5 EGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000736419021 575955299 /nfs/dbraw/zinc/95/52/99/575955299.db2.gz LKIOCJMVVIGNNZ-UHFFFAOYSA-N 0 2 344.751 3.497 20 5 EGBDLN Cc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000134096266 1293763022 /nfs/dbraw/zinc/76/30/22/1293763022.db2.gz RNQMQLBYVAAXGV-UHFFFAOYSA-N 0 2 342.323 3.291 20 5 EGBDLN COc1cc(Cl)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000775294560 1303935064 /nfs/dbraw/zinc/93/50/64/1303935064.db2.gz DFWLHKKKDIRFCP-UHFFFAOYSA-N 0 2 348.789 3.119 20 5 EGBDLN CC[C@@H](C)CONC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000816979835 1319258218 /nfs/dbraw/zinc/25/82/18/1319258218.db2.gz YEXZLCDIMQVDFK-SECBINFHSA-N 0 2 332.809 3.434 20 5 EGBDLN COc1ccccc1C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC001323348233 1387346353 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303979600 /nfs/dbraw/zinc/97/96/00/303979600.db2.gz BNQWIUQCLRACIG-LBPRGKRZSA-N 0 2 348.742 3.207 20 5 EGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(OC3CCCC3)c2)[nH]1 ZINC000253630339 244042343 /nfs/dbraw/zinc/04/23/43/244042343.db2.gz SGCMMSJWQGPVDL-CMDGGOBGSA-N 0 2 343.339 3.288 20 5 EGBDLN CCc1cnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000178420375 144070781 /nfs/dbraw/zinc/07/07/81/144070781.db2.gz BHUGAPHVGAMRIU-UHFFFAOYSA-N 0 2 341.414 3.031 20 5 EGBDLN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184763514 144098765 /nfs/dbraw/zinc/09/87/65/144098765.db2.gz NMFXIUSXIWAQSF-UHFFFAOYSA-N 0 2 343.364 3.252 20 5 EGBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000185510762 144113799 /nfs/dbraw/zinc/11/37/99/144113799.db2.gz GJEUHSUTQWJECC-LBPRGKRZSA-N 0 2 339.355 3.074 20 5 EGBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000185510785 144114108 /nfs/dbraw/zinc/11/41/08/144114108.db2.gz GJEUHSUTQWJECC-GFCCVEGCSA-N 0 2 339.355 3.074 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2[nH]ccc2c1 ZINC000078677207 302050798 /nfs/dbraw/zinc/05/07/98/302050798.db2.gz ZJEKDOHWILCOBP-UHFFFAOYSA-N 0 2 331.353 3.185 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc(-c2ccccc2)nc1 ZINC000089530862 307449552 /nfs/dbraw/zinc/44/95/52/307449552.db2.gz IKPHZTSVVBASKM-UHFFFAOYSA-N 0 2 336.307 3.010 20 5 EGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000436957113 309783014 /nfs/dbraw/zinc/78/30/14/309783014.db2.gz VUVZTVMVCBNFFJ-HNNXBMFYSA-N 0 2 330.315 3.417 20 5 EGBDLN CCCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436957596 309783049 /nfs/dbraw/zinc/78/30/49/309783049.db2.gz YSTJUZCSTVWQPI-UHFFFAOYSA-N 0 2 344.367 3.157 20 5 EGBDLN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436985480 309784508 /nfs/dbraw/zinc/78/45/08/309784508.db2.gz DFVIPNRLAHGXMM-GFCCVEGCSA-N 0 2 332.278 3.151 20 5 EGBDLN COc1ccc(N(CC2CC2)C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000456179071 310392228 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CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1)C(C)C ZINC000356325347 535413216 /nfs/dbraw/zinc/41/32/16/535413216.db2.gz VTKTZFAEYTXVMC-UHFFFAOYSA-N 0 2 344.371 3.182 20 5 EGBDLN Cc1ccsc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741646597 576708317 /nfs/dbraw/zinc/70/83/17/576708317.db2.gz FZLCVQJGQUYLPU-UHFFFAOYSA-N 0 2 332.790 3.419 20 5 EGBDLN