smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016468076 1125538948 /nfs/dbraw/zinc/53/89/48/1125538948.db2.gz WICXSCKRMOWJKO-LBPRGKRZSA-N 0 0 285.299 3.821 50 5 CHBARN C[C@H](S/C=C\c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C ZINC000886007200 1125635885 /nfs/dbraw/zinc/63/58/85/1125635885.db2.gz AJMLNBLFHUCHRS-FUOZMLNRSA-N 0 0 299.348 3.622 50 5 CHBARN Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000000446476 1119589016 /nfs/dbraw/zinc/58/90/16/1119589016.db2.gz OINNHOFNLOAZNH-UHFFFAOYSA-N 0 0 281.271 3.620 50 5 CHBARN CC1(C)O[C@H](c2ccc([N+](=O)[O-])o2)Nc2ccccc21 ZINC000034132223 1120317056 /nfs/dbraw/zinc/31/70/56/1120317056.db2.gz RRNLJVVCMGCOLT-CYBMUJFWSA-N 0 0 274.276 3.564 50 5 CHBARN Cc1cccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000619022 1120821775 /nfs/dbraw/zinc/82/17/75/1120821775.db2.gz NGMPJOVGDRBUQQ-UHFFFAOYSA-N 0 0 287.344 3.712 50 5 CHBARN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000471225 230366068 /nfs/dbraw/zinc/36/60/68/230366068.db2.gz UPXXSWQIWOPHAP-CHWSQXEVSA-N 0 0 298.342 3.576 50 5 CHBARN CCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F ZINC000261493979 190039624 /nfs/dbraw/zinc/03/96/24/190039624.db2.gz NENJQBWSXWOZMQ-UHFFFAOYSA-N 0 0 267.178 3.542 50 5 CHBARN CCCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000261494443 190039633 /nfs/dbraw/zinc/03/96/33/190039633.db2.gz XRXLFOHKYIMEFU-UHFFFAOYSA-N 0 0 280.324 3.746 50 5 CHBARN CCCOc1cc([N+](=O)[O-])cc(Cl)c1OC(C)C ZINC000261494018 190039674 /nfs/dbraw/zinc/03/96/74/190039674.db2.gz OBHMLAFDLXOCLD-UHFFFAOYSA-N 0 0 273.716 3.824 50 5 CHBARN Cc1cc(Cl)c([N+](=O)[O-])cc1OCc1cccnc1 ZINC000261494258 190039810 /nfs/dbraw/zinc/03/98/10/190039810.db2.gz SVWSJJJHKNGUIR-UHFFFAOYSA-N 0 0 278.695 3.531 50 5 CHBARN O=[N+]([O-])c1c(Cl)ccc(OC(F)F)c1Cl ZINC000263624160 190071022 /nfs/dbraw/zinc/07/10/22/190071022.db2.gz NZECEPAREZXBAK-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN O=[N+]([O-])c1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000263624541 190071149 /nfs/dbraw/zinc/07/11/49/190071149.db2.gz RJHWNCHDYISUEU-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN O=[N+]([O-])c1c(Cl)ccc(Cl)c1Br ZINC000263624929 190071177 /nfs/dbraw/zinc/07/11/77/190071177.db2.gz VGAWOPPMBFQSID-UHFFFAOYSA-N 0 0 270.897 3.664 50 5 CHBARN O=[N+]([O-])c1ccc(-c2nc(Cl)c3ccccc3n2)cc1 ZINC000000145936 169553543 /nfs/dbraw/zinc/55/35/43/169553543.db2.gz QSGBEFYDNWEKDW-UHFFFAOYSA-N 0 0 285.690 3.858 50 5 CHBARN CC[C@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000000272933 169594275 /nfs/dbraw/zinc/59/42/75/169594275.db2.gz QQDVTEKQCBEBEK-JTQLQIEISA-N 0 0 288.303 3.954 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1Cc1cc(F)ccc1F ZINC000000315107 169606244 /nfs/dbraw/zinc/60/62/44/169606244.db2.gz IRHDQYWBJNISMC-UHFFFAOYSA-N 0 0 263.243 3.772 50 5 CHBARN O=C(Nc1ccccc1Cl)c1cc(F)ccc1[N+](=O)[O-] ZINC000000381199 169624279 /nfs/dbraw/zinc/62/42/79/169624279.db2.gz AUZKHXUAJIUFFT-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN Cc1ccc2c(c1C)NC(=O)C[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000000427734 169637842 /nfs/dbraw/zinc/63/78/42/169637842.db2.gz VDQVYNJTDYTLFB-CQSZACIVSA-N 0 0 296.326 3.686 50 5 CHBARN CN(c1ccccc1)c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC000000454909 169644719 /nfs/dbraw/zinc/64/47/19/169644719.db2.gz SCADSUITEVTTIM-VAWYXSNFSA-N 0 0 254.289 3.702 50 5 CHBARN O=[N+]([O-])/C=C/c1ccc(OCc2ccccc2F)cc1 ZINC000000476256 169651121 /nfs/dbraw/zinc/65/11/21/169651121.db2.gz CLMFHASRSQJEPD-MDZDMXLPSA-N 0 0 273.263 3.652 50 5 CHBARN Cc1cc([N+](=O)[O-])cc(Br)c1N1CCCCC1 ZINC000045886340 134917330 /nfs/dbraw/zinc/91/73/30/134917330.db2.gz CDZXNAAOKIRILG-UHFFFAOYSA-N 0 0 299.168 3.656 50 5 CHBARN Cc1cc(-c2cc(C)c([N+](=O)[O-])s2)sc1[N+](=O)[O-] ZINC000002172884 169779479 /nfs/dbraw/zinc/77/94/79/169779479.db2.gz JUYNXZKETGZBIR-UHFFFAOYSA-N 0 0 284.318 3.910 50 5 CHBARN Cc1ccc(NC(=O)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004755417 170012884 /nfs/dbraw/zinc/01/28/84/170012884.db2.gz HIGYDUXQTVUFOF-UHFFFAOYSA-N 0 0 298.342 3.865 50 5 CHBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000004755426 170012953 /nfs/dbraw/zinc/01/29/53/170012953.db2.gz BCJWMJWZLIZEDQ-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccco1 ZINC000004798995 170019349 /nfs/dbraw/zinc/01/93/49/170019349.db2.gz FZLXVANBRDBDAL-UHFFFAOYSA-N 0 0 296.666 3.590 50 5 CHBARN Cc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000004868887 170034029 /nfs/dbraw/zinc/03/40/29/170034029.db2.gz UAOLYSMMCNFWOY-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN Cc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000005014096 170055592 /nfs/dbraw/zinc/05/55/92/170055592.db2.gz IYOKZTIWWBRTMW-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Brc1cc2cccnc2c2ncccc12 ZINC000005162161 170072691 /nfs/dbraw/zinc/07/26/91/170072691.db2.gz GWKGPQCKIBRXGW-UHFFFAOYSA-N 0 0 259.106 3.546 50 5 CHBARN O=C(OCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005236599 170078311 /nfs/dbraw/zinc/07/83/11/170078311.db2.gz KZIZRCJLUOADAX-UHFFFAOYSA-N 0 0 291.690 3.605 50 5 CHBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1NC1CCCCC1 ZINC000005296173 170084000 /nfs/dbraw/zinc/08/40/00/170084000.db2.gz FPPDTJLFEZIALU-UHFFFAOYSA-N 0 0 296.714 3.529 50 5 CHBARN CCCCN(CCCC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005419406 170097347 /nfs/dbraw/zinc/09/73/47/170097347.db2.gz DKXJINGJIBJNOW-UHFFFAOYSA-N 0 0 292.379 3.946 50 5 CHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000005637376 170122741 /nfs/dbraw/zinc/12/27/41/170122741.db2.gz VCRPNOUTUUXUNC-UHFFFAOYSA-N 0 0 296.735 3.870 50 5 CHBARN C[C@H]1Cc2ccccc2N1Cc1cccc([N+](=O)[O-])c1 ZINC000005700953 170131002 /nfs/dbraw/zinc/13/10/02/170131002.db2.gz URTDNWZWNHPMCT-LBPRGKRZSA-N 0 0 268.316 3.546 50 5 CHBARN CCc1ccc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000006803226 170245260 /nfs/dbraw/zinc/24/52/60/170245260.db2.gz UHIKEBPLJKYXKA-UHFFFAOYSA-N 0 0 282.303 3.549 50 5 CHBARN O=[N+]([O-])c1c(Sc2ccc(F)cc2)nc2sccn21 ZINC000008318709 170330493 /nfs/dbraw/zinc/33/04/93/170330493.db2.gz IARNWGVKTRSCSQ-UHFFFAOYSA-N 0 0 295.320 3.594 50 5 CHBARN Cc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1 ZINC000013801438 170595532 /nfs/dbraw/zinc/59/55/32/170595532.db2.gz NUAFVBSVIMQSHZ-UHFFFAOYSA-N 0 0 281.267 3.677 50 5 CHBARN COc1ccccc1[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000015170203 170658504 /nfs/dbraw/zinc/65/85/04/170658504.db2.gz ZFIJMDDREUQYKG-SNVBAGLBSA-N 0 0 290.294 3.916 50 5 CHBARN O=[N+]([O-])c1ccccc1Nc1c(F)cccc1F ZINC000040186609 174203065 /nfs/dbraw/zinc/20/30/65/174203065.db2.gz SEWMPFVBNMCYHI-UHFFFAOYSA-N 0 0 250.204 3.617 50 5 