smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(Cl)o1 ZINC000800150273 1125473988 /nfs/dbraw/zinc/47/39/88/1125473988.db2.gz JGJYKWCWQUCTBL-UHFFFAOYSA-N -1 1 298.657 3.541 20 5 CHBDMM O=[N+]([O-])c1ccc(-c2nc(C3CCCCCCC3)no2)[n-]1 ZINC000762361872 1128293617 /nfs/dbraw/zinc/29/36/17/1128293617.db2.gz HKKYFDOLZPCRTA-UHFFFAOYSA-N -1 1 290.323 3.801 20 5 CHBDMM CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000341176971 1120243652 /nfs/dbraw/zinc/24/36/52/1120243652.db2.gz SKPJDQLOKSZFTC-UWVGGRQHSA-N -1 1 290.323 3.657 20 5 CHBDMM O=[N+]([O-])c1ccc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001175737207 1121442925 /nfs/dbraw/zinc/44/29/25/1121442925.db2.gz WTCVTYLSPDAYFB-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM O=C(c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1)C1CC1 ZINC001201232526 1123079659 /nfs/dbraw/zinc/07/96/59/1123079659.db2.gz QZOKBHXCTJWILD-UHFFFAOYSA-N -1 1 298.298 3.637 20 5 CHBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339065080 1123905170 /nfs/dbraw/zinc/90/51/70/1123905170.db2.gz GIPAJQHJRBHQFW-HNNXBMFYSA-N -1 1 286.331 3.541 20 5 CHBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC001229396754 1132061319 /nfs/dbraw/zinc/06/13/19/1132061319.db2.gz YSKWNPOYKBSWCZ-QMMMGPOBSA-N -1 1 295.241 3.719 20 5 CHBDMM CCCC(=O)[C@H](CCC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229749889 1132114821 /nfs/dbraw/zinc/11/48/21/1132114821.db2.gz INZWKONZPPEMIZ-AWEZNQCLSA-N -1 1 295.335 3.526 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001229749431 1132114866 /nfs/dbraw/zinc/11/48/66/1132114866.db2.gz AKLCNQNTVWFBGX-JTQLQIEISA-N -1 1 291.278 3.888 20 5 CHBDMM Cc1ccc(Nc2cc(F)c([O-])cc2F)c([N+](=O)[O-])c1 ZINC001214174255 1134516659 /nfs/dbraw/zinc/51/66/59/1134516659.db2.gz NKQIWPUEGUJYJE-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM CCCc1cc([N-]c2c(F)ccc([N+](=O)[O-])c2F)on1 ZINC001215285748 1134614838 /nfs/dbraw/zinc/61/48/38/1134614838.db2.gz XUTMLWPQOABVSV-UHFFFAOYSA-N -1 1 283.234 3.557 20 5 CHBDMM C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC001229395784 1132061282 /nfs/dbraw/zinc/06/12/82/1132061282.db2.gz MACJAOKWJVZBME-CKYFFXLPSA-N -1 1 265.309 3.504 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CCC=CCCC2)cc1[N+](=O)[O-] ZINC001229749797 1132114394 /nfs/dbraw/zinc/11/43/94/1132114394.db2.gz HLWOYBUYQLJXRE-GFCCVEGCSA-N -1 1 277.320 3.877 20 5 CHBDMM O=[N+]([O-])c1cc2nc(OC3CCCCC3)[n-]c2cc1Cl ZINC001233497655 1132628584 /nfs/dbraw/zinc/62/85/84/1132628584.db2.gz HBFWSGJGNYSDMB-UHFFFAOYSA-N -1 1 295.726 3.836 20 5 CHBDMM O=[N+]([O-])c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001204457074 1133450511 /nfs/dbraw/zinc/45/05/11/1133450511.db2.gz RCHVPPREPKFSSW-UHFFFAOYSA-N -1 1 264.668 3.697 20 5 CHBDMM O=[N+]([O-])c1cc(F)ccc1Nc1cccc([O-])c1Cl ZINC001210953597 1118431441 /nfs/dbraw/zinc/43/14/41/1118431441.db2.gz MEPWNOAEKYOACZ-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000343475936 1119430596 /nfs/dbraw/zinc/43/05/96/1119430596.db2.gz MQFGLDGVPZXMNW-LBPRGKRZSA-N -1 1 292.360 3.603 20 5 CHBDMM Cc1ccc2c(c1)CC[C@H]2Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751159 1132114398 /nfs/dbraw/zinc/11/43/98/1132114398.db2.gz RGWRYLURVVEVSI-MRXNPFEDSA-N -1 1 299.326 3.984 20 5 CHBDMM Cc1ccc2c(c1)[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])CC2 ZINC001229749930 1132114874 /nfs/dbraw/zinc/11/48/74/1132114874.db2.gz IPYSAYJXGAQDSU-INIZCTEOSA-N -1 1 299.326 3.984 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CCC=CCCC2)cc1[N+](=O)[O-] ZINC001229749800 1132115074 /nfs/dbraw/zinc/11/50/74/1132115074.db2.gz HLWOYBUYQLJXRE-LBPRGKRZSA-N -1 1 277.320 3.877 20 5 CHBDMM Cc1ccc(Nc2c([O-])cc(F)cc2F)c([N+](=O)[O-])c1 ZINC001214172043 1134516395 /nfs/dbraw/zinc/51/63/95/1134516395.db2.gz PXWIZQRLFWEAAW-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM CC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC001229395526 1132061909 /nfs/dbraw/zinc/06/19/09/1132061909.db2.gz JEODCWBUCDUERA-CQSZACIVSA-N -1 1 291.278 3.970 20 5 CHBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC001229396010 1132062153 /nfs/dbraw/zinc/06/21/53/1132062153.db2.gz OWLKYRDRAJSBPT-SECBINFHSA-N -1 1 277.251 3.580 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H](c2ccccc2)C2CC2)c1 ZINC001229397025 1132062359 /nfs/dbraw/zinc/06/23/59/1132062359.db2.gz DAOMKQKQLGGQOL-INIZCTEOSA-N -1 1 285.299 3.831 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001229749515 1132115127 /nfs/dbraw/zinc/11/51/27/1132115127.db2.gz BTVCNQMXNHKPEU-QIMFLAQGSA-N -1 1 277.320 3.566 20 5 CHBDMM CC(C)Cc1cc([N-]c2c(F)ccc([N+](=O)[O-])c2F)on1 ZINC001215285453 1134614597 /nfs/dbraw/zinc/61/45/97/1134614597.db2.gz MSUHTXKLRAPQBA-UHFFFAOYSA-N -1 1 297.261 3.803 20 5 CHBDMM CC(C)(C)c1nsc([N-]c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC001216480771 1134903499 /nfs/dbraw/zinc/90/34/99/1134903499.db2.gz LJHGDLAZSRAQJS-UHFFFAOYSA-N -1 1 296.327 3.627 20 5 CHBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000343475920 1119430271 /nfs/dbraw/zinc/43/02/71/1119430271.db2.gz MQFGLDGVPZXMNW-GFCCVEGCSA-N -1 1 292.360 3.603 20 5 CHBDMM CCCC[C@@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394974 1132061645 /nfs/dbraw/zinc/06/16/45/1132061645.db2.gz DBWVEJLACTTWOH-LLVKDONJSA-N -1 1 253.298 3.648 20 5 CHBDMM C[C@@H]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])[C@@H]1C ZINC001229396340 1132062061 /nfs/dbraw/zinc/06/20/61/1132062061.db2.gz SEVHLEURAPQWBW-BREBYQMCSA-N -1 1 265.309 3.504 20 5 CHBDMM Cc1cccc2c1CC[C@@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397505 1132062272 /nfs/dbraw/zinc/06/22/72/1132062272.db2.gz JIHXSPZSUJRAJU-HNNXBMFYSA-N -1 1 285.299 3.675 20 5 CHBDMM