COc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000120182582 1293309088 /nfs/dbraw/zinc/30/90/88/1293309088.db2.gz FYJQPKDBYUIDSX-UHFFFAOYSA-N 0 2 342.760 3.058 20 5 EGBDLN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2nc(C(C)C)ns2)c1F ZINC000874693823 1298039089 /nfs/dbraw/zinc/03/90/89/1298039089.db2.gz SLAHYJZGPSRHJT-UHFFFAOYSA-N 0 2 342.327 3.409 20 5 EGBDLN CC(C)(C(=O)NOCc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000762555224 1301701922 /nfs/dbraw/zinc/70/19/22/1301701922.db2.gz OPJMBMBUVPNZHL-UHFFFAOYSA-N 0 2 332.331 3.260 20 5 EGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H](F)c1ccccc1 ZINC000769651133 1303153570 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O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898415433 1310726684 /nfs/dbraw/zinc/72/66/84/1310726684.db2.gz UJRXKXUZTKOAQT-INIZCTEOSA-N 0 2 339.351 3.063 20 5 EGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001216678422 1373330399 /nfs/dbraw/zinc/33/03/99/1373330399.db2.gz CTDZELVIWIEWNP-UHFFFAOYSA-N 0 2 337.213 3.435 20 5 EGBDLN O=C1CCc2c1cccc2-c1noc(-c2cc(O)ccc2[N+](=O)[O-])n1 ZINC001216678364 1373330576 /nfs/dbraw/zinc/33/05/76/1373330576.db2.gz ADCTWFDEWDEZLH-UHFFFAOYSA-N 0 2 337.291 3.146 20 5 EGBDLN COc1cc(OC)cc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c1 ZINC001216678715 1373330979 /nfs/dbraw/zinc/33/09/79/1373330979.db2.gz RZHDHONPRYAMDB-UHFFFAOYSA-N 0 2 343.295 3.035 20 5 EGBDLN CN(C)c1cccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1 ZINC001216845297 1373350192 /nfs/dbraw/zinc/35/01/92/1373350192.db2.gz IESPLENLAKRUTO-UHFFFAOYSA-N 0 2 326.312 3.083 20 5 EGBDLN COc1cc(Cl)cnc1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216846966 1373351152 /nfs/dbraw/zinc/35/11/52/1373351152.db2.gz INCUMOOMKCJJDF-UHFFFAOYSA-N 0 2 348.702 3.074 20 5 EGBDLN Cc1ccc(-c2nc(-c3cccc(N(C)C)c3)no2)c([N+](=O)[O-])c1O ZINC001216857097 1373352480 /nfs/dbraw/zinc/35/24/80/1373352480.db2.gz YPLFWSOIKUTBRO-UHFFFAOYSA-N 0 2 340.339 3.392 20 5 EGBDLN CCC(=O)[C@@H](CC)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685831 1375639465 /nfs/dbraw/zinc/63/94/65/1375639465.db2.gz ITQHCYYYDWKPDE-CQSZACIVSA-N 0 2 340.383 3.032 20 5 EGBDLN COc1ccc(OC(C)C)c(COc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228972574 1375728002 /nfs/dbraw/zinc/72/80/02/1375728002.db2.gz YYIXBXLKSWMLEV-UHFFFAOYSA-N 0 2 349.339 3.381 20 5 EGBDLN O=C(Nc1nc(-c2ccco2)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076383215 304013619 /nfs/dbraw/zinc/01/36/19/304013619.db2.gz GPTGIKJLPMPUBS-UHFFFAOYSA-N 0 2 331.309 3.269 20 5 EGBDLN CCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005121360 210395102 /nfs/dbraw/zinc/39/51/02/210395102.db2.gz CZCSWDVXPYHCKR-UHFFFAOYSA-N 0 2 336.369 3.184 20 5 EGBDLN CC(C)OCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356292990 141337400 /nfs/dbraw/zinc/33/74/00/141337400.db2.gz KVBJHOGZLAPTDG-UHFFFAOYSA-N 0 2 330.340 3.478 20 5 EGBDLN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCCC2 ZINC000357600609 286275680 /nfs/dbraw/zinc/27/56/80/286275680.db2.gz BCVKXWMAIYYHDW-HZPDHXFCSA-N 0 2 348.399 3.158 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCc2c(O)cccc21 ZINC000190893291 153165460 /nfs/dbraw/zinc/16/54/60/153165460.db2.gz SNFVYBIAWGQSEC-CYBMUJFWSA-N 0 2 328.324 3.065 20 5 EGBDLN