smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Oc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000035277226 213016688 /nfs/dbraw/zinc/01/66/88/213016688.db2.gz XFTVEAHWLYKDMN-UHFFFAOYSA-N 0 0 326.121 4.597 20 5 EJBDRN Cc1cc(Br)cc(C)c1NCc1cccc([N+](=O)[O-])c1 ZINC000020071112 212099769 /nfs/dbraw/zinc/09/97/69/212099769.db2.gz PVRIQCXZJWZPKA-UHFFFAOYSA-N 0 0 335.201 4.586 20 5 EJBDRN Cc1cc(Br)cc(C)c1NCc1ccc([N+](=O)[O-])cc1 ZINC000020071109 212099700 /nfs/dbraw/zinc/09/97/00/212099700.db2.gz RUGUWNVDPJGVTE-UHFFFAOYSA-N 0 0 335.201 4.586 20 5 EJBDRN Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1[N+](=O)[O-] ZINC000015629594 211836107 /nfs/dbraw/zinc/83/61/07/211836107.db2.gz JBAVLZCUXGNHEJ-UHFFFAOYSA-N 0 0 331.180 4.524 20 5 EJBDRN CC(C)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000014905935 211771724 /nfs/dbraw/zinc/77/17/24/211771724.db2.gz RONZTJOJTBMOKW-UHFFFAOYSA-N 0 0 339.395 4.545 20 5 EJBDRN CC[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000014049079 211673747 /nfs/dbraw/zinc/67/37/47/211673747.db2.gz XJLINAJXVWXEBT-NSHDSACASA-N 0 0 348.786 4.569 20 5 EJBDRN Cc1nn(CC(=O)c2ccc(C(C)C)cc2C(C)C)c(C)c1[N+](=O)[O-] ZINC000008985717 211027463 /nfs/dbraw/zinc/02/74/63/211027463.db2.gz KRGJXLJMTKHWHB-UHFFFAOYSA-N 0 0 343.427 4.538 20 5 EJBDRN CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000055989994 214351523 /nfs/dbraw/zinc/35/15/23/214351523.db2.gz GMASOVRUFVONQC-UHFFFAOYSA-N 0 0 348.786 4.598 20 5 EJBDRN Cc1cccc(C(C)C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000003592044 210060306 /nfs/dbraw/zinc/06/03/06/210060306.db2.gz FXMLZXDNYNNCKL-UHFFFAOYSA-N 0 0 344.436 4.757 20 5 EJBDRN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(Br)s1 ZINC000035230953 213015582 /nfs/dbraw/zinc/01/55/82/213015582.db2.gz JHBQHXGNDUVVQV-UHFFFAOYSA-N 0 0 347.621 4.684 20 5 EJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1Cl ZINC000068838698 202256551 /nfs/dbraw/zinc/25/65/51/202256551.db2.gz TXOUZGVMEWBZBU-LLVKDONJSA-N 0 0 327.771 4.970 20 5 EJBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000055604863 202695573 /nfs/dbraw/zinc/69/55/73/202695573.db2.gz USHHRWVMLZIPLF-ZDUSSCGKSA-N 0 0 338.363 4.564 20 5 EJBDRN Cc1cccc(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000023116930 212349392 /nfs/dbraw/zinc/34/93/92/212349392.db2.gz TZERXANHATZZHH-UHFFFAOYSA-N 0 0 326.377 4.679 20 5 EJBDRN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2cccc(F)c12 ZINC000019676938 212054110 /nfs/dbraw/zinc/05/41/10/212054110.db2.gz JSIWSQKYHXUZBR-UHFFFAOYSA-N 0 0 330.340 4.509 20 5 EJBDRN O=[N+]([O-])c1ccccc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008050447 210887998 /nfs/dbraw/zinc/88/79/98/210887998.db2.gz GVMKBXAVGKJPMA-HNNXBMFYSA-N 0 0 325.393 4.546 20 5 EJBDRN Cc1cc(C)cc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000007159340 210763067 /nfs/dbraw/zinc/76/30/67/210763067.db2.gz