CC[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC001229395968 1132062812 /nfs/dbraw/zinc/06/28/12/1132062812.db2.gz ODZFIASRCONPSM-LBPRGKRZSA-N -1 1 253.298 3.504 20 5 CHBDMM CCOC(=O)c1ccsc1[N-]c1ccccc1[N+](=O)[O-] ZINC001206139927 1133662724 /nfs/dbraw/zinc/66/27/24/1133662724.db2.gz BROBQTVTWMUYOA-UHFFFAOYSA-N -1 1 292.316 3.577 20 5 CHBDMM Cc1ccc2nc(Nc3ccc([O-])c([N+](=O)[O-])c3)ccc2c1 ZINC001210392582 1134207995 /nfs/dbraw/zinc/20/79/95/1134207995.db2.gz HDTCOJAILUOTBG-UHFFFAOYSA-N -1 1 295.298 3.901 20 5 CHBDMM O=[N+]([O-])c1cc(F)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001216483706 1134904418 /nfs/dbraw/zinc/90/44/18/1134904418.db2.gz HYCQLMLNZKRODD-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM CCC[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC001229394969 1132060403 /nfs/dbraw/zinc/06/04/03/1132060403.db2.gz CVNAIUNTYAUBQX-LBPRGKRZSA-N -1 1 253.298 3.504 20 5 CHBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC001229397016 1132062167 /nfs/dbraw/zinc/06/21/67/1132062167.db2.gz CYIHWOWXXBGLCW-QMMMGPOBSA-N -1 1 295.241 3.719 20 5 CHBDMM CC(C)C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC001229396711 1132062253 /nfs/dbraw/zinc/06/22/53/1132062253.db2.gz XBPLOTPHFFIOBH-CYBMUJFWSA-N -1 1 267.325 3.750 20 5 CHBDMM CCCC/C=C/[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394863 1132062528 /nfs/dbraw/zinc/06/25/28/1132062528.db2.gz CKFFNPKCFQJHTK-MLRMMBSGSA-N -1 1 265.309 3.814 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3cc(F)ccc32)c1 ZINC001229396676 1132062596 /nfs/dbraw/zinc/06/25/96/1132062596.db2.gz WDAMCKROTULEKC-CQSZACIVSA-N -1 1 289.262 3.506 20 5 CHBDMM C[C@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C1CC1 ZINC001229515805 1132079875 /nfs/dbraw/zinc/07/98/75/1132079875.db2.gz GUTIERPXPAYOKB-JTQLQIEISA-N -1 1 296.322 3.829 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001229751143 1132114374 /nfs/dbraw/zinc/11/43/74/1132114374.db2.gz RFDOACJDRITEBZ-OAHLLOKOSA-N -1 1 285.299 3.675 20 5 CHBDMM Cc1cc([O-])c(O[C@H](C)CCC(C)C)cc1[N+](=O)[O-] ZINC001229749392 1132114735 /nfs/dbraw/zinc/11/47/35/1132114735.db2.gz AEAUHKTYRHZWNG-LLVKDONJSA-N -1 1 267.325 3.812 20 5 CHBDMM C[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497841 1132628879 /nfs/dbraw/zinc/62/88/79/1132628879.db2.gz IMNUQQBWVXTOTD-JGVFFNPUSA-N -1 1 295.726 3.692 20 5 CHBDMM Cc1ccc(Nc2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001213672556 1134477279 /nfs/dbraw/zinc/47/72/79/1134477279.db2.gz KONJGYSPPBQVSB-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM CC(C)c1cc([N-]c2c(F)ccc([N+](=O)[O-])c2F)on1 ZINC001215284959 1134614004 /nfs/dbraw/zinc/61/40/04/1134614004.db2.gz DFBYBCYMKRXCOL-UHFFFAOYSA-N -1 1 283.234 3.728 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC001229751604 1132114708 /nfs/dbraw/zinc/11/47/08/1132114708.db2.gz WJKZJDKSKBTNAU-NSHDSACASA-N -1 1 293.241 3.575 20 5 CHBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC001229396753 1132061330 /nfs/dbraw/zinc/06/13/30/1132061330.db2.gz YSKWNPOYKBSWCZ-MRVPVSSYSA-N -1 1 295.241 3.719 20 5 CHBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC001229397967 1132061680 /nfs/dbraw/zinc/06/16/80/1132061680.db2.gz OWLKYRDRAJSBPT-VIFPVBQESA-N -1 1 277.251 3.580 20 5 CHBDMM Cc1cc([O-])c(O[C@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC001229749928 1132114306 /nfs/dbraw/zinc/11/43/06/1132114306.db2.gz IPOXHENOILCULX-SNVBAGLBSA-N -1 1 291.278 3.888 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001229749514 1132114537 /nfs/dbraw/zinc/11/45/37/1132114537.db2.gz BTVCNQMXNHKPEU-MGULZYLOSA-N -1 1 277.320 3.566 20 5 CHBDMM Cc1cc([O-])c(O[C@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001229751620 1132115046 /nfs/dbraw/zinc/11/50/46/1132115046.db2.gz WVYGOADXVQBKSY-SNVBAGLBSA-N -1 1 291.278 3.888 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001229751578 1132115157 /nfs/dbraw/zinc/11/51/57/1132115157.db2.gz VXFHVAQOBXGRSV-MWLCHTKSSA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1[N+](=O)[O-] ZINC001213672418 1134477045 /nfs/dbraw/zinc/47/70/45/1134477045.db2.gz DBDPZPJEYIHGEY-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM CCC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC001229394968 1132060826 /nfs/dbraw/zinc/06/08/26/1132060826.db2.gz CVNAIUNTYAUBQX-GFCCVEGCSA-N -1 1 253.298 3.504 20 5 CHBDMM CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000341176973 1120243734 /nfs/dbraw/zinc/24/37/34/1120243734.db2.gz SKPJDQLOKSZFTC-ZJUUUORDSA-N -1 1 290.323 3.657 20 5 CHBDMM O=[N+]([O-])c1ccc(F)c([N-]c2nc3ccc(F)cc3o2)c1 ZINC001175735603 1121441460 /nfs/dbraw/zinc/44/14/60/1121441460.db2.gz XSVFNVQEQVRZTF-UHFFFAOYSA-N -1 1 291.213 3.758 20 5 CHBDMM O=[N+]([O-])/C=C/c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001175906189 1121495804 /nfs/dbraw/zinc/49/58/04/1121495804.db2.gz IDLNCOYQHWAMGR-BQYQJAHWSA-N -1 1 292.241 3.661 20 5 CHBDMM Cc1cccc([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229396721 1132062741 /nfs/dbraw/zinc/06/27/41/1132062741.db2.gz XHAYTZJRORVNBP-NSHDSACASA-N -1 1 273.288 3.749 20 5 CHBDMM CC[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)(C)C ZINC001229750733 1132114787 /nfs/dbraw/zinc/11/47/87/1132114787.db2.gz QXHHETARVHMQTC-ZDUSSCGKSA-N -1 1 267.325 3.812 20 5 CHBDMM Cc1cc([O-])c(OC2CCCCCC2)cc1[N+](=O)[O-] ZINC001229751259 1132114914 /nfs/dbraw/zinc/11/49/14/1132114914.db2.gz VAFHXMDYBCPURS-UHFFFAOYSA-N -1 1 265.309 3.710 20 5 CHBDMM Cc1ccc2c(c1)CC[C@@H]2Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751155 1132114926 /nfs/dbraw/zinc/11/49/26/1132114926.db2.gz RGWRYLURVVEVSI-INIZCTEOSA-N -1 1 299.326 3.984 20 5 CHBDMM CC[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231260757 