CHBARN Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000043348189 175018998 /nfs/dbraw/zinc/01/89/98/175018998.db2.gz BGNOLECQVKCMFZ-JQWIXIFHSA-N 0 0 291.351 3.603 50 5 CHBARN COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1 ZINC000073639484 176480479 /nfs/dbraw/zinc/48/04/79/176480479.db2.gz MFQKCYJEIOVZED-UHFFFAOYSA-N 0 0 284.271 3.720 50 5 CHBARN CC(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004893510 528079494 /nfs/dbraw/zinc/07/94/94/528079494.db2.gz AJSMSMVKSJUVOL-UHFFFAOYSA-N 0 0 284.315 3.971 50 5 CHBARN CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000003899196 528149774 /nfs/dbraw/zinc/14/97/74/528149774.db2.gz FNIYWLDEOSHKTD-CYBMUJFWSA-N 0 0 271.276 3.515 50 5 CHBARN CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000000376355 570265793 /nfs/dbraw/zinc/26/57/93/570265793.db2.gz NVZVJFIPMRHUFI-VXGBXAGGSA-N 0 0 278.352 3.634 50 5 CHBARN Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1ccc(C)cc1 ZINC000003207283 566847150 /nfs/dbraw/zinc/84/71/50/566847150.db2.gz XAYAZUUBKPBFDF-KRWDZBQOSA-N 0 0 294.354 3.965 50 5 CHBARN O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(Cl)cc1 ZINC000004093890 566857554 /nfs/dbraw/zinc/85/75/54/566857554.db2.gz AKSITNODIZEBBT-UHFFFAOYSA-N 0 0 290.666 3.528 50 5 CHBARN O=[N+]([O-])c1cccc(OCc2cc(-c3ccccc3)on2)c1 ZINC000015544902 566883339 /nfs/dbraw/zinc/88/33/39/566883339.db2.gz GRSYMUIYECLEGV-UHFFFAOYSA-N 0 0 296.282 3.829 50 5 CHBARN O=[N+]([O-])c1cccc(NCc2ccccc2Cl)c1 ZINC000001514200 566903494 /nfs/dbraw/zinc/90/34/94/566903494.db2.gz DSGIXYILEPMUKK-UHFFFAOYSA-N 0 0 262.696 3.860 50 5 CHBARN CCC[C@@H](C)N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000075105531 566935193 /nfs/dbraw/zinc/93/51/93/566935193.db2.gz NUBYGQLRIDERSX-SECBINFHSA-N 0 0 284.743 3.509 50 5 CHBARN Cc1noc(/C=C\C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000016249567 566938744 /nfs/dbraw/zinc/93/87/44/566938744.db2.gz DKPBCIGIONEFBT-OZDSWYPASA-N 0 0 256.261 3.618 50 5 CHBARN CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000016246922 566938759 /nfs/dbraw/zinc/93/87/59/566938759.db2.gz NVZVJFIPMRHUFI-TXEJJXNPSA-N 0 0 278.352 3.634 50 5 CHBARN C[C@@H]([C@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000001667286 566942842 /nfs/dbraw/zinc/94/28/42/566942842.db2.gz ZISZMLQGFYEQMF-BBRMVZONSA-N 0 0 283.327 3.708 50 5 CHBARN Cc1c(C(=O)N(C)C2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000013013064 566957331 /nfs/dbraw/zinc/95/73/31/566957331.db2.gz SZHONSYPKGEUTK-UHFFFAOYSA-N 0 0 290.363 3.554 50 5 CHBARN CC(C)Cc1c2c[nH]nc2nc2c3ccc(O)cc3oc21 ZINC000096222416 566982412 /nfs/dbraw/zinc/98/24/12/566982412.db2.gz UVTNMEOMYAJONL-UHFFFAOYSA-N 0 0 281.315 3.761 50 5 biogenic CHBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Cl ZINC000002166806 567063333 /nfs/dbraw/zinc/06/33/33/567063333.db2.gz VLVNHMVSVDVAOA-UHFFFAOYSA-N 0 0 259.998 3.920 50 5 CHBARN COc1ccc(Sc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000068675267 567114291 /nfs/dbraw/zinc/11/42/91/567114291.db2.gz RSBZSLSWHFKGHL-UHFFFAOYSA-N 0 0 291.328 3.763 50 5 CHBARN O=[N+]([O-])c1ccc(F)c(F)c1Nc1ccccc1 ZINC000095496074 567136198 /nfs/dbraw/zinc/13/61/98/567136198.db2.gz XUIVIJFKGLNRMK-UHFFFAOYSA-N 0 0 250.204 3.617 50 5 CHBARN Cc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000002566664 567148682 /nfs/dbraw/zinc/14/86/82/567148682.db2.gz CCGCLMJSSPPDFV-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN Cc1nc(SCc2ccc([N+](=O)[O-])cc2)nc(C)c1C ZINC000003420708 567173876 /nfs/dbraw/zinc/17/38/76/567173876.db2.gz FFVORIRLGDPWLY-UHFFFAOYSA-N 0 0 289.360 3.602 50 5 CHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003997682 567182056 /nfs/dbraw/zinc/18/20/56/567182056.db2.gz ZKCJWUWQXSPDEO-UHFFFAOYSA-N 0 0 274.242 3.604 50 5 CHBARN O=[N+]([O-])c1ccc(NC2CCCC2)c(Br)c1 ZINC000004049755 567184310 /nfs/dbraw/zinc/18/43/10/567184310.db2.gz DOOOOVMWFSSHHK-UHFFFAOYSA-N 0 0 285.141 3.712 50 5 CHBARN Cc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1 ZINC000000033963 567816816 /nfs/dbraw/zinc/81/68/16/567816816.db2.gz QPKYMPPBOCVXOR-MRXNPFEDSA-N 0 0 267.284 3.746 50 5 CHBARN O=[N+]([O-])c1ccc(Sc2ccccn2)c(Cl)c1 ZINC000000472180 567831837 /nfs/dbraw/zinc/83/18/37/567831837.db2.gz XLOWLZLIGWLAPQ-UHFFFAOYSA-N 0 0 266.709 3.794 50 5 CHBARN CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(OC)c2c1 ZINC000004312108 567856560 /nfs/dbraw/zinc/85/65/60/567856560.db2.gz SLTOYZQBCHIYGO-UHFFFAOYSA-N 0 0 298.298 3.704 50 5 CHBARN O=C(Nc1csc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 ZINC000004323513 567861055 /nfs/dbraw/zinc/86/10/55/567861055.db2.gz FRBVFYWBWOUZIY-UHFFFAOYSA-N 0 0 297.723 3.954 50 5 CHBARN O=[N+]([O-])c1ccc(Cl)cc1NCCc1ccccc1 ZINC000004549136 567869390 /nfs/dbraw/zinc/86/93/90/567869390.db2.gz OFLHOFRZKONQJI-UHFFFAOYSA-N 0 0 276.723 3.903 50 5 CHBARN CO[C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004557354 567870029 /nfs/dbraw/zinc/87/00/29/567870029.db2.gz GBDHCPARITZTJQ-OAHLLOKOSA-N 0 0 257.289 3.525 50 5 CHBARN O=[N+]([O-])/C=C/c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000000037418 567905522 /nfs/dbraw/zinc/90/55/22/567905522.db2.gz PWAJOQMAZBVOOC-DHZHZOJOSA-N 0 0 278.311 3.937 50 5 CHBARN O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)nc1 ZINC000060846331 567910789 /nfs/dbraw/zinc/91/07/89/567910789.db2.gz XPQAZLGEBVDEHX-UHFFFAOYSA-N 0 0 280.736 3.936 50 5 CHBARN C[C@H]([C@@H](Sc1ccccc1N)c1ccccc1)[N+](=O)[O-] ZINC000000101686 567911237 /nfs/dbraw/zinc/91/12/37/567911237.db2.gz INJWQHQNDINBMN-IAQYHMDHSA-N 0 0 288.372 3.767 50 5 CHBARN Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000122478 567923298 /nfs/dbraw/zinc/92/32/98/567923298.db2.gz MFEVTDYQGOHNHC-UHFFFAOYSA-N 0 0 291.690 3.776 50 5 CHBARN O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000260689 567925656 /nfs/dbraw/zinc/92/56/56/567925656.db2.gz WAKIEGNWFGFZLM-UHFFFAOYSA-N 0 0 276.679 3.501 50 5 CHBARN Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000000272602 567926250 /nfs/dbraw/zinc/92/62/50/567926250.db2.gz DSVHWHRLAJXORB-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000000300577 567926504 /nfs/dbraw/zinc/92/65/04/567926504.db2.gz HMLVGAFIKGZGAI-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000024235922 567930308 /nfs/dbraw/zinc/93/03/08/567930308.db2.gz NIXSHFYUQDPTJZ-QMMMGPOBSA-N 0 0 296.373 3.551 50 5 CHBARN Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000000458705 567930943 /nfs/dbraw/zinc/93/09/43/567930943.db2.gz XPOGAUZSVMLMFE-UHFFFAOYSA-N 0 0 269.300 3.751 50 5 CHBARN O=[N+]([O-])c1cccnc1Sc1nc2ccccc2s1 ZINC000000480182 567938280 /nfs/dbraw/zinc/93/82/80/567938280.db2.gz BDUCPDJPRHVCPL-UHFFFAOYSA-N 0 0 289.341 3.751 50 5 CHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl ZINC000004679152 