DDZJEVVUDZSZHT-UHFFFAOYSA-N 0 0 341.392 4.554 20 5 EJBDRN CCCCOc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005707875 210521719 /nfs/dbraw/zinc/52/17/19/210521719.db2.gz FHWDFDIIBMUSMD-UHFFFAOYSA-N 0 0 348.786 4.679 20 5 EJBDRN Cc1ccccc1S[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000059929348 214626043 /nfs/dbraw/zinc/62/60/43/214626043.db2.gz OXYWECGICPSAFL-LBPRGKRZSA-N 0 0 341.392 4.807 20 5 EJBDRN Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000014601970 201938501 /nfs/dbraw/zinc/93/85/01/201938501.db2.gz NMHGPBZSDZVWLW-CQSZACIVSA-N 0 0 334.375 4.547 20 5 EJBDRN Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000040882823 213396951 /nfs/dbraw/zinc/39/69/51/213396951.db2.gz TYNJXGYPGYVERR-UHFFFAOYSA-N 0 0 333.343 4.789 20 5 EJBDRN Cc1cc(C)cc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000022236541 202081025 /nfs/dbraw/zinc/08/10/25/202081025.db2.gz MLMNVCZAJJKQEX-UHFFFAOYSA-N 0 0 341.392 4.554 20 5 EJBDRN O=[N+]([O-])c1cccc(CNc2ccc(Br)cc2Cl)c1 ZINC000037388807 213142750 /nfs/dbraw/zinc/14/27/50/213142750.db2.gz LQDNTTKNOXIXFX-UHFFFAOYSA-N 0 0 341.592 4.623 20 5 EJBDRN CCC(CC)(NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000072079408 216004195 /nfs/dbraw/zinc/00/41/95/216004195.db2.gz FXANVNADLHBUGV-UHFFFAOYSA-N 0 0 346.814 4.694 20 5 EJBDRN CC(C)OCCSc1nc2ccccc2c2nc3ccccc3n21 ZINC000023470786 212378725 /nfs/dbraw/zinc/37/87/25/212378725.db2.gz BWOLAHYKZJXJDK-UHFFFAOYSA-N 0 0 337.448 4.553 20 5 EJBDRN CCCCCc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000022459287 212297767 /nfs/dbraw/zinc/29/77/67/212297767.db2.gz PFJBPTFLTBFGGL-UHFFFAOYSA-N 0 0 326.396 4.888 20 5 EJBDRN COc1cccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 ZINC000021224907 212216746 /nfs/dbraw/zinc/21/67/46/212216746.db2.gz ITJZTSOATVYAMF-UHFFFAOYSA-N 0 0 326.377 4.702 20 5 EJBDRN O=[N+]([O-])c1cc(Br)ccc1NC1CCCCCCC1 ZINC000020019673 212094532 /nfs/dbraw/zinc/09/45/32/212094532.db2.gz KYEOBCBEHSVLSL-UHFFFAOYSA-N 0 0 327.222 4.882 20 5 EJBDRN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2cccc(F)c12 ZINC000019676807 212054757 /nfs/dbraw/zinc/05/47/57/212054757.db2.gz XBJMMUSHERPWCR-UHFFFAOYSA-N 0 0 330.340 4.509 20 5 EJBDRN CC(C)CCC[C@@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000109968682 204298327 /nfs/dbraw/zinc/29/83/27/204298327.db2.gz GQIMBLDNQVLCSH-LLVKDONJSA-N 0 0 329.238 4.984 20 5 EJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000019160692 212001409 /nfs/dbraw/zinc/00/14/09/212001409.db2.gz XWWSVKOAKDYRTH-UHFFFAOYSA-N 0 0 348.358 4.948 20 5 EJBDRN Cc1c2cccc(Cl)c2oc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000019164751 212002730 /nfs/dbraw/zinc/00/27/30/212002730.db2.gz NEKLKHNEMRTLRY-UHFFFAOYSA-N 0 0 344.754 4.864 20 5 EJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000019160679 212001854 /nfs/dbraw/zinc/00/18/54/212001854.db2.gz