1132277035 /nfs/dbraw/zinc/27/70/35/1132277035.db2.gz WOMKTUHCYIODHB-CYBMUJFWSA-N -1 1 288.303 3.534 20 5 CHBDMM CC(C)(C)c1nnc([N-]c2cccc([N+](=O)[O-])c2F)s1 ZINC001210378522 1134203726 /nfs/dbraw/zinc/20/37/26/1134203726.db2.gz ISIPVQPDWQWTCX-UHFFFAOYSA-N -1 1 296.327 3.627 20 5 CHBDMM CC1(C)CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000339800873 1117978087 /nfs/dbraw/zinc/97/80/87/1117978087.db2.gz KZLDTJOFSQTMSC-SECBINFHSA-N -1 1 290.323 3.657 20 5 CHBDMM Cc1cccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)n1 ZINC000340099933 1119141291 /nfs/dbraw/zinc/14/12/91/1119141291.db2.gz YGJBTDKSWPGQTL-UHFFFAOYSA-N -1 1 287.322 3.859 20 5 CHBDMM CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000604034084 1120228330 /nfs/dbraw/zinc/22/83/30/1120228330.db2.gz VTTLMKUUKVFTPY-UHFFFAOYSA-N -1 1 287.319 3.518 20 5 CHBDMM C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC001229395786 1132061813 /nfs/dbraw/zinc/06/18/13/1132061813.db2.gz MACJAOKWJVZBME-JFGNBEQYSA-N -1 1 265.309 3.504 20 5 CHBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CCCC3)ccc21 ZINC001229513677 1132078639 /nfs/dbraw/zinc/07/86/39/1132078639.db2.gz AGPDUSNPFPAFLJ-UHFFFAOYSA-N -1 1 296.322 3.973 20 5 CHBDMM CC[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229516987 1132079986 /nfs/dbraw/zinc/07/99/86/1132079986.db2.gz LVKQJROCISIZTI-SNVBAGLBSA-N -1 1 284.311 3.829 20 5 CHBDMM C[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497844 1132628566 /nfs/dbraw/zinc/62/85/66/1132628566.db2.gz IMNUQQBWVXTOTD-YUMQZZPRSA-N -1 1 295.726 3.692 20 5 CHBDMM O=[N+]([O-])c1ccc([N-]c2snnc2-c2ccccc2)cc1 ZINC001174477017 1132881869 /nfs/dbraw/zinc/88/18/69/1132881869.db2.gz HWUPHESVIBCEBL-UHFFFAOYSA-N -1 1 298.327 3.857 20 5 CHBDMM O=[N+]([O-])c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001204457039 1133450037 /nfs/dbraw/zinc/45/00/37/1133450037.db2.gz QTUSXKAPQPPURD-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1[N+](=O)[O-] ZINC001213670487 1134476907 /nfs/dbraw/zinc/47/69/07/1134476907.db2.gz XQISNDNTJCQNKU-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM O=[N+]([O-])c1cc(F)cc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001216483876 1134904291 /nfs/dbraw/zinc/90/42/91/1134904291.db2.gz RALGSJRZGCCZTR-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM CC1(C)CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000339800874 1117977896 /nfs/dbraw/zinc/97/78/96/1117977896.db2.gz KZLDTJOFSQTMSC-VIFPVBQESA-N -1 1 290.323 3.657 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccccc1)C1CC1 ZINC000339075745 1124096268 /nfs/dbraw/zinc/09/62/68/1124096268.db2.gz SXBQSLSVWBAAAA-QGZVFWFLSA-N -1 1 298.342 3.541 20 5 CHBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC001229395435 1132061996 /nfs/dbraw/zinc/06/19/96/1132061996.db2.gz ASCXNQVUTLIJHE-MRVPVSSYSA-N -1 1 265.290 3.502 20 5 CHBDMM Cc1ccccc1[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396007 1132062028 /nfs/dbraw/zinc/06/20/28/1132062028.db2.gz OVDOHVFKARLCFG-LLVKDONJSA-N -1 1 273.288 3.749 20 5 CHBDMM C[C@H](CCc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396440 1132062682 /nfs/dbraw/zinc/06/26/82/1132062682.db2.gz UFLKUQNVHRGRMO-GFCCVEGCSA-N -1 1 287.315 3.701 20 5 CHBDMM Cc1ccc2c(c1)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC001229397903 1132062755 /nfs/dbraw/zinc/06/27/55/1132062755.db2.gz OCBQKTWMYRQCSO-HNNXBMFYSA-N -1 1 285.299 3.675 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCCc3ccccc32)c1 ZINC001229398702 1132063667 /nfs/dbraw/zinc/06/36/67/1132063667.db2.gz YQYFNZZNOAQZNK-HNNXBMFYSA-N -1 1 285.299 3.757 20 5 CHBDMM Cc1cccc2c1CC[C@H]2Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751191 1132114291 /nfs/dbraw/zinc/11/42/91/1132114291.db2.gz RXWAIORTDLODNE-MRXNPFEDSA-N -1 1 299.326 3.984 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001229751576 1132114410 /nfs/dbraw/zinc/11/44/10/1132114410.db2.gz VXFHVAQOBXGRSV-KOLCDFICSA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001229751619 1132114605 /nfs/dbraw/zinc/11/46/05/1132114605.db2.gz WVYGOADXVQBKSY-JTQLQIEISA-N -1 1 291.278 3.888 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC001229749617 1132114673 /nfs/dbraw/zinc/11/46/73/1132114673.db2.gz FZDRUCNLMGROMC-VIFPVBQESA-N -1 1 279.317 3.810 20 5 CHBDMM Cc1cc([O-])c(O[C@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC001229754896 1132115462 /nfs/dbraw/zinc/11/54/62/1132115462.db2.gz UMQGQCBKCRQVBK-SNVBAGLBSA-N -1 1 265.309 3.566 20 5 CHBDMM CC(C)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210392737 1134208203 /nfs/dbraw/zinc/20/82/03/1134208203.db2.gz IUCUIEGMZQPQTL-UHFFFAOYSA-N -1 1 273.292 3.562 20 5 CHBDMM CC[C@H]1CCCC[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395903 1125553836 /nfs/dbraw/zinc/55/38/36/1125553836.db2.gz NHJPYXVSCOGVIK-GXFFZTMASA-N -1 1 265.309 3.648 20 5 CHBDMM CC[C@H]1CCCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000341176972 1120244791 /nfs/dbraw/zinc/24/47/91/1120244791.db2.gz SKPJDQLOKSZFTC-VHSXEESVSA-N -1 1 290.323 3.657 20 5 CHBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001201222807 1123080187 /nfs/dbraw/zinc/08/01/87/1123080187.db2.gz SFFRCXSZUBBRLA-UHFFFAOYSA-N -1 1 298.657 3.542 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCCCCCC2)c1 ZINC001229394959 1132061148 /nfs/dbraw/zinc/06/11/48/1132061148.db2.gz CQZWZODPRMKUOV-UHFFFAOYSA-N -1 1 265.309 3.792 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCC=CCCC2)c1 ZINC001229396121 1132061219 /nfs/dbraw/zinc/06/12/19/1132061219.db2.gz QBDYHEAVHYJIKF-GFCCVEGCSA-N -1 1 263.293 3.568 20 5 CHBDMM Cc1cccc2c1CC[C@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397511 1132062612 /nfs/dbraw/zinc/06/26/12/1132062612.db2.gz