570247293 /nfs/dbraw/zinc/24/72/93/570247293.db2.gz XWRVTZUXHGFDMV-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000063640 570250664 /nfs/dbraw/zinc/25/06/64/570250664.db2.gz OZWIWRJYNXKEBT-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN CC(C)CNc1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000061714656 570272193 /nfs/dbraw/zinc/27/21/93/570272193.db2.gz SSEWRFJGOPVGRG-UHFFFAOYSA-N 0 0 277.349 3.786 50 5 CHBARN O=[N+]([O-])C[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000003278422 570327791 /nfs/dbraw/zinc/32/77/91/570327791.db2.gz WQMAXEWGZZQYED-LBPRGKRZSA-N 0 0 272.329 3.638 50 5 CHBARN COc1cccc2c1Oc1cc([N+](=O)[O-])ccc1C=C2 ZINC000001420957 570335287 /nfs/dbraw/zinc/33/52/87/570335287.db2.gz RTYBNNXASDEOBQ-UHFFFAOYSA-N 0 0 269.256 3.880 50 5 CHBARN CCCCOc1ccc(/C=C(/C)[N+](=O)[O-])cc1OC ZINC000003668278 570378995 /nfs/dbraw/zinc/37/89/95/570378995.db2.gz HCHOQYGETZIMPV-LUAWRHEFSA-N 0 0 265.309 3.512 50 5 biogenic CHBARN CC(=O)c1ccc(N2CC(C)(C)[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000253433075 570386008 /nfs/dbraw/zinc/38/60/08/570386008.db2.gz RMAQASHVIRHVQW-HNNXBMFYSA-N 0 0 290.363 3.668 50 5 CHBARN Cc1c(C(=O)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000002743120 570398351 /nfs/dbraw/zinc/39/83/51/570398351.db2.gz AZFPNCMLRIPOKX-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN Cc1ccc(-c2ccnc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000725273430 1119100760 /nfs/dbraw/zinc/10/07/60/1119100760.db2.gz BIHXVCFBGXWTKY-UHFFFAOYSA-N 0 0 264.231 3.903 50 5 CHBARN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000000437295 1119575097 /nfs/dbraw/zinc/57/50/97/1119575097.db2.gz CLIXURQNLHLABE-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1ccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000000447546 1119589151 /nfs/dbraw/zinc/58/91/51/1119589151.db2.gz GOAPBXATBWQGFM-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN Cc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000196225221 1128867902 /nfs/dbraw/zinc/86/79/02/1128867902.db2.gz HMJAGCLCHOPSST-UHFFFAOYSA-N 0 0 284.315 3.588 50 5 CHBARN O=[N+]([O-])c1ccc(NC2CCCCC2)c2ccncc21 ZINC000015174181 1121726750 /nfs/dbraw/zinc/72/67/50/1121726750.db2.gz AJBBPTZEJNCUPP-UHFFFAOYSA-N 0 0 271.320 3.888 50 5 CHBARN COc1ccc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@H]1C ZINC000000437915 1122621225 /nfs/dbraw/zinc/62/12/25/1122621225.db2.gz XLDWLDNJTCUERU-JQWIXIFHSA-N 0 0 264.325 3.594 50 5 CHBARN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000122772121 187050388 /nfs/dbraw/zinc/05/03/88/187050388.db2.gz HTYJDLSZZZZIDI-QMMMGPOBSA-N 0 0 293.710 3.522 50 5 CHBARN O=[N+]([O-])c1c(Cl)cc(Cl)cc1OC(F)F ZINC000263622834 190070794 /nfs/dbraw/zinc/07/07/94/190070794.db2.gz BHNAIWIMHGSISS-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN O=[N+]([O-])c1ccc(Cl)c(Cl)c1OC(F)F ZINC000263624695 190071182 /nfs/dbraw/zinc/07/11/82/190071182.db2.gz SRZODGVFLWVGJZ-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN O=[N+]([O-])c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 ZINC000004025537 184529255 /nfs/dbraw/zinc/52/92/55/184529255.db2.gz XMFNSEDROOHGBY-UHFFFAOYSA-N 0 0 299.355 3.850 50 5 in-vitro CHBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000500069 169657320 /nfs/dbraw/zinc/65/73/20/169657320.db2.gz HYIHKBFQELCVKB-INIZCTEOSA-N 0 0 298.342 3.722 50 5 CHBARN O=[N+]([O-])c1ccc(-c2ccc(Br)o2)cc1 ZINC000000502361 169657558 /nfs/dbraw/zinc/65/75/58/169657558.db2.gz HYOCPYUJLQDUPH-UHFFFAOYSA-N 0 0 268.066 3.617 50 5 CHBARN CCCC[C@H](CC)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002736283 169823597 /nfs/dbraw/zinc/82/35/97/169823597.db2.gz BUPHTPMBMBZTHR-ZDUSSCGKSA-N 0 0 292.379 3.849 50 5 CHBARN Nc1cc(SCCCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000002944909 169845627 /nfs/dbraw/zinc/84/56/27/169845627.db2.gz VXWWJBQNXCOYDB-UHFFFAOYSA-N 0 0 288.372 3.902 50 5 CHBARN CCCCCOc1ccc(/C=C(/C)[N+](=O)[O-])cc1OC ZINC000003668397 169906706 /nfs/dbraw/zinc/90/67/06/169906706.db2.gz ICWRGSDKEOUDES-BENRWUELSA-N 0 0 279.336 3.902 50 5 biogenic CHBARN O=C(Nc1ccccc1[N+](=O)[O-])OC/C=C/c1ccccc1 ZINC000004800033 170019116 /nfs/dbraw/zinc/01/91/16/170019116.db2.gz OZCYFXADSJBCHE-RMKNXTFCSA-N 0 0 298.298 3.857 50 5 CHBARN CCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004813880 170022005 /nfs/dbraw/zinc/02/20/05/170022005.db2.gz OUFFELDKGZEMLU-UHFFFAOYSA-N 0 0 284.315 3.718 50 5 CHBARN Cc1ccnc(SCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000004869116 170033968 /nfs/dbraw/zinc/03/39/68/170033968.db2.gz BCAXZZMECGIFIU-UHFFFAOYSA-N 0 0 295.751 3.639 50 5 CHBARN Cc1cc([N+](=O)[O-])ccc1NCc1c[nH]c2ccccc12 ZINC000004982192 170048628 /nfs/dbraw/zinc/04/86/28/170048628.db2.gz LUDGSHPNABFBSG-UHFFFAOYSA-N 0 0 281.315 3.997 50 5 CHBARN Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000005109274 170066823 /nfs/dbraw/zinc/06/68/23/170066823.db2.gz SVYHJZGGXYUNIX-GFCCVEGCSA-N 0 0 285.299 3.553 50 5 CHBARN O=[N+]([O-])c1cccnc1Nc1ccc(-c2nccs2)cc1 ZINC000007186924 170270235 /nfs/dbraw/zinc/27/02/35/170270235.db2.gz LHWJNWYXJVCYEA-UHFFFAOYSA-N 0 0 298.327 3.857 50 5 CHBARN CC(=O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008080521 170318329 /nfs/dbraw/zinc/31/83/29/170318329.db2.gz HXFDKYCCCPFDSF-UHFFFAOYSA-N 0 0 275.235 3.729 50 5 CHBARN NC(=S)Nc1cc2ccccc2c2ccccc12 ZINC000008672498 170344795 /nfs/dbraw/zinc/34/47/95/170344795.db2.gz XLVBYILFFQBEOQ-UHFFFAOYSA-N 0 0 252.342 3.649 50 5 CHBARN Cc1cc(Oc2ncc([N+](=O)[O-])s2)ccc1Cl ZINC000008716892 170348794 /nfs/dbraw/zinc/34/87/94/170348794.db2.gz OZPKYBVHOUJIPR-UHFFFAOYSA-N 0 0 270.697 3.805 50 5 CHBARN CC(C)c1cc(C(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032627345 171740714 /nfs/dbraw/zinc/74/07/14/171740714.db2.gz SYRVNCAMWDHLKB-UHFFFAOYSA-N 0 0 252.270 3.750 50 5 CHBARN CC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000038080395 174089776 /nfs/dbraw/zinc/08/97/76/174089776.db2.gz AKTYBXOZAHDBBI-UHFFFAOYSA-N 0 0 257.245 3.590 50 5 CHBARN Cc1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000040095669 174190228 /nfs/dbraw/zinc/19/02/28/174190228.db2.gz DKBUAASMXKBKKM-UHFFFAOYSA-N 0 0 299.330 3.533 50 5 CHBARN Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1 ZINC000040545005 174324756 /nfs/dbraw/zinc/32/47/56/174324756.db2.gz FWASBYVCEVWNSY-UHFFFAOYSA-N 0 0 261.733 3.650 50 5 CHBARN C[C@H](CNc1ccc([N+](=O)[O-])s1)N(C)c1ccccc1 ZINC000048999748 175458186 /nfs/dbraw/zinc/45/81/86/175458186.db2.gz OJZLPRNNYQKJNR-LLVKDONJSA-N 0 0 291.376 3.593 50 5 CHBARN Cc1cc(Oc2cnc3ccccc3c2)ncc1[N+](=O)[O-] ZINC000191860383 227200413 /nfs/dbraw/zinc/20/04/13/227200413.db2.gz KNGWJLDSGIERGO-UHFFFAOYSA-N 0 0 281.271 3.639 50 5 CHBARN Cc1ccc(OCc2ccc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000021624691 