HEGIBYJDYZYQRQ-UHFFFAOYSA-N 0 0 348.358 4.948 20 5 EJBDRN CCSc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078507149 217066287 /nfs/dbraw/zinc/06/62/87/217066287.db2.gz DYNMZISKRGSPDB-UHFFFAOYSA-N 0 0 336.800 4.613 20 5 EJBDRN CCn1c2ccccc2nc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007091754 210756858 /nfs/dbraw/zinc/75/68/58/210756858.db2.gz BASGAQUQAIXHFZ-GFCCVEGCSA-N 0 0 327.409 4.818 20 5 EJBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc(F)c2)c2ccncc21 ZINC000097477252 219027922 /nfs/dbraw/zinc/02/79/22/219027922.db2.gz MCANEPXMJKLPJM-QGZVFWFLSA-N 0 0 337.354 4.624 20 5 EJBDRN Cc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(Cl)c1 ZINC000054352457 214233057 /nfs/dbraw/zinc/23/30/57/214233057.db2.gz HCZGCMFSTJGRRK-UHFFFAOYSA-N 0 0 343.564 4.506 20 5 EJBDRN Cc1cccc(C)c1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000098077687 219079640 /nfs/dbraw/zinc/07/96/40/219079640.db2.gz QFOULBDEPYXSGJ-UHFFFAOYSA-N 0 0 326.396 4.761 20 5 EJBDRN Cc1c(NC(=O)N(C)[C@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000047346093 213845316 /nfs/dbraw/zinc/84/53/16/213845316.db2.gz JWXKMZHTLWXWIN-GFCCVEGCSA-N 0 0 347.802 4.782 20 5 EJBDRN Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1[N+](=O)[O-] ZINC000019170093 201999480 /nfs/dbraw/zinc/99/94/80/201999480.db2.gz DMTMQKBSQWWESR-UHFFFAOYSA-N 0 0 340.310 4.555 20 5 EJBDRN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1F ZINC000023132544 212353236 /nfs/dbraw/zinc/35/32/36/212353236.db2.gz NAFWLQVTJJVISY-UHFFFAOYSA-N 0 0 330.340 4.509 20 5 EJBDRN CCn1c2ccccc2c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc21 ZINC000020462533 212133832 /nfs/dbraw/zinc/13/38/32/212133832.db2.gz SKRVLQSBTNTUAV-UHFFFAOYSA-N 0 0 349.346 4.568 20 5 EJBDRN CCCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000071873956 203134528 /nfs/dbraw/zinc/13/45/28/203134528.db2.gz MMCTULZHQLJWFJ-UONOGXRCSA-N 0 0 338.473 4.503 20 5 EJBDRN O=[N+]([O-])c1cccc(F)c1CSc1nc2cc(Cl)ccc2o1 ZINC000078412038 217049722 /nfs/dbraw/zinc/04/97/22/217049722.db2.gz HRRLTZNRCKYAOK-UHFFFAOYSA-N 0 0 338.747 4.821 20 5 EJBDRN O=[N+]([O-])c1cc(CN[C@H]2CCSc3ccc(Cl)cc32)cs1 ZINC000037562967 527331119 /nfs/dbraw/zinc/33/11/19/527331119.db2.gz LNCJGGQERRCOIF-LBPRGKRZSA-N 0 0 340.857 4.636 20 5 EJBDRN O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2)c(Br)c1 ZINC000037131276 201886575 /nfs/dbraw/zinc/88/65/75/201886575.db2.gz SQIHYVZWMLFMOW-UHFFFAOYSA-N 0 0 341.592 4.623 20 5 EJBDRN Cc1cccc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000067008831 215103371 /nfs/dbraw/zinc/10/33/71/215103371.db2.gz FSJWZPBKEDKBPN-GFCCVEGCSA-N 0 0 341.392 4.807 20 5 EJBDRN CCCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000071873957 215905340 /nfs/dbraw/zinc/90/53/40/215905340.db2.gz MMCTULZHQLJWFJ-ZIAGYGMSSA-N 0 0 338.473 4.503 20 5 EJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000038002847 