JIHXSPZSUJRAJU-OAHLLOKOSA-N -1 1 285.299 3.675 20 5 CHBDMM Cc1cccc2c1CC[C@@H]2Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751190 1132114627 /nfs/dbraw/zinc/11/46/27/1132114627.db2.gz RXWAIORTDLODNE-INIZCTEOSA-N -1 1 299.326 3.984 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)CCC(C)C)cc1[N+](=O)[O-] ZINC001229749393 1132114811 /nfs/dbraw/zinc/11/48/11/1132114811.db2.gz AEAUHKTYRHZWNG-NSHDSACASA-N -1 1 267.325 3.812 20 5 CHBDMM CCC[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)C ZINC001229750433 1132114999 /nfs/dbraw/zinc/11/49/99/1132114999.db2.gz NMGZTHJQPDOAAU-ZDUSSCGKSA-N -1 1 267.325 3.812 20 5 CHBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cc(F)c(F)cc1[O-] ZINC001211289433 1134404745 /nfs/dbraw/zinc/40/47/45/1134404745.db2.gz BPGQMNDEBJDLLK-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM Cc1cnc([N-]c2c(Cl)ccc([N+](=O)[O-])c2Cl)o1 ZINC001215581030 1134647696 /nfs/dbraw/zinc/64/76/96/1134647696.db2.gz IZWZBXXNIJDQLS-UHFFFAOYSA-N -1 1 288.090 3.942 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001229751634 1132115115 /nfs/dbraw/zinc/11/51/15/1132115115.db2.gz WYKPKKODLTUNJF-TVQRCGJNSA-N -1 1 265.309 3.566 20 5 CHBDMM C[C@H](C1CC1)n1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000614523177 1122868260 /nfs/dbraw/zinc/86/82/60/1122868260.db2.gz LZYGXHSMYPZZCZ-MRVPVSSYSA-N -1 1 278.337 3.567 20 5 CHBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC001229398664 1132063293 /nfs/dbraw/zinc/06/32/93/1132063293.db2.gz XUWSHICWBJDQKX-VIFPVBQESA-N -1 1 277.251 3.580 20 5 CHBDMM CCC[C@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750156 1132114755 /nfs/dbraw/zinc/11/47/55/1132114755.db2.gz KUFUOVXNTZVYPQ-JTQLQIEISA-N -1 1 253.298 3.566 20 5 CHBDMM Cc1cc([O-])c(O[C@H](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001229749779 1132115053 /nfs/dbraw/zinc/11/50/53/1132115053.db2.gz HISWYIFGIDIGDU-GFCCVEGCSA-N -1 1 287.315 3.619 20 5 CHBDMM C[C@@H]1CC(Oc2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)C1 ZINC001229395361 1132061949 /nfs/dbraw/zinc/06/19/49/1132061949.db2.gz HLIFPBUWIHNEHY-UWVGGRQHSA-N -1 1 265.309 3.504 20 5 CHBDMM CC(C)CC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396128 1132061967 /nfs/dbraw/zinc/06/19/67/1132061967.db2.gz QDHPTCMHDCWUQB-JTQLQIEISA-N -1 1 253.298 3.504 20 5 CHBDMM Cc1ccc2nc(-c3ccc(C)c([N+](=O)[O-])c3)[n-]c(=O)c2c1 ZINC000486437616 1126982882 /nfs/dbraw/zinc/98/28/82/1126982882.db2.gz OEQBWMXQNWHJPF-UHFFFAOYSA-N -1 1 295.298 3.527 20 5 CHBDMM Cc1cccc2c1[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC001229397480 1132062232 /nfs/dbraw/zinc/06/22/32/1132062232.db2.gz IOLASMZEYKITIQ-AWEZNQCLSA-N -1 1 285.299 3.675 20 5 CHBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC001229396689 1132062832 /nfs/dbraw/zinc/06/28/32/1132062832.db2.gz WOKZNIRMADEDHJ-VIFPVBQESA-N -1 1 277.251 3.580 20 5 CHBDMM CC(C)=CCC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396348 1132062847 /nfs/dbraw/zinc/06/28/47/1132062847.db2.gz SFYPBTPTFUOASC-LLVKDONJSA-N -1 1 265.309 3.814 20 5 CHBDMM CCCCC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398272 1132063488 /nfs/dbraw/zinc/06/34/88/1132063488.db2.gz SKFXTLPBMNQWAT-SNVBAGLBSA-N -1 1 253.298 3.648 20 5 CHBDMM CCCCC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398271 1132064497 /nfs/dbraw/zinc/06/44/97/1132064497.db2.gz SKFXTLPBMNQWAT-JTQLQIEISA-N -1 1 253.298 3.648 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001229751633 1132114743 /nfs/dbraw/zinc/11/47/43/1132114743.db2.gz WYKPKKODLTUNJF-RNCFNFMXSA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001229753392 1132115497 /nfs/dbraw/zinc/11/54/97/1132115497.db2.gz IIHZUGJNTHTDGJ-AWEZNQCLSA-N -1 1 299.326 3.545 20 5 CHBDMM CCC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233497701 1132629399 /nfs/dbraw/zinc/62/93/99/1132629399.db2.gz HFPBQUHYZHZKJY-ZETCQYMHSA-N -1 1 283.715 3.692 20 5 CHBDMM O=[N+]([O-])c1ccccc1[N-]c1nc2c(cccc2O)s1 ZINC001206140596 1133663179 /nfs/dbraw/zinc/66/31/79/1133663179.db2.gz ZMJUZXFCIOVFGC-UHFFFAOYSA-N -1 1 287.300 3.654 20 5 CHBDMM O=[N+]([O-])c1cc(Nc2ccc(Cl)cc2[S-])ccc1O ZINC001210398602 1134209387 /nfs/dbraw/zinc/20/93/87/1134209387.db2.gz MUYSOEOFVQSXRY-UHFFFAOYSA-N -1 1 296.735 3.986 20 5 CHBDMM Cc1ccc(Nc2cc(F)c([O-])cc2F)cc1[N+](=O)[O-] ZINC001213670048 1134477039 /nfs/dbraw/zinc/47/70/39/1134477039.db2.gz FWMRUZSQNOWCGA-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000341176970 1120242532 /nfs/dbraw/zinc/24/25/32/1120242532.db2.gz SKPJDQLOKSZFTC-NXEZZACHSA-N -1 1 290.323 3.657 20 5 CHBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC001229395429 1132061352 /nfs/dbraw/zinc/06/13/52/1132061352.db2.gz ILEVUFRERFDQRI-MRVPVSSYSA-N -1 1 295.241 3.719 20 5 CHBDMM CCC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC001229394749 1132062043 /nfs/dbraw/zinc/06/20/43/1132062043.db2.gz BQDVFPSTVHIIOH-CYBMUJFWSA-N -1 1 267.325 3.894 20 5 CHBDMM C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC001229395785 1132062121 /nfs/dbraw/zinc/06/21/21/1132062121.db2.gz MACJAOKWJVZBME-FOGDFJRCSA-N -1 1 265.309 3.504 20 5 CHBDMM CCC[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)C ZINC001229750429 1132114494 /nfs/dbraw/zinc/11/44/94/1132114494.db2.gz NMGZTHJQPDOAAU-CYBMUJFWSA-N -1 1 267.325 3.812 20 5 CHBDMM CCCC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750408 1132114773 /nfs/dbraw/zinc/11/47/73/1132114773.db2.gz NHHDPWASYFGGLV-JTQLQIEISA-N -1 1 253.298 3.566 20 5 CHBDMM O=[N+]([O-])c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174479777 1132883946 /nfs/dbraw/zinc/88/39/46/1132883946.db2.gz KNURQUXDRLHNIR-UHFFFAOYSA-N -1 1 264.668 3.697 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001229751635 