Cc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2F)cc1[N+](=O)[O-] ZINC000348852372 156263079 /nfs/dbraw/zinc/26/30/79/156263079.db2.gz LHEWOVYIKHPHRM-SECBINFHSA-N 0 2 336.294 3.378 20 5 EGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)cc(Cl)c2)[nH]1 ZINC000352021831 165195363 /nfs/dbraw/zinc/19/53/63/165195363.db2.gz RLPYBFUMNHPXHU-OWOJBTEDSA-N 0 2 328.111 3.273 20 5 EGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C3CC3)ccn2)c1C ZINC000357530455 166703830 /nfs/dbraw/zinc/70/38/30/166703830.db2.gz JWNDRVIBOVPYED-UHFFFAOYSA-N 0 2 347.396 3.285 20 5 EGBDLN Cc1cccc(C(=O)N2CCOc3c(F)cccc3C2)c1[N+](=O)[O-] ZINC000366749320 168135451 /nfs/dbraw/zinc/13/54/51/168135451.db2.gz OJFWUGLGOWXGPU-UHFFFAOYSA-N 0 2 330.315 3.077 20 5 EGBDLN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000358373050 304499322 /nfs/dbraw/zinc/49/93/22/304499322.db2.gz CHWQYCJHEMWHHI-SNVBAGLBSA-N 0 2 338.319 3.021 20 5 EGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c(Cl)cccc2C1 ZINC000157991836 264844960 /nfs/dbraw/zinc/84/49/60/264844960.db2.gz ICRUCTWHVDEOSD-UHFFFAOYSA-N 0 2 332.743 3.152 20 5 EGBDLN COc1ccc([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000179410708 265374800 /nfs/dbraw/zinc/37/48/00/265374800.db2.gz SUKKGUBUIZGSRN-NSHDSACASA-N 0 2 330.340 3.142 20 5 EGBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)c1ccccc1 ZINC000274696715 267273987 /nfs/dbraw/zinc/27/39/87/267273987.db2.gz SJYDFVSRCBYGGT-ZDUSSCGKSA-N 0 2 344.367 3.150 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(OC(F)(F)F)c1 ZINC000092545941 275154578 /nfs/dbraw/zinc/15/45/78/275154578.db2.gz FKANMGIUDOYKPR-UHFFFAOYSA-N 0 2 342.229 3.451 20 5 EGBDLN COc1cccc([C@H](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000092550003 307465648 /nfs/dbraw/zinc/46/56/48/307465648.db2.gz LLDVDOWBQGUXJK-LLVKDONJSA-N 0 2 330.340 3.441 20 5 EGBDLN C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331525877 308809394 /nfs/dbraw/zinc/80/93/94/308809394.db2.gz KFDIIMQWXYKGTP-LJQANCHMSA-N 0 2 340.379 3.494 20 5 EGBDLN O=C(Nc1ccc(OC(F)F)cc1F)c1ccc([N+](=O)[O-])cc1O ZINC000436664101 309767489 /nfs/dbraw/zinc/76/74/89/309767489.db2.gz KTNWLLDDPPDHBU-UHFFFAOYSA-N 0 2 342.229 3.293 20 5 EGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2ccccc2)C1 ZINC000436850393 309777593 /nfs/dbraw/zinc/77/75/93/309777593.db2.gz GXKYJFKCMHZDBH-CQSZACIVSA-N 0 2 326.352 3.320 20 5 EGBDLN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436969473 309783522 /nfs/dbraw/zinc/78/35/22/309783522.db2.gz YWSZIEQDCWMERF-UHFFFAOYSA-N 0 2 338.323 3.251 20 5 EGBDLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000485101893 310973566 /nfs/dbraw/zinc/97/35/66/310973566.db2.gz PUIGBDCKDBSRCG-UHFFFAOYSA-N 0 2 344.751 3.497 20 5 EGBDLN O=C(NC[C@@H]1SCCc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000489677188 311116310 /nfs/dbraw/zinc/11/63/10/311116310.db2.gz HQJACDIAZNYRCC-INIZCTEOSA-N 0 2 344.392 3.061 20 5 EGBDLN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1cccc(C)c1 ZINC000489740972 311118248 /nfs/dbraw/zinc/11/82/48/311118248.db2.gz GJMGANYVLWOMIG-CQSZACIVSA-N 0 2 344.367 3.196 20 5 EGBDLN COc1ccc(=NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)[nH]n1 ZINC000551084967 315141829 /nfs/dbraw/zinc/14/18/29/315141829.db2.gz KEWYPJIBVHRFPM-UHFFFAOYSA-N 0 2 342.380 3.156 