213187172 /nfs/dbraw/zinc/18/71/72/213187172.db2.gz KCAKLNDWNRLFIB-QMMMGPOBSA-N 0 0 327.203 4.592 20 5 EJBDRN COc1ccc([N+](=O)[O-])cc1CNc1cc(Cl)cc(Cl)c1 ZINC000023003932 212341939 /nfs/dbraw/zinc/34/19/39/212341939.db2.gz GJLIBHDJEBJGFN-UHFFFAOYSA-N 0 0 327.167 4.522 20 5 EJBDRN O=[N+]([O-])c1ccccc1CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000021547986 212231809 /nfs/dbraw/zinc/23/18/09/212231809.db2.gz KRSSFOUSOKMDLB-UHFFFAOYSA-N 0 0 347.783 4.591 20 5 EJBDRN CCCCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000071873958 203134096 /nfs/dbraw/zinc/13/40/96/203134096.db2.gz MMCTULZHQLJWFJ-KBPBESRZSA-N 0 0 338.473 4.503 20 5 EJBDRN O=[N+]([O-])c1ccc(OCc2csc(-c3ccoc3)n2)c(Cl)c1 ZINC000078565981 217078754 /nfs/dbraw/zinc/07/87/54/217078754.db2.gz INUMAGUYVSXEFA-UHFFFAOYSA-N 0 0 336.756 4.544 20 5 EJBDRN O=[N+]([O-])c1cc(Br)ccc1NCCC1=CCCCC1 ZINC000111819643 220197712 /nfs/dbraw/zinc/19/77/12/220197712.db2.gz OBGIBDFEJCVFKO-UHFFFAOYSA-N 0 0 325.206 4.660 20 5 EJBDRN Cc1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000006271944 210609393 /nfs/dbraw/zinc/60/93/93/210609393.db2.gz WWMHGAODKQSOMQ-UHFFFAOYSA-N 0 0 333.343 4.789 20 5 EJBDRN Cc1cc(Br)cc(C)c1NCc1csc([N+](=O)[O-])c1 ZINC000037772382 213165331 /nfs/dbraw/zinc/16/53/31/213165331.db2.gz PRSBFENMAIZKNI-UHFFFAOYSA-N 0 0 341.230 4.648 20 5 EJBDRN Cc1cc(N2CCC[C@@H]2c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000071948901 215977887 /nfs/dbraw/zinc/97/78/87/215977887.db2.gz ZXNYBAADTWJWFK-MRXNPFEDSA-N 0 0 339.420 4.854 20 5 EJBDRN O=[N+]([O-])c1cccc2nc(/C=C/c3ccc(OC(F)F)cc3)ccc21 ZINC000020837438 212175492 /nfs/dbraw/zinc/17/54/92/212175492.db2.gz YVGHFJBMVSJHON-QPJJXVBHSA-N 0 0 342.301 4.915 20 5 EJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)sc1Cl ZINC000069830385 203055918 /nfs/dbraw/zinc/05/59/18/203055918.db2.gz SUQMRRVPADXTAO-UHFFFAOYSA-N 0 0 331.180 4.524 20 5 EJBDRN O=[N+]([O-])c1cc(Cl)ccc1OCc1coc(-c2cccs2)n1 ZINC000011837613 211254731 /nfs/dbraw/zinc/25/47/31/211254731.db2.gz BZKADDKYPYWNJK-UHFFFAOYSA-N 0 0 336.756 4.544 20 5 EJBDRN CCc1cccc(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000007400928 210794273 /nfs/dbraw/zinc/79/42/73/210794273.db2.gz ZOCCAKJOPLRRCG-UHFFFAOYSA-N 0 0 340.404 4.933 20 5 EJBDRN O=[N+]([O-])c1cc(CN[C@@H]2CCSc3ccc(Cl)cc32)cs1 ZINC000037562966 527331711 /nfs/dbraw/zinc/33/17/11/527331711.db2.gz LNCJGGQERRCOIF-GFCCVEGCSA-N 0 0 340.857 4.636 20 5 EJBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(C)ccc1C ZINC000045516874 213740270 /nfs/dbraw/zinc/74/02/70/213740270.db2.gz FMTPRMHXGMQLIT-UHFFFAOYSA-N 0 0 332.787 4.532 20 5 EJBDRN Cc1ccc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000037140046 213134199 /nfs/dbraw/zinc/13/41/99/213134199.db2.gz FUSQYMIFFBDALQ-VIFPVBQESA-N 0 0 341.230 4.900 20 5 EJBDRN O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(Cl)s1 ZINC000035230960 