1132114351 /nfs/dbraw/zinc/11/43/51/1132114351.db2.gz WYKPKKODLTUNJF-ZANVPECISA-N -1 1 265.309 3.566 20 5 CHBDMM CC[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)(C)C ZINC001229750732 1132114420 /nfs/dbraw/zinc/11/44/20/1132114420.db2.gz QXHHETARVHMQTC-CYBMUJFWSA-N -1 1 267.325 3.812 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001229751575 1132114515 /nfs/dbraw/zinc/11/45/15/1132114515.db2.gz VXFHVAQOBXGRSV-GXSJLCMTSA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000267338588 1126997924 /nfs/dbraw/zinc/99/79/24/1126997924.db2.gz SHRADEZSOHDSJU-UHFFFAOYSA-N -1 1 287.319 3.607 20 5 CHBDMM Cc1oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2c1C ZINC000358712331 1127432071 /nfs/dbraw/zinc/43/20/71/1127432071.db2.gz KBUYJQZEOAJTPN-UHFFFAOYSA-N -1 1 299.286 3.538 20 5 CHBDMM O=[N+]([O-])c1ccc(F)c(Nc2ccc([O-])c(Cl)c2)c1 ZINC001175738264 1121442916 /nfs/dbraw/zinc/44/29/16/1121442916.db2.gz FTSGWAJIAGHUAL-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM CC/C=C(\C)[C@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229399416 1132064091 /nfs/dbraw/zinc/06/40/91/1132064091.db2.gz KCOCEANEJIOJPJ-PPOCWRSBSA-N -1 1 265.309 3.814 20 5 CHBDMM C[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C1CC1 ZINC001229515806 1132080840 /nfs/dbraw/zinc/08/08/40/1132080840.db2.gz GUTIERPXPAYOKB-SNVBAGLBSA-N -1 1 296.322 3.829 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001229751579 1132114473 /nfs/dbraw/zinc/11/44/73/1132114473.db2.gz VXFHVAQOBXGRSV-ONGXEEELSA-N -1 1 265.309 3.566 20 5 CHBDMM CC(=O)c1oc2cccnc2c1[N-]c1ccccc1[N+](=O)[O-] ZINC001206150138 1133664498 /nfs/dbraw/zinc/66/44/98/1133664498.db2.gz FFXQGVJZURPQCH-UHFFFAOYSA-N -1 1 297.270 3.682 20 5 CHBDMM CCC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225665012 1135605582 /nfs/dbraw/zinc/60/55/82/1135605582.db2.gz XAPTXOAZNDJZSV-CYBMUJFWSA-N -1 1 288.303 3.616 20 5 CHBDMM COc1ccc(Nc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001176363675 1121613892 /nfs/dbraw/zinc/61/38/92/1121613892.db2.gz ROMFDJVECDEZSG-UHFFFAOYSA-N -1 1 294.694 3.706 20 5 CHBDMM CCC(=O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229059 1123078661 /nfs/dbraw/zinc/07/86/61/1123078661.db2.gz AXBOPGCBHXAEIS-UHFFFAOYSA-N -1 1 286.287 3.637 20 5 CHBDMM CC(C)C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC001229396712 1132061298 /nfs/dbraw/zinc/06/12/98/1132061298.db2.gz XBPLOTPHFFIOBH-ZDUSSCGKSA-N -1 1 267.325 3.750 20 5 CHBDMM CC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229397227 1132061544 /nfs/dbraw/zinc/06/15/44/1132061544.db2.gz DTVWIOZFZNUQRQ-CQSZACIVSA-N -1 1 273.288 3.831 20 5 CHBDMM CCC[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC001229394751 1132061875 /nfs/dbraw/zinc/06/18/75/1132061875.db2.gz BQDVFPSTVHIIOH-ZDUSSCGKSA-N -1 1 267.325 3.894 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3cc(F)ccc32)c1 ZINC001229396674 1132061893 /nfs/dbraw/zinc/06/18/93/1132061893.db2.gz WDAMCKROTULEKC-AWEZNQCLSA-N -1 1 289.262 3.506 20 5 CHBDMM CC[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229396833 1132062078 /nfs/dbraw/zinc/06/20/78/1132062078.db2.gz ZJKQEUHSTWQWOM-UMSPYCQHSA-N -1 1 265.309 3.648 20 5 CHBDMM Cc1ccccc1[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396008 1132062200 /nfs/dbraw/zinc/06/22/00/1132062200.db2.gz OVDOHVFKARLCFG-NSHDSACASA-N -1 1 273.288 3.749 20 5 CHBDMM Cc1cccc2c1[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC001229397481 1132062422 /nfs/dbraw/zinc/06/24/22/1132062422.db2.gz IOLASMZEYKITIQ-CQSZACIVSA-N -1 1 285.299 3.675 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001229751197 1132114384 /nfs/dbraw/zinc/11/43/84/1132114384.db2.gz SBEFTSIUJNURJS-NSHDSACASA-N -1 1 273.288 3.749 20 5 CHBDMM CCC[C@@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750157 1132115086 /nfs/dbraw/zinc/11/50/86/1132115086.db2.gz KUFUOVXNTZVYPQ-SNVBAGLBSA-N -1 1 253.298 3.566 20 5 CHBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C1CCC1 ZINC001233497321 1132628736 /nfs/dbraw/zinc/62/87/36/1132628736.db2.gz GLSUIZLCJJYWLE-ZETCQYMHSA-N -1 1 295.726 3.692 20 5 CHBDMM O=[N+]([O-])c1cccc(Nc2ccc([O-])c(Cl)c2)c1F ZINC001210384159 1134204300 /nfs/dbraw/zinc/20/43/00/1134204300.db2.gz HSQOJQSRIFTGDR-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM Cc1cccc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)nc12 ZINC001210392122 1134207315 /nfs/dbraw/zinc/20/73/15/1134207315.db2.gz BMGZUUMEISROQO-UHFFFAOYSA-N -1 1 295.298 3.901 20 5 CHBDMM COc1ccc([N+](=O)[O-])cc1Nc1cccc(Cl)c1[O-] ZINC001210446534 1134216279 /nfs/dbraw/zinc/21/62/79/1134216279.db2.gz KSJUDQBEGWZUFJ-UHFFFAOYSA-N -1 1 294.694 3.706 20 5 CHBDMM Cc1ccc([N-]c2snc3cccnc32)c([N+](=O)[O-])c1 ZINC001214169294 1134515493 /nfs/dbraw/zinc/51/54/93/1134515493.db2.gz FVKUMMKPOHPHBC-UHFFFAOYSA-N -1 1 286.316 3.652 20 5 CHBDMM CC(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000546933611 334056049 /nfs/dbraw/zinc/05/60/49/334056049.db2.gz PJKTXLRQAZTEGJ-UHFFFAOYSA-N -1 1 298.302 3.763 20 5 CHBDMM CC1(C)CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394643 1125553381 /nfs/dbraw/zinc/55/33/81/1125553381.db2.gz AMAAEZTUXWKBKZ-NSHDSACASA-N -1 1 265.309 3.648 20 5 CHBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cc([O-])c(F)c(F)c1 ZINC001211290217 1118498013 /nfs/dbraw/zinc/49/80/13/1118498013.db2.gz TZWCHGLRHMUTMU-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM O=[N+]([O-])/C=C/c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001175902750 1121494637 /nfs/dbraw/zinc/49/46/37/1121494637.db2.gz HGSUPUFKJSWPMF-AATRIKPKSA-N -1 1 292.241 3.661 20 5 CHBDMM C[C@@H](C1CC1)n1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000614523178 1122868908 /nfs/dbraw/zinc/86/89/08/1122868908.db2.gz LZYGXHSMYPZZCZ-QMMMGPOBSA-N -1 1 278.337 3.567 20 5 CHBDMM C[C@@H]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC001229396343 1132062343 /nfs/dbraw/zinc/06/23/43/1132062343.db2.gz SEVHLEURAPQWBW-NRUUGDAUSA-N -1 1 265.309 3.504 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001229751140 1132114587 /nfs/dbraw/zinc/11/45/87/1132114587.db2.gz RFDOACJDRITEBZ-HNNXBMFYSA-N -1 1 285.299 3.675 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001229753393 1132115503 /nfs/dbraw/zinc/11/55/03/1132115503.db2.gz IIHZUGJNTHTDGJ-CQSZACIVSA-N -1 1 299.326 3.545 20 5 CHBDMM C[C@H]1CCC[C@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233501169 1132628676 /nfs/dbraw/zinc/62/86/76/1132628676.db2.gz XENMOJZNQGWIAS-JVXZTZIISA-N -1 1 295.726 3.692 20 5 CHBDMM C[C@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233501170 1132629050 /nfs/dbraw/zinc/62/90/50/1132629050.db2.gz XENMOJZNQGWIAS-MADCSZMMSA-N -1 1 295.726 3.692 20 5 CHBDMM COc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])c(Cl)c1 ZINC001210446141 1134215902 /nfs/dbraw/zinc/21/59/02/1134215902.db2.gz FTFBRXROUISKKM-UHFFFAOYSA-N -1 1 294.694 3.706 20 5 CHBDMM C[C@@H](CCc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396441 1132062140 /nfs/dbraw/zinc/06/21/40/1132062140.db2.gz UFLKUQNVHRGRMO-LBPRGKRZSA-N -1 1 287.315 3.701 20 5 CHBDMM O=[N+]([O-])c1cc(Nc2csc3ncccc23)ccc1[O-] ZINC001210392544 1134207831 /nfs/dbraw/zinc/20/78/31/1134207831.db2.gz GBNGZCQWPCGTCH-UHFFFAOYSA-N -1 1 287.300 3.654 20 5 CHBDMM O=[N+]([O-])c1cc(Nc2ccc([O-])c(Cl)c2)ccc1F ZINC001211192963 1134388107 /nfs/dbraw/zinc/38/81/07/1134388107.db2.gz CGMOMJLPKHVXMK-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM CC/C=C(\C)[C@@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229399415 1132063016 /nfs/dbraw/zinc/06/30/16/1132063016.db2.gz KCOCEANEJIOJPJ-BCRSCGJKSA-N -1 1 265.309 3.814 20 5 CHBDMM Cc1ccc([N+](=O)[O-])cc1Nc1c(F)cc([O-])cc1F ZINC001211290188 1118498299 /nfs/dbraw/zinc/49/82/99/1118498299.db2.gz RRNNMRLKYWXODN-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC001229395787 1132062455 /nfs/dbraw/zinc/06/24/55/1132062455.db2.gz MACJAOKWJVZBME-SCVCMEIPSA-N -1 1 265.309 3.504 20 5 CHBDMM Cc1ccc2c(c1)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])CC2 ZINC001229749934 1132114684 /nfs/dbraw/zinc/11/46/84/1132114684.db2.gz IPYSAYJXGAQDSU-MRXNPFEDSA-N -1 1 299.326 3.984 20 5 CHBDMM Cc1cccc2c1[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])CC2 ZINC001229749470 1132114973 /nfs/dbraw/zinc/11/49/73/1132114973.db2.gz AWCQMDNERFIENZ-HNNXBMFYSA-N -1 1 299.326 3.984 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001229749781 1132115134 /nfs/dbraw/zinc/11/51/34/1132115134.db2.gz HISWYIFGIDIGDU-LBPRGKRZSA-N -1 1 287.315 3.619 20 5 CHBDMM O=[N+]([O-])c1cc2nc(O[C@@H]3C=CCCC3)[n-]c2cc1Cl ZINC001233497715 1132629166 /nfs/dbraw/zinc/62/91/66/1132629166.db2.gz HKOPYPZPKUJMOR-MRVPVSSYSA-N -1 1 293.710 3.612 20 5 CHBDMM CCC(CC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498226 1132629559 /nfs/dbraw/zinc/62/95/59/1132629559.db2.gz KPXAHIFSELSBGN-UHFFFAOYSA-N -1 1 283.715 3.692 20 5 CHBDMM Cc1ccnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000601052285 1128693125 /nfs/dbraw/zinc/69/31/25/1128693125.db2.gz LZLAGGORUDNIFO-UHFFFAOYSA-N -1 1 287.322 3.859 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccccc1)C1CC1 ZINC000339075744 1119092168 /nfs/dbraw/zinc/09/21/68/1119092168.db2.gz SXBQSLSVWBAAAA-KRWDZBQOSA-N -1 1 298.342 3.541 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCCc3ccccc32)c1 ZINC001229396751 1132062715 /nfs/dbraw/zinc/06/27/15/1132062715.db2.gz YQYFNZZNOAQZNK-OAHLLOKOSA-N -1 1 285.299 3.757 20 5 CHBDMM Cc1cc([O-])c(OC(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC001229749475 1132114900 /nfs/dbraw/zinc/11/49/00/1132114900.db2.gz AZAJHPRFRCTDJM-UHFFFAOYSA-N -1 1 267.325 3.668 20 5 CHBDMM CC(C)=CCC[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231264746 1132276929 /nfs/dbraw/zinc/27/69/29/1132276929.db2.gz UNVKPDNLSWWAQI-LLVKDONJSA-N -1 1 280.324 3.518 20 5 CHBDMM CC(C)[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233499739 1132629385 /nfs/dbraw/zinc/62/93/85/1132629385.db2.gz PTDKAABLRXJEQF-ZETCQYMHSA-N -1 1 283.715 3.548 20 5 CHBDMM CCC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233497685 1132629602 /nfs/dbraw/zinc/62/96/02/1132629602.db2.gz HFPBQUHYZHZKJY-SSDOTTSWSA-N -1 1 283.715 3.692 20 5 CHBDMM CCC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225665013 1135605506 /nfs/dbraw/zinc/60/55/06/1135605506.db2.gz XAPTXOAZNDJZSV-ZDUSSCGKSA-N -1 1 288.303 3.616 20 5 CHBDMM O=[N+]([O-])c1cc(Nc2cccc(Cl)c2[O-])ccc1F ZINC001211192890 1118476717 /nfs/dbraw/zinc/47/67/17/1118476717.db2.gz SVGHYVVHAXTARW-UHFFFAOYSA-N -1 1 282.658 3.837 20 5 CHBDMM O=C1CCCc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c21 ZINC001201229157 1123078519 /nfs/dbraw/zinc/07/85/19/1123078519.db2.gz FRAMDBPQGNSBIW-UHFFFAOYSA-N -1 1 298.298 3.563 20 5 CHBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339065081 1123905426 /nfs/dbraw/zinc/90/54/26/1123905426.db2.gz GIPAJQHJRBHQFW-OAHLLOKOSA-N -1 1 286.331 3.541 20 5 CHBDMM CCCC(CCC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396029 1132062579 /nfs/dbraw/zinc/06/25/79/1132062579.db2.gz PFFWGSNYWUSMFQ-UHFFFAOYSA-N -1 1 253.298 3.648 20 5 CHBDMM CC1(C)CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229398196 1132062788 /nfs/dbraw/zinc/06/27/88/1132062788.db2.gz RFNGKAZNKBZTGQ-UHFFFAOYSA-N -1 1 265.309 3.648 20 5 CHBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CCC3)ccc21 ZINC001229519155 1132079639 /nfs/dbraw/zinc/07/96/39/1132079639.db2.gz YWPSBLHXOVZLIA-UHFFFAOYSA-N -1 1 282.295 3.583 20 5 CHBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3C=CCC3)ccc12 ZINC001229518094 1132079889 /nfs/dbraw/zinc/07/98/89/1132079889.db2.gz QUMPBKAMCDPNSZ-LBPRGKRZSA-N -1 1 294.306 3.749 20 5 CHBDMM Cc1cc([O-])c(O[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC001229749615 1132114932 /nfs/dbraw/zinc/11/49/32/1132114932.db2.gz FZDRUCNLMGROMC-SECBINFHSA-N -1 1 279.317 3.810 20 5 CHBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cc(F)c([O-])cc1F ZINC001211289478 1134404757 /nfs/dbraw/zinc/40/47/57/1134404757.db2.gz DXENJAKVHPTTKZ-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM O=[N+]([O-])c1ccc(/C=C\c2ccc([O-])c(Cl)c2)nc1 ZINC000439511168 1122785988 /nfs/dbraw/zinc/78/59/88/1122785988.db2.gz IKIGNXQDSLRIGG-IWQZZHSRSA-N -1 1 276.679 3.519 20 5 CHBDMM C[C@@H]1CC[C@@H](C)[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395136 1132062011 /nfs/dbraw/zinc/06/20/11/1132062011.db2.gz FLYSIBBGFQGIJD-GIPNMCIBSA-N -1 1 265.309 3.504 20 5 CHBDMM O=[N+]([O-])c1cc2nc(O[C@H]3C=CCCC3)[n-]c2cc1Cl ZINC001233497717 1132629107 /nfs/dbraw/zinc/62/91/07/1132629107.db2.gz HKOPYPZPKUJMOR-QMMMGPOBSA-N -1 1 293.710 3.612 20 5 CHBDMM CC(C)[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233499736 1132629640 /nfs/dbraw/zinc/62/96/40/1132629640.db2.gz PTDKAABLRXJEQF-SSDOTTSWSA-N -1 1 283.715 3.548 20 5 CHBDMM O=[N+]([O-])c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001204406657 1133442847 /nfs/dbraw/zinc/44/28/47/1133442847.db2.gz GPFNXSURXXYUOG-UHFFFAOYSA-N -1 1 287.300 3.654 20 5 CHBDMM CCCC[C@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394975 1125552498 /nfs/dbraw/zinc/55/24/98/1125552498.db2.gz DBWVEJLACTTWOH-NSHDSACASA-N -1 1 253.298 3.648 20 5 CHBDMM CCC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223559 1123080735 /nfs/dbraw/zinc/08/07/35/1123080735.db2.gz AQQYODZSWIEQTD-UHFFFAOYSA-N -1 1 286.287 3.637 20 5 CHBDMM CC(=O)c1ccc(C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224104 1123081536 /nfs/dbraw/zinc/08/15/36/1123081536.db2.gz IHRVBOKHRQIQSY-UHFFFAOYSA-N -1 1 286.287 3.555 20 5 CHBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC001229396734 1132061187 /nfs/dbraw/zinc/06/11/87/1132061187.db2.gz XUWSHICWBJDQKX-SECBINFHSA-N -1 1 277.251 3.580 20 5 CHBDMM Cc1ccc2c(c1)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC001229397905 1132061666 /nfs/dbraw/zinc/06/16/66/1132061666.db2.gz OCBQKTWMYRQCSO-OAHLLOKOSA-N -1 1 285.299 3.675 20 5 CHBDMM C[C@@H]1CCC[C@H](C)[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395970 1132061781 /nfs/dbraw/zinc/06/17/81/1132061781.db2.gz OGAWDMJVEJFERE-MSRIBSCDSA-N -1 1 265.309 3.504 20 5 CHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H](c2ccccc2)C2CC2)c1 ZINC001229397027 1132062650 /nfs/dbraw/zinc/06/26/50/1132062650.db2.gz DAOMKQKQLGGQOL-MRXNPFEDSA-N -1 1 285.299 3.831 20 5 CHBDMM CC[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229516986 1132080203 /nfs/dbraw/zinc/08/02/03/1132080203.db2.gz LVKQJROCISIZTI-JTQLQIEISA-N -1 1 284.311 3.829 20 5 CHBDMM Cc1cc([O-])c(OC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC001229751599 1132114942 /nfs/dbraw/zinc/11/49/42/1132114942.db2.gz WIAVUDGWYVGKHC-UHFFFAOYSA-N -1 1 287.262 3.566 20 5 CHBDMM C[C@@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497842 1132629005 /nfs/dbraw/zinc/62/90/05/1132629005.db2.gz IMNUQQBWVXTOTD-SFYZADRCSA-N -1 1 295.726 3.692 20 5 CHBDMM C[C@@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497839 1132629229 /nfs/dbraw/zinc/62/92/29/1132629229.db2.gz IMNUQQBWVXTOTD-HTQZYQBOSA-N -1 1 295.726 3.692 20 5 CHBDMM O=[N+]([O-])c1ccc(F)c([N-]c2cc(C3CCC3)no2)c1F ZINC001215284919 1134613923 /nfs/dbraw/zinc/61/39/23/1134613923.db2.gz BISRDDUYRRTMFF-UHFFFAOYSA-N -1 1 295.245 3.872 20 5 CHBDMM O=[N+]([O-])/C=C/c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001175906995 1121495947 /nfs/dbraw/zinc/49/59/47/1121495947.db2.gz OPYOQGXHWRUHBU-AATRIKPKSA-N -1 1 292.241 3.661 20 5 CHBDMM O=C1CCCc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201229755 1123079139 /nfs/dbraw/zinc/07/91/39/1123079139.db2.gz QZOMAKWAGDZNCI-UHFFFAOYSA-N -1 1 298.298 3.563 20 5 CHBDMM C[C@H]1CCC[C@H](C)C1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395973 1132061253 /nfs/dbraw/zinc/06/12/53/1132061253.db2.gz OGAWDMJVEJFERE-UWVGGRQHSA-N -1 1 265.309 3.504 20 5 CHBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC001229397015 1132061695 /nfs/dbraw/zinc/06/16/95/1132061695.db2.gz CYIHWOWXXBGLCW-MRVPVSSYSA-N -1 1 295.241 3.719 20 5 CHBDMM C[C@@H]1CC[C@H](C)[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395139 1132061770 /nfs/dbraw/zinc/06/17/70/1132061770.db2.gz FLYSIBBGFQGIJD-NRUUGDAUSA-N -1 1 265.309 3.504 20 5 CHBDMM CCC1CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229396830 1132062304 /nfs/dbraw/zinc/06/23/04/1132062304.db2.gz ZJKQEUHSTWQWOM-UHFFFAOYSA-N -1 1 265.309 3.648 20 5 CHBDMM CC(C)=CCC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396349 1132062370 /nfs/dbraw/zinc/06/23/70/1132062370.db2.gz SFYPBTPTFUOASC-NSHDSACASA-N -1 1 265.309 3.814 20 5 CHBDMM Cc1ccc2nc([N-]c3ccc([N+](=O)[O-])nc3)sc2c1 ZINC001203559976 1133340698 /nfs/dbraw/zinc/34/06/98/1133340698.db2.gz CYVDRUSFDUSCET-UHFFFAOYSA-N -1 1 286.316 3.652 20 5 CHBDMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])c([N+](=O)[O-])c1 ZINC001214173921 1134516201 /nfs/dbraw/zinc/51/62/01/1134516201.db2.gz 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20 5 CHBDMM Cc1ccc2sc([N-]c3ccc([N+](=O)[O-])nc3)nc2c1 ZINC001203560426 1133340942 /nfs/dbraw/zinc/34/09/42/1133340942.db2.gz LMHBEWSMAXTUMF-UHFFFAOYSA-N -1 1 286.316 3.652 20 5 CHBDMM Cc1ccc(Nc2cc(F)c(F)cc2[O-])cc1[N+](=O)[O-] ZINC001213670521 1134477103 /nfs/dbraw/zinc/47/71/03/1134477103.db2.gz YUDKRBFVCPSDGF-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC001229395439 1132061799 /nfs/dbraw/zinc/06/17/99/1132061799.db2.gz ASCXNQVUTLIJHE-QMMMGPOBSA-N -1 1 265.290 3.502 20 5 CHBDMM CC(C)CC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396129 1125554867 /nfs/dbraw/zinc/55/48/67/1125554867.db2.gz QDHPTCMHDCWUQB-SNVBAGLBSA-N -1 1 253.298 3.504 20 5 CHBDMM CC[C@H]1CCCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395894 1125554910 /nfs/dbraw/zinc/55/49/10/1125554910.db2.gz NHJPYXVSCOGVIK-GWCFXTLKSA-N -1 1 265.309 3.648 20 5 CHBDMM CC(=O)c1cc(C)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201233072 1123080091 /nfs/dbraw/zinc/08/00/91/1123080091.db2.gz 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ZINC001211290407 1134404721 /nfs/dbraw/zinc/40/47/21/1134404721.db2.gz DNBNZXDOUIJQRB-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM Cc1ccc([N+](=O)[O-])cc1-c1nc2cccc(C)c2c(=O)[n-]1 ZINC000603918903 1127682682 /nfs/dbraw/zinc/68/26/82/1127682682.db2.gz ZOJMODHXRMDSNK-UHFFFAOYSA-N -1 1 295.298 3.527 20 5 CHBDMM COc1ccc(Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001176364116 1121615316 /nfs/dbraw/zinc/61/53/16/1121615316.db2.gz ZGVXZTDIOPOZIL-UHFFFAOYSA-N -1 1 294.694 3.706 20 5 CHBDMM C[C@@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])[C@@H]1C ZINC001229396342 1132061600 /nfs/dbraw/zinc/06/16/00/1132061600.db2.gz SEVHLEURAPQWBW-GIPNMCIBSA-N -1 1 265.309 3.504 20 5 CHBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CC=CC3)ccc12 ZINC001229515743 1132079680 /nfs/dbraw/zinc/07/96/80/1132079680.db2.gz FFPOQSYHAKDECQ-UHFFFAOYSA-N -1 1 294.306 3.749 20 5 CHBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3C=CCC3)ccc12 ZINC001229518093 1132080368 /nfs/dbraw/zinc/08/03/68/1132080368.db2.gz QUMPBKAMCDPNSZ-GFCCVEGCSA-N -1 1 294.306 3.749 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC001229749924 1132114653 /nfs/dbraw/zinc/11/46/53/1132114653.db2.gz IPOXHENOILCULX-JTQLQIEISA-N -1 1 291.278 3.888 20 5 CHBDMM Cc1cc([O-])c(O[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001229751631 1132115008 /nfs/dbraw/zinc/11/50/08/1132115008.db2.gz WYKPKKODLTUNJF-NOZJJQNGSA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1cc([O-])c(O[C@@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC001229754893 1132115859 /nfs/dbraw/zinc/11/58/59/1132115859.db2.gz UMQGQCBKCRQVBK-JTQLQIEISA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])c(F)c1F ZINC001211288584 1134403945 /nfs/dbraw/zinc/40/39/45/1134403945.db2.gz ZAPLILQEHODKAM-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM Cc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000486433556 331937059 /nfs/dbraw/zinc/93/70/59/331937059.db2.gz OARZFUPMHDAGNO-UHFFFAOYSA-N -1 1 295.298 3.527 20 5 CHBDMM Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1[N+](=O)[O-] ZINC001213667042 1119285975 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O=[N+]([O-])c1cc(Nc2cc3ccccc3cn2)ccc1[O-] ZINC001210392514 1134207801 /nfs/dbraw/zinc/20/78/01/1134207801.db2.gz FSYYQIXYUMFRSB-UHFFFAOYSA-N -1 1 281.271 3.592 20 5 CHBDMM CC[C@@H]1CCCC[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395915 1125554733 /nfs/dbraw/zinc/55/47/33/1125554733.db2.gz NHJPYXVSCOGVIK-ZWNOBZJWSA-N -1 1 265.309 3.648 20 5 CHBDMM CC1(C)CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394642 1132061378 /nfs/dbraw/zinc/06/13/78/1132061378.db2.gz AMAAEZTUXWKBKZ-LLVKDONJSA-N -1 1 265.309 3.648 20 5 CHBDMM C[C@@H]1CC[C@H](C)[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395135 1132062553 /nfs/dbraw/zinc/06/25/53/1132062553.db2.gz FLYSIBBGFQGIJD-GBIKHYSHSA-N -1 1 265.309 3.504 20 5 CHBDMM Nc1nonc1[N-]c1ccc2cc3ccccc3cc2c1 ZINC001205262086 1133551887 /nfs/dbraw/zinc/55/18/87/1133551887.db2.gz TWHSYXBKPJHOCG-UHFFFAOYSA-N -1 1 276.299 3.702 20 5 CHBDMM Cc1ccc(Nc2cc([O-])c(F)cc2F)c([N+](=O)[O-])c1 ZINC001214171258 1134515512 /nfs/dbraw/zinc/51/55/12/1134515512.db2.gz 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C[C@@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC001229396341 1132062179 /nfs/dbraw/zinc/06/21/79/1132062179.db2.gz SEVHLEURAPQWBW-GBIKHYSHSA-N -1 1 265.309 3.504 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CC[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC001229754436 1132116019 /nfs/dbraw/zinc/11/60/19/1132116019.db2.gz POWPYWMVQTUCSY-JGZJWPJOSA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001213667414 1134476346 /nfs/dbraw/zinc/47/63/46/1134476346.db2.gz QOKWLKQQHFDDJL-UHFFFAOYSA-N -1 1 280.230 3.631 20 5 CHBDMM CC[C@@H]1CCCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395908 1125554165 /nfs/dbraw/zinc/55/41/65/1125554165.db2.gz NHJPYXVSCOGVIK-MFKMUULPSA-N -1 1 265.309 3.648 20 5 CHBDMM Cc1ccc([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229396334 1132061861 /nfs/dbraw/zinc/06/18/61/1132061861.db2.gz SDRLKZNUCDAIAF-LLVKDONJSA-N -1 1 273.288 3.749 20 5 CHBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC001229398625 1132063472 /nfs/dbraw/zinc/06/34/72/1132063472.db2.gz WOKZNIRMADEDHJ-SECBINFHSA-N -1 1 277.251 3.580 20 5 CHBDMM Cc1cc([O-])c(OC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001229750655 1132114367 /nfs/dbraw/zinc/11/43/67/1132114367.db2.gz POWPYWMVQTUCSY-UHFFFAOYSA-N -1 1 265.309 3.566 20 5 CHBDMM Cc1cc([O-])c(O[C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC001229750653 1132114562 /nfs/dbraw/zinc/11/45/62/1132114562.db2.gz POWPYWMVQTUCSY-HOMQSWHASA-N -1 1 265.309 3.566 20 5 CHBDMM O=[N+]([O-])c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001204467885 1133451453 /nfs/dbraw/zinc/45/14/53/1133451453.db2.gz CSRVJJFWVAXSSY-UHFFFAOYSA-N -1 1 264.668 3.697 20 5 CHBDMM