20 5 EGBDLN O=c1oc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)nc2c(F)cccc12 ZINC000555464892 315385457 /nfs/dbraw/zinc/38/54/57/315385457.db2.gz SAHHIBUVTWLINO-FNORWQNLSA-N 0 2 328.255 3.111 20 5 EGBDLN Cn1c(C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000230872166 456140381 /nfs/dbraw/zinc/14/03/81/456140381.db2.gz HRMJBLURQBNOJI-UHFFFAOYSA-N 0 2 330.127 3.198 20 5 EGBDLN Cc1ccc(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000581669500 325381642 /nfs/dbraw/zinc/38/16/42/325381642.db2.gz VEEXLJSOZGZECI-UHFFFAOYSA-N 0 2 341.367 3.380 20 5 EGBDLN O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029716167 453830879 /nfs/dbraw/zinc/83/08/79/453830879.db2.gz PUSJUBNOUUAKDL-GOSISDBHSA-N 0 2 349.346 3.215 20 5 EGBDLN COc1ccc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032586257 453878159 /nfs/dbraw/zinc/87/81/59/453878159.db2.gz MTUBBPZUANDCKR-UHFFFAOYSA-N 0 2 336.369 3.021 20 5 EGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000032588908 453878497 /nfs/dbraw/zinc/87/84/97/453878497.db2.gz OMOOPAQRROVKRF-UHFFFAOYSA-N 0 2 343.364 3.252 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000089531586 454160263 /nfs/dbraw/zinc/16/02/63/454160263.db2.gz QJDSZJNFBBLIFF-UHFFFAOYSA-N 0 2 342.286 3.082 20 5 EGBDLN CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000089531631 454160441 /nfs/dbraw/zinc/16/04/41/454160441.db2.gz BOMHRLQSIDEWTM-UHFFFAOYSA-N 0 2 330.340 3.270 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OCC2CC2)cc1 ZINC000089541123 454161216 /nfs/dbraw/zinc/16/12/16/454161216.db2.gz UEKFCKQTUMHXJT-UHFFFAOYSA-N 0 2 328.324 3.342 20 5 EGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C ZINC000060436842 454290034 /nfs/dbraw/zinc/29/00/34/454290034.db2.gz BFDYHBCNUWNSQU-UHFFFAOYSA-N 0 2 342.323 3.291 20 5 EGBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)sc1C ZINC000091010527 454360979 /nfs/dbraw/zinc/36/09/79/454360979.db2.gz CIZSYOAAGWDADP-UHFFFAOYSA-N 0 2 326.399 3.382 20 5 EGBDLN C[C@H](OCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000073802482 454485321 /nfs/dbraw/zinc/48/53/21/454485321.db2.gz YLPSSQWKRFYMQD-ZDUSSCGKSA-N 0 2 344.367 3.198 20 5 EGBDLN O=C(COc1ccc(F)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547255 454585202 /nfs/dbraw/zinc/58/52/02/454585202.db2.gz WACOOFZJSRNWIB-UHFFFAOYSA-N 0 2 340.694 3.110 20 5 EGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)n1 ZINC000128761223 455081640 /nfs/dbraw/zinc/08/16/40/455081640.db2.gz CUYIISZKWIHZKY-UHFFFAOYSA-N 0 2 341.776 3.061 20 5 EGBDLN COc1ccc([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000157489051 455199283 /nfs/dbraw/zinc/19/92/83/455199283.db2.gz JKWJWMXZUQUDOE-LLVKDONJSA-N 0 2 330.340 3.142 20 5 EGBDLN CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184806925 455451481 /nfs/dbraw/zinc/45/14/81/455451481.db2.gz UEEXUHIXSBVRFX-HNNXBMFYSA-N 0 2 329.356 3.309 20 5 EGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(CCc1ccc(F)cc1)C1CC1 ZINC000272387045 455933866 /nfs/dbraw/zinc/93/38/66/455933866.db2.gz KNKHCAGIIIRLPF-UHFFFAOYSA-N 0 2 344.342 3.287 20 5 EGBDLN Cc1cnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)s1 ZINC000277271519 456753310 /nfs/dbraw/zinc/75/33/10/456753310.db2.gz AOWHEQAMVLJBFB-UHFFFAOYSA-N 0 2 347.396 3.085 20 5 