202290539 /nfs/dbraw/zinc/29/05/39/202290539.db2.gz LGLWBPYWAPLCKK-UHFFFAOYSA-N 0 0 347.621 4.684 20 5 EJBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000038002833 202384628 /nfs/dbraw/zinc/38/46/28/202384628.db2.gz OATRJIONRJXGQQ-QMMMGPOBSA-N 0 0 327.203 4.592 20 5 EJBDRN Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000023119645 212349491 /nfs/dbraw/zinc/34/94/91/212349491.db2.gz RIIONMNDOIMMRP-AWEZNQCLSA-N 0 0 344.436 4.639 20 5 EJBDRN Cc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1[N+](=O)[O-] ZINC000022458858 212298551 /nfs/dbraw/zinc/29/85/51/212298551.db2.gz UHIKEZLRCOPDCM-UHFFFAOYSA-N 0 0 344.370 4.727 20 5 EJBDRN CCCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005707870 210522015 /nfs/dbraw/zinc/52/20/15/210522015.db2.gz GHVFFJYXWSWMGT-UHFFFAOYSA-N 0 0 348.786 4.679 20 5 EJBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000055604864 214332946 /nfs/dbraw/zinc/33/29/46/214332946.db2.gz USHHRWVMLZIPLF-CYBMUJFWSA-N 0 0 338.363 4.564 20 5 EJBDRN Cc1cccc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000098076371 219079554 /nfs/dbraw/zinc/07/95/54/219079554.db2.gz JLLBWBHRKVMMAO-UHFFFAOYSA-N 0 0 347.374 4.899 20 5 EJBDRN Cc1cc(C)cc(NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000013812094 201917498 /nfs/dbraw/zinc/91/74/98/201917498.db2.gz BKHOOVJBVOKODU-UHFFFAOYSA-N 0 0 335.816 4.674 20 5 EJBDRN O=[N+]([O-])c1ncccc1O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021713379 202068729 /nfs/dbraw/zinc/06/87/29/202068729.db2.gz WYPLLTIAWSPOPP-KRWDZBQOSA-N 0 0 340.766 4.812 20 5 EJBDRN O=[N+]([O-])c1ncccc1O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021713382 202068796 /nfs/dbraw/zinc/06/87/96/202068796.db2.gz WYPLLTIAWSPOPP-QGZVFWFLSA-N 0 0 340.766 4.812 20 5 EJBDRN O=[N+]([O-])c1ccc(Br)c(OCc2ccc(Cl)cc2)c1 ZINC000036719643 213113296 /nfs/dbraw/zinc/11/32/96/213113296.db2.gz XLVDKQFHNQPOIK-UHFFFAOYSA-N 0 0 342.576 4.590 20 5 EJBDRN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000036075234 213059840 /nfs/dbraw/zinc/05/98/40/213059840.db2.gz FOHVAHRJDZEATC-UHFFFAOYSA-N 0 0 346.814 4.554 20 5 EJBDRN Cc1sc2ncnc(Oc3ccc(Cl)cc3[N+](=O)[O-])c2c1C ZINC000022804856 212327170 /nfs/dbraw/zinc/32/71/70/212327170.db2.gz ZKNBIMSTXOXWHP-UHFFFAOYSA-N 0 0 335.772 4.662 20 5 EJBDRN O=[N+]([O-])c1cccc(CSc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000021547773 212231309 /nfs/dbraw/zinc/23/13/09/212231309.db2.gz AYKFHZFIRYOSJN-UHFFFAOYSA-N 0 0 347.783 4.591 20 5 EJBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(Br)c1 ZINC000020474713 212135786 /nfs/dbraw/zinc/13/57/86/212135786.db2.gz OTRUAZKCGBEWHY-UHFFFAOYSA-N 0 0 326.121 4.597 20 5 EJBDRN CCc1ccc([C@H]2CCCCCN2C(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000078849977 217133983 /nfs/dbraw/zinc/13/39/83/217133983.db2.gz AHAFWPTYQLZKFR-QGZVFWFLSA-N 0 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