260121877 /nfs/dbraw/zinc/12/18/77/260121877.db2.gz XSWMTLGPWGVSCC-UHFFFAOYSA-N 0 0 296.685 3.670 50 5 CHBARN Cc1cc(C)c2c(n1)sc1c2[nH]c(=O)c2ccoc21 ZINC000012534383 566846364 /nfs/dbraw/zinc/84/63/64/566846364.db2.gz LXJLCPUTDWUIBW-UHFFFAOYSA-N 0 0 270.313 3.501 50 5 CHBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000037976795 566997389 /nfs/dbraw/zinc/99/73/89/566997389.db2.gz SYGZPJGOCKCKEC-VIFPVBQESA-N 0 0 277.711 3.816 50 5 CHBARN C=C=C/C=C/C=C\Oc1ccc(/C=C/[N+](=O)[O-])cc1OC ZINC000252609385 567065045 /nfs/dbraw/zinc/06/50/45/567065045.db2.gz HSWIVUDLHJULEJ-LRMPSFEFSA-N 0 0 285.299 3.732 50 5 CHBARN O=[N+]([O-])c1cc2oc(-c3cccs3)cc2c([N+](=O)[O-])c1 ZINC000012846573 567115808 /nfs/dbraw/zinc/11/58/08/567115808.db2.gz LWCKSTGJQNRCMZ-UHFFFAOYSA-N 0 0 290.256 3.978 50 5 CHBARN Cc1cc(C(=O)N[C@@H](C)CCCC(C)C)ccc1[N+](=O)[O-] ZINC000002774015 567153676 /nfs/dbraw/zinc/15/36/76/567153676.db2.gz SAVRTMYYEKSCJT-ZDUSSCGKSA-N 0 0 292.379 3.848 50 5 CHBARN CC(C)N1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000057135146 567155395 /nfs/dbraw/zinc/15/53/95/567155395.db2.gz YGTYFHLKZXENQX-UHFFFAOYSA-N 0 0 295.338 3.507 50 5 CHBARN Cc1ccc(C)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC000003302477 567167788 /nfs/dbraw/zinc/16/77/88/567167788.db2.gz QXVLWPBWTFZCFA-UHFFFAOYSA-N 0 0 285.299 3.569 50 5 CHBARN Cc1cc(Nc2ccc([N+](=O)[O-])cc2O)nc2ccccc12 ZINC000004083143 567187388 /nfs/dbraw/zinc/18/73/88/567187388.db2.gz SOIQFRAQHUFMLN-UHFFFAOYSA-N 0 0 295.298 3.901 50 5 CHBARN CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-] ZINC000004098978 567187865 /nfs/dbraw/zinc/18/78/65/567187865.db2.gz CHIFOSRWCNZCFN-UHFFFAOYSA-N 0 0 281.312 3.720 50 5 in-vitro CHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1 ZINC000010223262 567206072 /nfs/dbraw/zinc/20/60/72/567206072.db2.gz RKDSIKHHVUMICU-GFCCVEGCSA-N 0 0 299.330 3.820 50 5 CHBARN CCOc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000046586 567816889 /nfs/dbraw/zinc/81/68/89/567816889.db2.gz NEHZQLZRCRXBAZ-UHFFFAOYSA-N 0 0 254.285 3.653 50 5 CHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1sccc1Cl ZINC000004542616 567869589 /nfs/dbraw/zinc/86/95/89/567869589.db2.gz TVZGILURINMTRH-UHFFFAOYSA-N 0 0 282.708 3.562 50 5 CHBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CC[C@H]1c1ccccc1 ZINC000032927919 567874781 /nfs/dbraw/zinc/87/47/81/567874781.db2.gz HVQKTOCTDGRDGO-AWEZNQCLSA-N 0 0 297.314 3.574 50 5 CHBARN Brc1cnc2c(ccc3cccnc32)c1 ZINC000034596120 567888736 /nfs/dbraw/zinc/88/87/36/567888736.db2.gz OADZHFGJIVKDJN-UHFFFAOYSA-N 0 0 259.106 3.546 50 5 CHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000004690711 567901654 /nfs/dbraw/zinc/90/16/54/567901654.db2.gz DITIDIZTGJXOOC-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN Cc1nn(C)c(Oc2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000000079547 567907267 /nfs/dbraw/zinc/90/72/67/567907267.db2.gz WSZYJXDABPWXCT-UHFFFAOYSA-N 0 0 289.335 3.727 50 5 CHBARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000102968 567911388 /nfs/dbraw/zinc/91/13/88/567911388.db2.gz JOXZBGUQDYQMPE-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=C(NC1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000211770 567925079 /nfs/dbraw/zinc/92/50/79/567925079.db2.gz OGXASEGRFJPDMO-UHFFFAOYSA-N 0 0 296.754 3.701 50 5 CHBARN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000000271538 567926145 /nfs/dbraw/zinc/92/61/45/567926145.db2.gz XPVQWOBSIQJPNV-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000000302587 567926413 /nfs/dbraw/zinc/92/64/13/567926413.db2.gz MKNVJNLBMVPTNJ-UHFFFAOYSA-N 0 0 269.300 3.751 50 5 CHBARN Cc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000335677 567926721 /nfs/dbraw/zinc/92/67/21/567926721.db2.gz XCIDZDUXIOIHMB-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=[N+]([O-])c1ccc(-c2noc(CC3CCCCC3)n2)cc1 ZINC000000316329 567926790 /nfs/dbraw/zinc/92/67/90/567926790.db2.gz YSMULTKZNKOKRG-UHFFFAOYSA-N 0 0 287.319 3.768 50 5 CHBARN Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000000364002 567927148 /nfs/dbraw/zinc/92/71/48/567927148.db2.gz MKOUNTLDPGHNHQ-UHFFFAOYSA-N 0 0 281.271 3.620 50 5 CHBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 ZINC000100482173 567927613 /nfs/dbraw/zinc/92/76/13/567927613.db2.gz ZPANZFWPFCWZHP-QLFBSQMISA-N 0 0 286.331 3.526 50 5 CHBARN CCOc1cc(OCC)c2c(c1)oc(=O)c1ccccc12 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Cc1cc(Nc2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000002698180 570397999 /nfs/dbraw/zinc/39/79/99/570397999.db2.gz PZKKHWWBCHPKJL-UHFFFAOYSA-N 0 0 294.314 3.833 50 5 CHBARN CCSCCS/C=C\c1ccc([N+](=O)[O-])o1 ZINC000710042750 1121472758 /nfs/dbraw/zinc/47/27/58/1121472758.db2.gz LSPQERIPPSVWOQ-WAYWQWQTSA-N 0 0 259.352 3.645 50 5 CHBARN Cc1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C ZINC000001718853 1127479956 /nfs/dbraw/zinc/47/99/56/1127479956.db2.gz MINYPECWDZURGR-UHFFFAOYSA-N 0 0 266.297 3.726 50 5 CHBARN O=[N+]([O-])c1ccc(Br)cc1NC1CCCC1 ZINC000083730431 1118711918 /nfs/dbraw/zinc/71/19/18/1118711918.db2.gz CWXSDTYCVIABLU-UHFFFAOYSA-N 0 0 285.141 3.712 50 5 CHBARN CC(C)CN(CC(C)C)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000033500562 1129294428 /nfs/dbraw/zinc/29/44/28/1129294428.db2.gz PGUIWZAUZDSFGR-UHFFFAOYSA-N 0 0 278.352 3.526 50 5 CHBARN O=C(Nc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000008313381 230370477 /nfs/dbraw/zinc/37/04/77/230370477.db2.gz KVADGBCUHQUWHM-UHFFFAOYSA-N 0 0 294.669 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230372006 /nfs/dbraw/zinc/37/20/06/230372006.db2.gz MNNCNCDNYBRVBT-UHFFFAOYSA-N 0 0 285.141 3.712 50 5 CHBARN Cc1cccc([N+](=O)[O-])c1NCCc1cccs1 ZINC000095963724 185044882 /nfs/dbraw/zinc/04/48/82/185044882.db2.gz GZNRQUBGAIXABS-UHFFFAOYSA-N 0 0 262.334 3.619 50 5 CHBARN O=[N+]([O-])c1cc(Cl)c(Cl)c(Br)c1 ZINC000096024834 185066415 /nfs/dbraw/zinc/06/64/15/185066415.db2.gz RCABTKXOACXLOX-UHFFFAOYSA-N 0 0 270.897 3.664 50 5 CHBARN O=[N+]([O-])c1ccc2oc(CSCc3ccco3)nc2c1 ZINC000083090390 178337789 /nfs/dbraw/zinc/33/77/89/178337789.db2.gz WKRQXBJSEIWTPB-UHFFFAOYSA-N 0 0 290.300 3.762 50 5 CHBARN CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1F ZINC000085477026 179079455 /nfs/dbraw/zinc/07/94/55/179079455.db2.gz ATHJINAANWODPS-UHFFFAOYSA-N 0 0 289.262 3.578 50 5 CHBARN CCCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F ZINC000261493470 190039475 /nfs/dbraw/zinc/03/94/75/190039475.db2.gz BUXLKMJKDOXEKB-UHFFFAOYSA-N 0 0 281.205 3.932 50 5 CHBARN Cc1cc([N+](=O)[O-])c(OCc2ccccc2)cc1F ZINC000261494124 190039547 /nfs/dbraw/zinc/03/95/47/190039547.db2.gz QLEVRWMQZNPUSK-UHFFFAOYSA-N 0 0 261.252 3.621 50 5 CHBARN O=[N+]([O-])c1cc(Cl)c(OC(F)F)cc1Cl