EGBDLN Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000342067583 457089884 /nfs/dbraw/zinc/08/98/84/457089884.db2.gz WAHNXDVOLVVULK-UHFFFAOYSA-N 0 2 343.364 3.252 20 5 EGBDLN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCCC2 ZINC000357600608 457616158 /nfs/dbraw/zinc/61/61/58/457616158.db2.gz BCVKXWMAIYYHDW-HOTGVXAUSA-N 0 2 348.399 3.158 20 5 EGBDLN COc1ccc(C)cc1Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445198003 458024420 /nfs/dbraw/zinc/02/44/20/458024420.db2.gz YWJMQMZHGATGDS-UHFFFAOYSA-N 0 2 341.323 3.258 20 5 EGBDLN C/C(=C/c1ccccc1)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436820248 458387026 /nfs/dbraw/zinc/38/70/26/458387026.db2.gz QLRWBZCIFQPKQC-RAXLEYEMSA-N 0 2 326.352 3.476 20 5 EGBDLN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436986511 458418103 /nfs/dbraw/zinc/41/81/03/458418103.db2.gz GEQUPPRGYYZASY-UWVGGRQHSA-N 0 2 346.305 3.399 20 5 EGBDLN 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COCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](C)c1ccccc1 ZINC000272470083 455960778 /nfs/dbraw/zinc/96/07/78/455960778.db2.gz ZBOWVWRNJHYQNP-ZDUSSCGKSA-N 0 2 344.367 3.150 20 5 EGBDLN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280745410 456043378 /nfs/dbraw/zinc/04/33/78/456043378.db2.gz KCSYFWUKHDEMKR-BDAKNGLRSA-N 0 2 332.278 3.151 20 5 EGBDLN Cc1csc2[nH]c(C=Cc3ccc([N+](=O)[O-])c(O)c3)nc(=O)c12 ZINC000358255023 457891211 /nfs/dbraw/zinc/89/12/11/457891211.db2.gz ZYVFZQZVTPDVHK-HYXAFXHYSA-N 0 2 329.337 3.490 20 5 EGBDLN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000436151638 458260129 /nfs/dbraw/zinc/26/01/29/458260129.db2.gz MJKIWUAAKVRPBV-UHFFFAOYSA-N 0 2 345.380 3.494 20 5 EGBDLN O=C(Nc1nc2c(cccc2Cl)[nH]1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436629161 458347695 /nfs/dbraw/zinc/34/76/95/458347695.db2.gz JMNBXFODLMHOKO-UHFFFAOYSA-N 0 2 332.703 3.082 20 5 EGBDLN Cc1ccn(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)n1 ZINC000436733187 458369510 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Cc1cc2nc3nc(=O)[nH]c(O[C@H](C)c4ccncc4)c3nc2cc1C ZINC001228686328 1375639681 /nfs/dbraw/zinc/63/96/81/1375639681.db2.gz NNVIKZUUVRWISH-GFCCVEGCSA-N 0 2 347.378 3.430 20 5 EGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(F)c1 ZINC000032765605 212838128 /nfs/dbraw/zinc/83/81/28/212838128.db2.gz VCKVYEWPVGKUJT-UHFFFAOYSA-N 0 2 330.724 3.188 20 5 EGBDLN O=C(COc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000021028164 212202340 /nfs/dbraw/zinc/20/23/40/212202340.db2.gz DKXFAKHEGSLOBK-UHFFFAOYSA-N 0 2 338.319 3.471 20 5 EGBDLN CCc1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000350730795 141263938 /nfs/dbraw/zinc/26/39/38/141263938.db2.gz WANXCILCIRKZFO-UHFFFAOYSA-N 0 2 347.805 3.068 20 5 EGBDLN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349155598 156368541 /nfs/dbraw/zinc/36/85/41/156368541.db2.gz WBVXVLYRAKDHSO-SCOADAFUSA-N 0 2 326.400 3.221 20 5 EGBDLN CC(C)COc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000352013035 165192034 /nfs/dbraw/zinc/19/20/34/165192034.db2.gz GHRZBYRPKIRMJD-VOTSOKGWSA-N 0 2 331.328 3.001 20 5 EGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2nc(-c3ccccc3)cs2)[nH]1 ZINC000352020003 165195138 /nfs/dbraw/zinc/19/51/38/165195138.db2.gz FGHBKDCPYOWYFA-VOTSOKGWSA-N 0 2 342.336 3.090 20 5 EGBDLN