ZINC000263623255 190070061 /nfs/dbraw/zinc/07/00/61/190070061.db2.gz FYMMUVUVYJQVRR-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001683205 169741184 /nfs/dbraw/zinc/74/11/84/169741184.db2.gz CLVIIRIMEIEKOQ-OWOJBTEDSA-N 0 0 270.244 3.673 50 5 in-vitro CHBARN CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000002498340 169795997 /nfs/dbraw/zinc/79/59/97/169795997.db2.gz QMVOHFICEFYHMK-UHFFFAOYSA-N 0 0 288.303 3.783 50 5 CHBARN Cc1ccc(NC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000003900129 169922588 /nfs/dbraw/zinc/92/25/88/169922588.db2.gz JAHFPLSVQLCCHU-UHFFFAOYSA-N 0 0 296.282 3.902 50 5 CHBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000004740700 170008899 /nfs/dbraw/zinc/00/88/99/170008899.db2.gz GONKMELUHSNVCH-UHFFFAOYSA-N 0 0 291.690 3.776 50 5 CHBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCCCCC1 ZINC000004740927 170009166 /nfs/dbraw/zinc/00/91/66/170009166.db2.gz SPYMIWWTONUMMT-UHFFFAOYSA-N 0 0 289.379 3.575 50 5 CHBARN O=C1Nc2cc(Cl)ccc2Oc2cc([N+](=O)[O-])ccc21 ZINC000004753630 170012205 /nfs/dbraw/zinc/01/22/05/170012205.db2.gz ANTJQXMLLXFLQX-UHFFFAOYSA-N 0 0 290.662 3.606 50 5 CHBARN CC(C)CN(CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776670 170015611 /nfs/dbraw/zinc/01/56/11/170015611.db2.gz KFATVFRMNKPRCG-UHFFFAOYSA-N 0 0 293.367 3.741 50 5 CHBARN Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1C ZINC000004917831 170041234 /nfs/dbraw/zinc/04/12/34/170041234.db2.gz JQWGHCADJXCFAM-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN CCCN(CCC)c1ccc([N+](=O)[O-])cc1Cl ZINC000005139154 170069891 /nfs/dbraw/zinc/06/98/91/170069891.db2.gz OYJJPFCGGNTTTO-UHFFFAOYSA-N 0 0 256.733 3.875 50 5 CHBARN Cc1ccc(F)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006388726 170197381 /nfs/dbraw/zinc/19/73/81/170197381.db2.gz YSYMZNLEBSZFOI-UHFFFAOYSA-N 0 0 288.278 3.603 50 5 CHBARN O=[N+]([O-])c1ncccc1OCc1cccc2ccccc21 ZINC000007044894 170263707 /nfs/dbraw/zinc/26/37/07/170263707.db2.gz DMKIRBKSYQBBAJ-UHFFFAOYSA-N 0 0 280.283 3.722 50 5 CHBARN CC(=O)c1ccc(Sc2nc(C)c(C)o2)c([N+](=O)[O-])c1 ZINC000012810797 170512432 /nfs/dbraw/zinc/51/24/32/170512432.db2.gz LLMVWXFVHHYXBZ-UHFFFAOYSA-N 0 0 292.316 3.553 50 5 CHBARN Cc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000020897519 171278743 /nfs/dbraw/zinc/27/87/43/171278743.db2.gz WDMRFEUKSVJFBZ-UHFFFAOYSA-N 0 0 297.314 3.667 50 5 CHBARN Cc1c(NC(=O)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000040099094 174190782 /nfs/dbraw/zinc/19/07/82/174190782.db2.gz YPAUTRXCZWZIQN-GFCCVEGCSA-N 0 0 299.330 3.786 50 5 CHBARN Cc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046062630 175391408 /nfs/dbraw/zinc/39/14/08/175391408.db2.gz RGGSIUXELQJGCM-UHFFFAOYSA-N 0 0 299.330 3.567 50 5 CHBARN COc1ccc(F)cc1[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000052426608 175535033 /nfs/dbraw/zinc/53/50/33/175535033.db2.gz SMPFLNOWHGXALI-SNVBAGLBSA-N 0 0 290.294 3.916 50 5 CHBARN O=[N+]([O-])c1cc(Cl)cc(Cl)c1OC(F)F ZINC000072209420 176342827 /nfs/dbraw/zinc/34/28/27/176342827.db2.gz VWSJMZBIFPVBFW-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000024233788 260127202 /nfs/dbraw/zinc/12/72/02/260127202.db2.gz ZQKYWYMUIGUOQW-VIFPVBQESA-N 0 0 291.332 3.539 50 5 CHBARN O=[N+]([O-])c1ccccc1CNc1ccc2c(c1)CCC2 ZINC000000280155 327636756 /nfs/dbraw/zinc/63/67/56/327636756.db2.gz GUFZHPSNMZMJRK-UHFFFAOYSA-N 0 0 268.316 3.696 50 5 CHBARN COC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000001043213 326793113 /nfs/dbraw/zinc/79/31/13/326793113.db2.gz XAGXOZKGWPRDFO-UHFFFAOYSA-N 0 0 296.282 3.530 50 5 CHBARN CC(C)c1c2c[nH]nc2nc2c3ccc(O)cc3oc21 ZINC000096221451 330437781 /nfs/dbraw/zinc/43/77/81/330437781.db2.gz FOZHQKQMKNDSBT-UHFFFAOYSA-N 0 0 267.288 3.686 50 5 biogenic CHBARN Cc1cnc(Oc2cnc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000191860446 534598632 /nfs/dbraw/zinc/59/86/32/534598632.db2.gz ABEKTLALHLTYHL-UHFFFAOYSA-N 0 0 281.271 3.639 50 5 CHBARN CC[C@H](C)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000000999383 566834427 /nfs/dbraw/zinc/83/44/27/566834427.db2.gz VEYCDJFBEGIVRF-STQMWFEESA-N 0 0 292.379 3.942 50 5 CHBARN O=[N+]([O-])c1c(SCc2ccccc2)nc2sccn21 ZINC000001395906 566869611 /nfs/dbraw/zinc/86/96/11/566869611.db2.gz KLYKLGGJVVEYDK-UHFFFAOYSA-N 0 0 291.357 3.596 50 5 CHBARN O=[N+]([O-])c1cc(CO)ccc1Sc1ccc(Cl)cc1 ZINC000001405590 566871939 /nfs/dbraw/zinc/87/19/39/566871939.db2.gz IJTHYJDLZWJVRZ-UHFFFAOYSA-N 0 0 295.747 3.892 50 5 CHBARN O=[N+]([O-])c1ccc2sc(-c3ccccc3)nc2c1 ZINC000001506465 566900022 /nfs/dbraw/zinc/90/00/22/566900022.db2.gz FDKWRKRZEMALSF-UHFFFAOYSA-N 0 0 256.286 3.872 50 5 CHBARN O=[N+]([O-])c1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000001679729 566943967 /nfs/dbraw/zinc/94/39/67/566943967.db2.gz QTQRHYLAOSURLC-UHFFFAOYSA-N 0 0 290.116 3.929 50 5 CHBARN Cc1ccc([N+](=O)[O-])c(Cc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000002049202 566983847 /nfs/dbraw/zinc/98/38/47/566983847.db2.gz XSCMOKDVPSTAJY-UHFFFAOYSA-N 0 0 286.287 3.711 50 5 CHBARN CCCCNc1ccc([N+](=O)[O-])cc1Br ZINC000037131376 567011886 /nfs/dbraw/zinc/01/18/86/567011886.db2.gz FLKLIBMSIJFKHS-UHFFFAOYSA-N 0 0 273.130 3.569 50 5 CHBARN CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037131267 567011978 /nfs/dbraw/zinc/01/19/78/567011978.db2.gz TXUYXYJTSZPMDZ-SSDOTTSWSA-N 0 0 273.130 3.568 50 5 CHBARN CC(C)(C)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170601940 567014180 /nfs/dbraw/zinc/01/41/80/567014180.db2.gz KKVDVUJBUBYPGJ-LLVKDONJSA-N 0 0 298.770 3.642 50 5 CHBARN CC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000017024405 567032476 /nfs/dbraw/zinc/03/24/76/567032476.db2.gz GIZAVLSTESILSC-UHFFFAOYSA-N 0 0 297.742 3.512 50 5 CHBARN O=[N+]([O-])c1cc(NCc2ccc(O)cc2)ccc1Cl ZINC000002156183 567060650 /nfs/dbraw/zinc/06/06/50/567060650.db2.gz POCLXGTTWPFNMG-UHFFFAOYSA-N 0 0 278.695 3.566 50 5 CHBARN CCCCC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000002270981 567074830 /nfs/dbraw/zinc/07/48/30/567074830.db2.gz CHZNUVLWRDIABQ-UHFFFAOYSA-N 0 0 286.125 3.730 50 5 CHBARN Cc1nc(C(C)C)oc1COc1ccc([N+](=O)[O-])cc1 ZINC000253424579 567098232 /nfs/dbraw/zinc/09/82/32/567098232.db2.gz HZKVWPIYQAPATR-UHFFFAOYSA-N 0 0 276.292 3.594 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)cn1 ZINC000019868822 567122513 /nfs/dbraw/zinc/12/25/13/567122513.db2.gz CZCHTQZWQBIPBC-UHFFFAOYSA-N 0 0 295.092 3.545 50 5 CHBARN CC(C)(C)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000020110089 567126561 /nfs/dbraw/zinc/12/65/61/567126561.db2.gz VYZOLMCKAXIWFJ-UHFFFAOYSA-N 0 0 285.347 3.899 50 5 CHBARN Cc1c(=O)c2ccccc2oc1-c1ccc([N+](=O)[O-])cc1 ZINC000002657894 567151327 /nfs/dbraw/zinc/15/13/27/567151327.db2.gz IHBMYWCPERKOHM-UHFFFAOYSA-N 0 0 281.267 3.677 50 5 CHBARN CC(C)CCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002988488 567155015 /nfs/dbraw/zinc/15/50/15/567155015.db2.gz NOLQMVUASNBIPC-GFCCVEGCSA-N 0 0 278.352 3.539 50 5 CHBARN CC(C)(C)C1CCC(OC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000003258334 567164809 /nfs/dbraw/zinc/16/48/09/567164809.db2.gz QYVOXEPCBWRHJM-UHFFFAOYSA-N 0 0 295.335 3.950 50 5 CHBARN O=[N+]([O-])c1ccc(Nc2ccccc2Cl)c2nonc21 ZINC000004016555 567185726 /nfs/dbraw/zinc/18/57/26/567185726.db2.gz DTQIEGZLOXESHQ-UHFFFAOYSA-N 0 0 290.666 3.528 50 5 CHBARN O=[N+]([O-])c1cc(-n2cccc2)ccc1N1CCCCCC1 ZINC000004248046 567193032 /nfs/dbraw/zinc/19/30/32/567193032.db2.gz CZPQOYSVXJPPPC-UHFFFAOYSA-N 0 0 285.347 3.766 50 5 CHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)cc1 ZINC000000431940 567829892 /nfs/dbraw/zinc/82/98/92/567829892.db2.gz FSPKOPHLWSHNNU-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN CCOCCn1c2ccccc2c2nc3ccccc3nc21 ZINC000002463845 567846061 /nfs/dbraw/zinc/84/60/61/567846061.db2.gz SLOFPNVJLRSJNK-UHFFFAOYSA-N 0 0 291.354 3.774 50 5 CHBARN COc1ccc2c(c1)[nH]c(NCc1ccccc1)c2[N+](=O)[O-] ZINC000004352524 567863475 /nfs/dbraw/zinc/86/34/75/567863475.db2.gz NISJXOWWELZARC-UHFFFAOYSA-N 0 0 297.314 3.697 50 5 CHBARN Cc1ccc2nc3oc4ccccc4c(=O)c3cc2c1 ZINC000012788474 567863840 /nfs/dbraw/zinc/86/38/40/567863840.db2.gz LYPQNJHVQOCUNP-UHFFFAOYSA-N 0 0 261.280 3.803 50 5 CHBARN CCCCCNc1ncnc(NCCCCC)c1[N+](=O)[O-] ZINC000004419715 567864898 /nfs/dbraw/zinc/86/48/98/567864898.db2.gz WSERSMDKEWTXIC-UHFFFAOYSA-N 0 0 295.387 3.589 50 5 CHBARN Cc1cc(C)c2[nH]c(=O)cc(-c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000013598476 567866744 /nfs/dbraw/zinc/86/67/44/567866744.db2.gz HQXKRVJSXVJHII-UHFFFAOYSA-N 0 0 294.310 3.720 50 5 CHBARN CC[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CC ZINC000013882939 567895105 /nfs/dbraw/zinc/89/51/05/567895105.db2.gz PTVFYEMHSGOECA-TXEJJXNPSA-N 0 0 278.352 3.634 50 5 CHBARN O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000040844 567905535 /nfs/dbraw/zinc/90/55/35/567905535.db2.gz UQOMOPBNOFSPIK-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN CC(=O)C[C@H](c1ccccc1)C(c1ccccc1)[N+](=O)[O-] ZINC000000051717 567905698 /nfs/dbraw/zinc/90/56/98/567905698.db2.gz RHRITGKYHQRCMF-SJORKVTESA-N 0 0 283.327 3.767 50 5 CHBARN CC(C)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000122729 567923257 /nfs/dbraw/zinc/92/32/57/567923257.db2.gz XKPRGOSIXUZKAC-UHFFFAOYSA-N 0 0 284.315 3.971 50 5 CHBARN Cc1ccc(Sc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000000153674 567923880 /nfs/dbraw/zinc/92/38/80/567923880.db2.gz PISSEQSHPLGJCY-UHFFFAOYSA-N 0 0 273.313 3.867 50 5 CHBARN O=[N+]([O-])c1ccc(-c2ccc(F)c(F)c2F)cc1F ZINC000725272323 567925026 /nfs/dbraw/zinc/92/50/26/567925026.db2.gz OVYXKVUJCAINKE-UHFFFAOYSA-N 0 0 271.169 3.818 50 5 CHBARN Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccccc1[N+](=O)[O-] ZINC000000427733 567930152 /nfs/dbraw/zinc/93/01/52/567930152.db2.gz VDQVYNJTDYTLFB-AWEZNQCLSA-N 0 0 296.326 3.686 50 5 CHBARN O=[N+]([O-])c1c(F)c(F)c2c(c1F)Oc1ccccc1O2 ZINC000000551578 567942944 /nfs/dbraw/zinc/94/29/44/567942944.db2.gz OVFKFMOTQRSXGV-UHFFFAOYSA-N 0 0 283.161 3.910 50 5 CHBARN Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000000373209 570265941 /nfs/dbraw/zinc/26/59/41/570265941.db2.gz XNTJKAAHSIFLNE-UHFFFAOYSA-N 0 0 280.736 3.982 50 5 CHBARN CCCCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002743271 570398391 /nfs/dbraw/zinc/39/83/91/570398391.db2.gz GZPXDSBASHVJEZ-SNVBAGLBSA-N 0 0 298.770 3.947 50 5 CHBARN O=[N+]([O-])c1cccc(Cl)c1N1CCCCCC1 ZINC000238791131 1125538276 /nfs/dbraw/zinc/53/82/76/1125538276.db2.gz LFEUTRFMELOCEL-UHFFFAOYSA-N 0 0 254.717 3.629 50 5 CHBARN Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc21 ZINC000073639441 1125708475 /nfs/dbraw/zinc/70/84/75/1125708475.db2.gz CVVZSAHDRIBXCI-UHFFFAOYSA-N 0 0 272.235 3.851 50 5 CHBARN C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1cnccn1 ZINC000588508934 1119037274 /nfs/dbraw/zinc/03/72/74/1119037274.db2.gz WFKYTDOWPOUASH-RMKNXTFCSA-N 0 0 275.695 3.599 50 5 CHBARN Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000439073 1119575267 /nfs/dbraw/zinc/57/52/67/1119575267.db2.gz PTHZDVRONJBODY-UXBLZVDNSA-N 0 0 296.326 3.864 50 5 CHBARN Cc1c(C=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 ZINC000003879686 1120091617 /nfs/dbraw/zinc/09/16/17/1120091617.db2.gz MWDBTUUEGXVYOJ-UHFFFAOYSA-N 0 0 294.310 3.719 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2ccccc2)c2ncccc12 ZINC000012346345 1120117034 /nfs/dbraw/zinc/11/70/34/1120117034.db2.gz PGJCRNUZEOODHB-UHFFFAOYSA-N 0 0 266.256 3.935 50 5 CHBARN CCCCOC(=O)N=c1[nH]c2ccc([N+](=O)[O-])cc2s1 ZINC000001777646 1125442054 /nfs/dbraw/zinc/44/20/54/1125442054.db2.gz ICJZWRUGWZKZFM-UHFFFAOYSA-N 0 0 295.320 3.553 50 5 CHBARN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-c1ccncc1 ZINC000095835408 185029923 /nfs/dbraw/zinc/02/99/23/185029923.db2.gz FGDOUMVPHJHSCK-UHFFFAOYSA-N 0 0 272.304 3.752 50 5 CHBARN CCCCOc1cc([N+](=O)[O-])cc(Cl)c1OCC ZINC000261493497 190039045 /nfs/dbraw/zinc/03/90/45/190039045.db2.gz CGAYGOCCPZECKJ-UHFFFAOYSA-N 0 0 273.716 3.826 50 5 CHBARN O=[N+]([O-])c1c(Cl)ccc(Cl)c1OC(F)F ZINC000263623115 190070464 /nfs/dbraw/zinc/07/04/64/190070464.db2.gz DTTJJYRMROBZMH-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN COc1ccc(/C=C/[N+](=O)[O-])cc1OCc1ccccc1 ZINC000000056868 169520477 /nfs/dbraw/zinc/52/04/77/169520477.db2.gz JNMKPRLNICRRIV-MDZDMXLPSA-N 0 0 285.299 3.522 50 5 in-vitro CHBARN Cc1c(Cl)cccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000059117 169521601 /nfs/dbraw/zinc/52/16/01/169521601.db2.gz AWRJVWQKTWXMQR-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=[N+]([O-])/C=C/c1cn(-c2ccccc2)c2ccccc12 ZINC000000120129 169543135 /nfs/dbraw/zinc/54/31/35/169543135.db2.gz JHTQRJSIADSEBT-ZHACJKMWSA-N 0 0 264.284 3.878 50 5 CHBARN Cc1noc(/C=C/c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000000359529 169616852 /nfs/dbraw/zinc/61/68/52/169616852.db2.gz MCFYXKRWSJKGFP-QPJJXVBHSA-N 0 0 264.668 3.715 50 5 CHBARN O=[N+]([O-])c1ccc(Cc2c(F)cc(F)cc2F)cc1 ZINC000000435818 169639804 /nfs/dbraw/zinc/63/98/04/169639804.db2.gz FPDDUYHAJBDBCF-UHFFFAOYSA-N 0 0 267.206 3.603 50 5 CHBARN CC(=O)[C@@H](C)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000501114 169657158 /nfs/dbraw/zinc/65/71/58/169657158.db2.gz PBGVVXOPIXJLHN-GFCCVEGCSA-N 0 0 296.322 3.611 50 5 biogenic CHBARN O=[N+]([O-])c1c(Cl)ccc(C(F)(F)F)c1Cl ZINC000002526222 169802395 /nfs/dbraw/zinc/80/23/95/169802395.db2.gz DIMKVPKLQUPPFN-UHFFFAOYSA-N 0 0 259.998 3.920 50 5 CHBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000002898861 169843059 /nfs/dbraw/zinc/84/30/59/169843059.db2.gz GILWENGFFFOTED-UHFFFAOYSA-N 