COc1ccc(-c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc2)cc1Cl ZINC000366380192 168113427 /nfs/dbraw/zinc/11/34/27/168113427.db2.gz UQSHUBWZKRATKQ-DGCLKSJQSA-N 0 2 347.758 3.014 20 5 EGBDLN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)C)cc1 ZINC000176291580 265168529 /nfs/dbraw/zinc/16/85/29/265168529.db2.gz BDEKGRSHLUKHEH-QGZVFWFLSA-N 0 2 344.367 3.436 20 5 EGBDLN CCC(CC)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)on1 ZINC000179518029 265381018 /nfs/dbraw/zinc/38/10/18/265381018.db2.gz WCZUDDITDFFEAT-UHFFFAOYSA-N 0 2 333.344 3.122 20 5 EGBDLN COc1ccc(CCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000181913745 265413757 /nfs/dbraw/zinc/41/37/57/265413757.db2.gz HVRFDKCFYFWQOG-UHFFFAOYSA-N 0 2 344.367 3.014 20 5 EGBDLN O=C(Nc1ccc(-c2cnco2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000184674289 265472402 /nfs/dbraw/zinc/47/24/02/265472402.db2.gz LRMOHAHJHDMXHS-UHFFFAOYSA-N 0 2 325.280 3.208 20 5 EGBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)c1ccccc1 ZINC000274696714 267274247 /nfs/dbraw/zinc/27/42/47/267274247.db2.gz SJYDFVSRCBYGGT-CYBMUJFWSA-N 0 2 344.367 3.150 20 5 EGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000005260181 275116929 /nfs/dbraw/zinc/11/69/29/275116929.db2.gz PTMJHNIPXAXVST-UHFFFAOYSA-N 0 2 343.364 3.252 20 5 EGBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1c(F)cccc1F ZINC000091054405 307462240 /nfs/dbraw/zinc/46/22/40/307462240.db2.gz LPGBMGAVSFJMAJ-UHFFFAOYSA-N 0 2 342.323 3.291 20 5 EGBDLN CCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000493150919 311334858 /nfs/dbraw/zinc/33/48/58/311334858.db2.gz JJAMHJXVLDYZDH-UHFFFAOYSA-N 0 2 341.414 3.031 20 5 EGBDLN CCOC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000494399034 311475131 /nfs/dbraw/zinc/47/51/31/311475131.db2.gz JBSGQTNEOYIRSM-UHFFFAOYSA-N 0 2 345.311 3.121 20 5 EGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3cc[nH]c32)c1C ZINC000548478222 315015094 /nfs/dbraw/zinc/01/50/94/315015094.db2.gz DKYBKVYQXAHHEQ-UHFFFAOYSA-N 0 2 345.380 3.494 20 5 EGBDLN Cc1cc(F)ccc1Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000577345226 324788953 /nfs/dbraw/zinc/78/89/53/324788953.db2.gz CZNMJAOGUAOYRX-UHFFFAOYSA-N 0 2 329.287 3.389 20 5 EGBDLN O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000577771800 324864376 /nfs/dbraw/zinc/86/43/76/324864376.db2.gz NCJRIXLTXIGUDJ-BXKDBHETSA-N 0 2 346.305 3.399 20 5 EGBDLN Cc1cccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000183132620 455236065 /nfs/dbraw/zinc/23/60/65/455236065.db2.gz OPYMWPAYTYJSIQ-UHFFFAOYSA-N 0 2 343.364 3.252 20 5 EGBDLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(O)c1 ZINC000001603359 452669503 /nfs/dbraw/zinc/66/95/03/452669503.db2.gz ZZEBIGYPJWIJSS-UHFFFAOYSA-N 0 2 342.760 3.063 20 5 EGBDLN CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000060690274 454310857 /nfs/dbraw/zinc/31/08/57/454310857.db2.gz JQDWZWPGQARHSU-UHFFFAOYSA-N 0 2 343.339 3.210 20 5 EGBDLN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000063335888 454406965 /nfs/dbraw/zinc/40/69/65/454406965.db2.gz JMHIUBVYEGLBPO-UHFFFAOYSA-N 0 2 349.730 3.165 20 5 EGBDLN C[C@@H](OCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000073802484 454485635 /nfs/dbraw/zinc/48/56/35/454485635.db2.gz YLPSSQWKRFYMQD-CYBMUJFWSA-N 0 2 344.367 3.198 20 5 EGBDLN CCOCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCC1 ZINC000134302432 454525727 /nfs/dbraw/zinc/52/57/27/454525727.db2.gz YMCRATHRGAPYDR-UHFFFAOYSA-N 0 2 336.388 3.017 20 5 EGBDLN O=C(Nc1cccc(-c2ncco2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000154167147 454870870 /nfs/dbraw/zinc/87/08/70/454870870.db2.gz ABRFKOATEYXBGN-UHFFFAOYSA-N 0 2 325.280 3.208 20 5 EGBDLN CCCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000127337220 454955052 /nfs/dbraw/zinc/95/50/52/454955052.db2.gz SZIRTOJIBIWJLI-UHFFFAOYSA-N 0 2 341.414 3.113 20 5 EGBDLN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185776126 455619807 /nfs/dbraw/zinc/61/98/07/455619807.db2.gz PQCFNUVGGYSIFB-UHFFFAOYSA-N 0 2 330.325 3.004 20 5 EGBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)c2c(O)cccc21 ZINC000186256086 455726676 /nfs/dbraw/zinc/72/66/76/455726676.db2.gz LQGLMVUWKRZIAX-JTQLQIEISA-N 0 2 328.324 3.160 20 5 EGBDLN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280745417 456043165 /nfs/dbraw/zinc/04/31/65/456043165.db2.gz KCSYFWUKHDEMKR-IUCAKERBSA-N 0 2 332.278 3.151 20 5 EGBDLN Cc1ccc(F)cc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189227082 456259536 /nfs/dbraw/zinc/25/95/36/456259536.db2.gz MNDJKHRWVNZOFL-UHFFFAOYSA-N 0 2 338.360 3.460 20 5 EGBDLN CC1(C)COc2c1cccc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000447529591 458305401 /nfs/dbraw/zinc/30/54/01/458305401.db2.gz LXHHQKKGESXVRP-UHFFFAOYSA-N 0 2 328.324 3.223 20 5 EGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000436957114 458413702 /nfs/dbraw/zinc/41/37/02/458413702.db2.gz VUVZTVMVCBNFFJ-OAHLLOKOSA-N 0 2 330.315 3.417 20 5 EGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000436976825 458416237 /nfs/dbraw/zinc/41/62/37/458416237.db2.gz ATYXAMXLOZJMAY-OAHLLOKOSA-N 0 2 340.379 3.395 20 5 EGBDLN CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(Cl)c1 ZINC000436977110 458417295 /nfs/dbraw/zinc/41/72/95/458417295.db2.gz DMIXJRXHXMWVIJ-UHFFFAOYSA-N 0 2 349.730 3.165 20 5 EGBDLN O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000437002170 458421861 /nfs/dbraw/zinc/42/18/61/458421861.db2.gz GBBVBOLGADBHGM-AULYBMBSSA-N 0 2 330.315 3.116 20 5 EGBDLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(F)cc1[N+](=O)[O-] ZINC000590597519 459158349 /nfs/dbraw/zinc/15/83/49/459158349.db2.gz JXPGLSTWBASUFT-UHFFFAOYSA-N 0 2 344.751 3.497 20 5 EGBDLN C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000542790772 459594116 /nfs/dbraw/zinc/59/41/16/459594116.db2.gz AQNGCMSUKZAIMJ-JTQLQIEISA-N 0 2 330.315 3.199 20 5 EGBDLN CC1(C)COc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000584207781 459680488 /nfs/dbraw/zinc/68/04/88/459680488.db2.gz BKPLUCFFZAETOR-UHFFFAOYSA-N 0 2 328.324 3.223 20 5 EGBDLN O=c1[nH]c(C(Cl)=Cc2ccc([N+](=O)[O-])c(O)c2)nc2ccccc12 ZINC000748147564 1298936044 /nfs/dbraw/zinc/93/60/44/1298936044.db2.gz HOHIAZYZJCGQHS-YRNVUSSQSA-N 0 2 343.726 3.274 20 5 EGBDLN CCOC(=O)/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ncccc1C ZINC000794949657 1309629837 /nfs/dbraw/zinc/62/98/37/1309629837.db2.gz OTCLVFVGOGCQFR-UVTDQMKNSA-N 0 2 328.324 3.108 20 5 EGBDLN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000805254908 1317334044 /nfs/dbraw/zinc/33/40/44/1317334044.db2.gz FWOAYOSNYSYHQQ-UHFFFAOYSA-N 0 2 340.694 3.354 20 5 EGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CCc2c(Cl)cccc2Cl)no1 ZINC000842494286 1321396026 /nfs/dbraw/zinc/39/60/26/1321396026.db2.gz UARDTHWFBSIRQN-LDYMZIIASA-N 0 2 328.155 3.294 20 5 EGBDLN CC(=O)c1ccc(F)c(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c1 ZINC001216678369 1373330488 /nfs/dbraw/zinc/33/04/88/1373330488.db2.gz AHOULCGECOZGMB-UHFFFAOYSA-N 0 2 343.270 3.359 20 5 EGBDLN COc1cc(F)ccc1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216845594 1373350899 /nfs/dbraw/zinc/35/08/99/1373350899.db2.gz XAEYYQXXCJTVID-UHFFFAOYSA-N 0 2 331.259 3.165 20 5 EGBDLN C[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC001593288410 994654819 /nfs/dbraw/zinc/65/48/19/994654819.db2.gz IVALFGMDJRKCTI-VIFPVBQESA-N 0 2 336.294 3.422 20 5 EGBDLN Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119237967 221274807 /nfs/dbraw/zinc/27/48/07/221274807.db2.gz FAKUNFFNIAYEAB-UHFFFAOYSA-N 0 2 344.371 3.334 20 5 EGBDLN O=C(Nc1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000172163364 144016114 /nfs/dbraw/zinc/01/61/14/144016114.db2.gz DNRKQOQHJKYKKS-UHFFFAOYSA-N 0 2 328.324 3.342 20 5 EGBDLN Cc1nc(NS(=O)(=O)c2ccc(CC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000361607730 144337442 /nfs/dbraw/zinc/33/74/42/144337442.db2.gz PZAVHSQPYJFFLN-UHFFFAOYSA-N 0 2 349.412 3.298 20 5 EGBDLN Cc1cc(NS(=O)(=O)c2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000093930610 162034121 /nfs/dbraw/zinc/03/41/21/162034121.db2.gz QNUXNHTWVYKJLJ-UHFFFAOYSA-N 0 2 343.364 3.252 20 5 EGBDLN Cc1cc2cc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2[nH]1 ZINC000344014198 164083200 /nfs/dbraw/zinc/08/32/00/164083200.db2.gz KOSRBRUDTJPUNO-UHFFFAOYSA-N 0 2 325.324 3.020 20 5 EGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(F)c(C(F)(F)F)c2)[nH]1 ZINC000352029539 165198505 /nfs/dbraw/zinc/19/85/05/165198505.db2.gz ZZSAJLJTUJBFKS-DUXPYHPUSA-N 0 2 345.208 3.124 20 5 EGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000355855937 166329100 /nfs/dbraw/zinc/32/91/00/166329100.db2.gz KNRCGZZGABFUJM-UHFFFAOYSA-N 0 2 330.724 3.188 20 5 EGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(Cc2ccccc2)c1 ZINC000359370687 167138992 /nfs/dbraw/zinc/13/89/92/167138992.db2.gz ZSPQBELSVODUFD-UHFFFAOYSA-N 0 2 337.335 3.403 20 5 EGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000367745149 168265743 /nfs/dbraw/zinc/26/57/43/168265743.db2.gz CSHPVHUEURHTIH-KRWDZBQOSA-N 0 2 348.305 3.150 20 5 EGBDLN COc1ccc(CNc2nc(C3CCCC3)ns2)cc1[N+](=O)[O-] ZINC000420580715 309289322 /nfs/dbraw/zinc/28/93/22/309289322.db2.gz CXKNJNIWKZYMFP-UHFFFAOYSA-N 0 2 334.401 3.147 20 5 EGBDLN CCN(CCOc1ccccc1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000421971840 309348704 /nfs/dbraw/zinc/34/87/04/309348704.db2.gz RZLUHOVPAJKOKS-UHFFFAOYSA-N 0 2 344.367 3.150 20 5 EGBDLN CC(C)Cn1ncc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C1CC1 ZINC000436743439 309771589 /nfs/dbraw/zinc/77/15/89/309771589.db2.gz YDMQERZDJOYFIC-UHFFFAOYSA-N 0 2 344.371 3.283 20 5 EGBDLN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2n1 ZINC000487041822 311008145 /nfs/dbraw/zinc/00/81/45/311008145.db2.gz XHMCIQDLSRRBDR-UHFFFAOYSA-N 0 2 337.335 3.085 20 5 EGBDLN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000535822011 314077956 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