0 0 282.299 3.610 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000003029997 169850546 /nfs/dbraw/zinc/85/05/46/169850546.db2.gz MOZYDTRUZPMVSA-UHFFFAOYSA-N 0 0 294.650 3.949 50 5 CHBARN O=C(CC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000004803007 170019307 /nfs/dbraw/zinc/01/93/07/170019307.db2.gz WRVHVIUADMDAAC-UHFFFAOYSA-N 0 0 262.309 3.504 50 5 CHBARN CCNc1ccc(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000004872039 170034476 /nfs/dbraw/zinc/03/44/76/170034476.db2.gz PZYMORKFWAGWRJ-UHFFFAOYSA-N 0 0 266.244 3.639 50 5 CHBARN Cc1cc([N+](=O)[O-])ccc1NCc1c(F)cccc1F ZINC000004891845 170037028 /nfs/dbraw/zinc/03/70/28/170037028.db2.gz IKLLUGVSDLANHW-UHFFFAOYSA-N 0 0 278.258 3.794 50 5 CHBARN O=[N+]([O-])c1cccc(-c2csc(-c3ccccn3)n2)c1 ZINC000005156865 170071768 /nfs/dbraw/zinc/07/17/68/170071768.db2.gz BCAQPKLXTQEGIL-UHFFFAOYSA-N 0 0 283.312 3.780 50 5 CHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000005512354 170106487 /nfs/dbraw/zinc/10/64/87/170106487.db2.gz DFNZMXHDIVNGEJ-UHFFFAOYSA-N 0 0 291.694 3.892 50 5 CHBARN Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)c1 ZINC000005558575 170113265 /nfs/dbraw/zinc/11/32/65/170113265.db2.gz LUJCQPHYCPOSPK-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000005573878 170115393 /nfs/dbraw/zinc/11/53/93/170115393.db2.gz XVQBQEYCDBPXPA-MRXNPFEDSA-N 0 0 280.327 3.656 50 5 CHBARN Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000005573872 170115431 /nfs/dbraw/zinc/11/54/31/170115431.db2.gz XVQBQEYCDBPXPA-INIZCTEOSA-N 0 0 280.327 3.656 50 5 CHBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000008053715 170316674 /nfs/dbraw/zinc/31/66/74/170316674.db2.gz UQXYYNHIXDCVBY-VIFPVBQESA-N 0 0 277.711 3.816 50 5 CHBARN CCSc1nnc(Sc2ccccc2[N+](=O)[O-])s1 ZINC000008200613 170324073 /nfs/dbraw/zinc/32/40/73/170324073.db2.gz NCDMHLMAPZXAGM-UHFFFAOYSA-N 0 0 299.402 3.710 50 5 CHBARN CC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000009423872 170376230 /nfs/dbraw/zinc/37/62/30/170376230.db2.gz NAKFPOSLTHEIFN-UHFFFAOYSA-N 0 0 289.338 3.635 50 5 CHBARN CCc1ccc(NC(=O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000027317857 171513058 /nfs/dbraw/zinc/51/30/58/171513058.db2.gz GCSLPHRJBBWRSX-UHFFFAOYSA-N 0 0 264.325 3.532 50 5 CHBARN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000037143055 172982239 /nfs/dbraw/zinc/98/22/39/172982239.db2.gz RPLBGLXKNZXRDE-HNNXBMFYSA-N 0 0 271.320 3.799 50 5 CHBARN O=[N+]([O-])c1cccc(NC23CC4CC(CC(C4)C2)C3)c1 ZINC000040545144 174324634 /nfs/dbraw/zinc/32/46/34/174324634.db2.gz AVWCPSYKIJXPED-UHFFFAOYSA-N 0 0 272.348 3.976 50 5 CHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1 ZINC000043343341 175015770 /nfs/dbraw/zinc/01/57/70/175015770.db2.gz LNVWGIMVPZCSHA-UHFFFAOYSA-N 0 0 297.742 3.656 50 5 CHBARN CCCCCOC(=O)CCCCCCCC[N+](=O)[O-] ZINC000045068444 175299861 /nfs/dbraw/zinc/29/98/61/175299861.db2.gz FDVMGVNQDYXCMR-UHFFFAOYSA-N 0 0 273.373 3.727 50 5 CHBARN Cc1cc(C(C)(C)C)cc(C)c1Cn1cc([N+](=O)[O-])cn1 ZINC000058377485 175621677 /nfs/dbraw/zinc/62/16/77/175621677.db2.gz MKUDPHGJVMSSPF-UHFFFAOYSA-N 0 0 287.363 3.754 50 5 CHBARN CC(=O)c1ccc(Oc2cncc(Cl)c2)c([N+](=O)[O-])c1 ZINC000077899863 177308631 /nfs/dbraw/zinc/30/86/31/177308631.db2.gz MMZMYGCXJJBZJX-UHFFFAOYSA-N 0 0 292.678 3.638 50 5 CHBARN O=[N+]([O-])c1ccc(Sc2cccc([N+](=O)[O-])c2)cc1 ZINC000002532485 326797720 /nfs/dbraw/zinc/79/77/20/326797720.db2.gz APMIWAGHJNZECP-UHFFFAOYSA-N 0 0 276.273 3.654 50 5 CHBARN O=[N+]([O-])c1ccc(-c2csc(-c3ccco3)n2)cc1 ZINC000025204461 566834331 /nfs/dbraw/zinc/83/43/31/566834331.db2.gz KNLGBCYKQAPKBC-UHFFFAOYSA-N 0 0 272.285 3.978 50 5 CHBARN CCCCN(CCCC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000002742719 566838787 /nfs/dbraw/zinc/83/87/87/566838787.db2.gz NHDQEYQOXCUVLG-UHFFFAOYSA-N 0 0 292.379 3.946 50 5 CHBARN Cc1ccc2c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1)CC2=O ZINC000075285976 566940847 /nfs/dbraw/zinc/94/08/47/566940847.db2.gz OBTAQMIHVVJLBD-OAHLLOKOSA-N 0 0 283.283 3.610 50 5 CHBARN Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000013002102 566956590 /nfs/dbraw/zinc/95/65/90/566956590.db2.gz IERCLGKQZRUHAO-UHFFFAOYSA-N 0 0 254.698 3.680 50 5 CHBARN Nc1ccc(/C=C/c2ccnc3ccccc23)cc1[N+](=O)[O-] ZINC000036382745 567000655 /nfs/dbraw/zinc/00/06/55/567000655.db2.gz ANSISMVFLOVFOH-FNORWQNLSA-N 0 0 291.310 3.896 50 5 CHBARN Cc1cc(NC(=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1C ZINC000095470999 567136721 /nfs/dbraw/zinc/13/67/21/567136721.db2.gz VAOGJPUFUICQPX-ZDUSSCGKSA-N 0 0 298.342 3.954 50 5 CHBARN O=C(Oc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000002534514 567146033 /nfs/dbraw/zinc/14/60/33/567146033.db2.gz HIVUSVJIKCVKID-UHFFFAOYSA-N 0 0 295.653 3.607 50 5 CHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC000057659264 567160894 /nfs/dbraw/zinc/16/08/94/567160894.db2.gz MXHCDHLTCGDXSR-UHFFFAOYSA-N 0 0 282.708 3.562 50 5 CHBARN CN(Sc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000003189116 567163316 /nfs/dbraw/zinc/16/33/16/567163316.db2.gz HPELWCMWIWGEGC-UHFFFAOYSA-N 0 0 260.318 3.738 50 5 CHBARN Cc1cc(NC(=O)c2cccs2)c([N+](=O)[O-])cc1C ZINC000004300153 567191450 /nfs/dbraw/zinc/19/14/50/567191450.db2.gz MNZIZANDSLWKRG-UHFFFAOYSA-N 0 0 276.317 3.525 50 5 CHBARN COc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004309322 567191502 /nfs/dbraw/zinc/19/15/02/567191502.db2.gz PUGDKZBPMHPDOZ-UHFFFAOYSA-N 0 0 272.304 3.524 50 5 CHBARN CCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000000544134 567833418 /nfs/dbraw/zinc/83/34/18/567833418.db2.gz FYQRJCWTZVXJEX-UHFFFAOYSA-N 0 0 277.327 3.766 50 5 CHBARN CO[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004557353 567870031 /nfs/dbraw/zinc/87/00/31/567870031.db2.gz GBDHCPARITZTJQ-HNNXBMFYSA-N 0 0 257.289 3.525 50 5 CHBARN O=[N+]([O-])c1ccc(/C=C\c2cccs2)c([N+](=O)[O-])c1 ZINC000004582919 567871718 /nfs/dbraw/zinc/87/17/18/567871718.db2.gz YBAXMZWUGOEWPM-XQRVVYSFSA-N 0 0 276.273 3.735 50 5 CHBARN O=[N+]([O-])c1sc2ccccc2c1N1CCCCC1 ZINC000004713678 567902549 /nfs/dbraw/zinc/90/25/49/567902549.db2.gz PUXDFAMXPWBYEY-UHFFFAOYSA-N 0 0 262.334 3.800 50 5 CHBARN O=[N+]([O-])c1ccc2oc([C@H](O)c3ccc(F)cc3)cc2c1 ZINC000000083758 567907415 /nfs/dbraw/zinc/90/74/15/567907415.db2.gz WBFAIEJVVRMXNW-OAHLLOKOSA-N 0 0 287.246 3.562 50 5 CHBARN O=C(Nc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000000121127 567923297 /nfs/dbraw/zinc/92/32/97/567923297.db2.gz LRMWSGLZOBEIFY-UHFFFAOYSA-N 0 0 276.679 3.501 50 5 CHBARN O=[N+]([O-])c1cccc(-c2csc(-c3cccnc3)n2)c1 ZINC000000171883 567924118 /nfs/dbraw/zinc/92/41/18/567924118.db2.gz IIVZOUPWCCBTGK-UHFFFAOYSA-N 0 0 283.312 3.780 50 5 CHBARN Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000208101 567925131 /nfs/dbraw/zinc/92/51/31/567925131.db2.gz ZVRZLRISWZPOQW-UHFFFAOYSA-N 0 0 281.271 3.620 50 5 CHBARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000259041 567925778 /nfs/dbraw/zinc/92/57/78/567925778.db2.gz AKRDGBGDSLJKGO-UWVGGRQHSA-N 0 0 296.754 3.651 50 5 CHBARN COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000000255878 567925868 /nfs/dbraw/zinc/92/58/68/567925868.db2.gz ZKOJHCNGICYBHV-ZZXKWVIFSA-N 0 0 285.299 3.782 50 5 biogenic CHBARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000000300949 567926488 /nfs/dbraw/zinc/92/64/88/567926488.db2.gz DFDDCJNNUNSRLF-CABCVRRESA-N 0 0 296.326 3.645 50 5 CHBARN O=[N+]([O-])c1cccc(-c2csc(C(F)(F)F)n2)c1 ZINC000221526170 567930747 /nfs/dbraw/zinc/93/07/47/567930747.db2.gz RTGRZWBWJOMKGP-UHFFFAOYSA-N 0 0 274.223 3.737 50 5 CHBARN Cc1cc(C(=O)N(CC(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000000476045 567932798 /nfs/dbraw/zinc/93/27/98/567932798.db2.gz XWDSGPSFYKLLPN-UHFFFAOYSA-N 0 0 292.379 3.657 50 5 CHBARN CSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000000544652 567942825 /nfs/dbraw/zinc/94/28/25/567942825.db2.gz GIUCGILNULGOTJ-UHFFFAOYSA-N 0 0 299.355 3.715 50 5 CHBARN Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000579812 567944085 /nfs/dbraw/zinc/94/40/85/567944085.db2.gz SLCFQZFVOGQVLL-LBPRGKRZSA-N 0 0 284.315 3.645 50 5 CHBARN Cc1ccc(NC(=O)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000000372930 570265938 /nfs/dbraw/zinc/26/59/38/570265938.db2.gz TWYAVLSTPPIRBG-UHFFFAOYSA-N 0 0 298.342 3.865 50 5 CHBARN CSc1ccccc1NC=Cc1onc(C)c1[N+](=O)[O-] ZINC000100329427 570267067 /nfs/dbraw/zinc/26/70/67/570267067.db2.gz RNLYNQZHSKBTLO-BQYQJAHWSA-N 0 0 291.332 3.696 50 5 CHBARN CCC(CC)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000461775 570272752 /nfs/dbraw/zinc/27/27/52/570272752.db2.gz YURQDQPAVBWRPC-UHFFFAOYSA-N 0 0 270.716 3.623 50 5 CHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000000466820 570272754 /nfs/dbraw/zinc/27/27/54/570272754.db2.gz LFBCJXLMWJCDSZ-UHFFFAOYSA-N 0 0 291.690 3.605 50 5 CHBARN C[C@@H]1Cc2ccccc2N1Cc1ccccc1[N+](=O)[O-] ZINC000015255390 570326001 /nfs/dbraw/zinc/32/60/01/570326001.db2.gz LCZSCWYMAIXKRY-GFCCVEGCSA-N 0 0 268.316 3.546 50 5 CHBARN CC(C)(C)CC(C)(C)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000079046004 570396230 /nfs/dbraw/zinc/39/62/30/570396230.db2.gz ROFKAXGIHJDNJS-UHFFFAOYSA-N 0 0 280.368 3.605 50 5 CHBARN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3[nH]2)c1 ZINC000003845343 570400728 /nfs/dbraw/zinc/40/07/28/570400728.db2.gz FGIQAVBDULQHRW-CMDGGOBGSA-N 0 0 265.272 3.642 50 5 CHBARN CCC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1 ZINC000039931263 570401361 /nfs/dbraw/zinc/40/13/61/570401361.db2.gz VAVAFTYZTNDONA-UHFFFAOYSA-N 0 0 283.352 3.763 50 5 CHBARN CCCCOc1ccc([N+](=O)[O-])cc1Br ZINC000074937711 1125713334 /nfs/dbraw/zinc/71/33/34/1125713334.db2.gz GKSVZLWXYJLMNN-UHFFFAOYSA-N 0 0 274.114 3.536 50 5 CHBARN O=C1Nc2ccccc2/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000003350027 1127226503 /nfs/dbraw/zinc/22/65/03/1127226503.db2.gz VTEMHGGPYKYALH-UHFVGQSGSA-N 0 0 292.294 3.644 50 5 CHBARN Cc1cc([N+](=O)[O-])cc(C)c1OCc1ccccc1 ZINC000220309477 1118713177 /nfs/dbraw/zinc/71/31/77/1118713177.db2.gz DEGWVJQDBXRFKR-UHFFFAOYSA-N 0 0 257.289 3.791 50 5 CHBARN Cc1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000007465615 230370238 /nfs/dbraw/zinc/37/02/38/230370238.db2.gz QTOMGMYIROOQSO-UHFFFAOYSA-N 0 0 284.271 3.623 50 5 CHBARN Cc1noc(C=CNc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000100151943 185707173 /nfs/dbraw/zinc/70/71/73/185707173.db2.gz IPVPPKKMLPNYIG-VOTSOKGWSA-N 0 0 279.683 3.627 50 5 CHBARN CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000102965 169537296 /nfs/dbraw/zinc/53/72/96/169537296.db2.gz UQFOEDBDUQPDCI-UHFFFAOYSA-N 0 0 284.315 3.570 50 5 CHBARN O=[N+]([O-])c1ccc(F)c(F)c1OC(Cl)(Cl)Cl ZINC000095215429 184947596 /nfs/dbraw/zinc/94/75/96/184947596.db2.gz PCMALVNRICWFNV-UHFFFAOYSA-N 0 0 292.452 3.580 50 5 CHBARN FC(F)(F)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000003958739 169926980 /nfs/dbraw/zinc/92/69/80/169926980.db2.gz VEVCWYBOXUICFH-UHFFFAOYSA-N 0 0 288.232 3.678 50 5 CHBARN O=[N+]([O-])c1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000004708886 170003040 /nfs/dbraw/zinc/00/30/40/170003040.db2.gz QHBZIJTYURZGOY-UHFFFAOYSA-N 0 0 272.348 3.976 50 5 CHBARN 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/nfs/dbraw/zinc/63/89/13/169638913.db2.gz ZGBMHQUNULGQBP-UHFFFAOYSA-N 0 0 281.271 3.620 50 5 CHBARN CC(=O)Nc1cc(Oc2cccc(C)c2)cc([N+](=O)[O-])c1 ZINC000000432670 169639223 /nfs/dbraw/zinc/63/92/23/169639223.db2.gz NRQAVNLXDYPFON-UHFFFAOYSA-N 0 0 286.287 3.654 50 5 CHBARN O=C(CCCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000458353 169646222 /nfs/dbraw/zinc/64/62/22/169646222.db2.gz IBPOYKXQXZSYSI-UHFFFAOYSA-N 0 0 284.315 3.556 50 5 CHBARN Cc1ccc(-c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000001164012 169691099 /nfs/dbraw/zinc/69/10/99/169691099.db2.gz YQCIMNYDLYOEBI-UHFFFAOYSA-N 0 0 254.245 3.711 50 5 CHBARN CC(=O)c1c2ccccc2c2n(C(C)=O)c3ccccc3n12 ZINC000001323222 169695017 /nfs/dbraw/zinc/69/50/17/169695017.db2.gz MJOGBULSMPGPFJ-UHFFFAOYSA-N 0 0 290.322 3.910 50 5 CHBARN CC(C)CC[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000084510289 135033835 /nfs/dbraw/zinc/03/38/35/135033835.db2.gz WUDUIUINJVHILF-CYBMUJFWSA-N 0 0 277.368 3.785 50 5 CHBARN O=[N+]([O-])c1ccc2[nH]c(C=Cc3ccccc3)nc2c1 ZINC000004256212 169949896 /nfs/dbraw/zinc/94/98/96/169949896.db2.gz SZVBXPRXXQDRKI-RMKNXTFCSA-N 0 0 265.272 3.642 50 5 CHBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000004948833 170044318 /nfs/dbraw/zinc/04/43/18/170044318.db2.gz PUABAHPYKYPLMP-UHFFFAOYSA-N 0 0 282.708 3.562 50 5 CHBARN O=[N+]([O-])c1ccc(Br)c2ccccc21 ZINC000005517953 170107319 /nfs/dbraw/zinc/10/73/19/170107319.db2.gz OUENKLKXUFZIPK-UHFFFAOYSA-N 0 0 252.067 3.511 50 5 CHBARN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2C)c1 ZINC000006522149 170209363 /nfs/dbraw/zinc/20/93/63/170209363.db2.gz LZKPBVCZCDIJCG-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000007045130 170263639 /nfs/dbraw/zinc/26/36/39/170263639.db2.gz HFNNGPYZTULPIV-SECBINFHSA-N 0 0 278.695 3.783 50 5 CHBARN Cc1c(NC(=O)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000007889166 170306001 /nfs/dbraw/zinc/30/60/01/170306001.db2.gz HOTYRQCJNCJNIW-UHFFFAOYSA-N 0 0 296.326 3.644 50 5 CHBARN O=[N+]([O-])c1ccc(NCc2ccccc2)c(Cl)c1 ZINC000008078750 170317955 /nfs/dbraw/zinc/31/79/55/170317955.db2.gz RXDKWNPDGOXZON-UHFFFAOYSA-N 0 0 262.696 3.860 50 5 CHBARN CC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000008079695 170318277 /nfs/dbraw/zinc/31/82/77/170318277.db2.gz LMJUIIVLTHMZRA-UHFFFAOYSA-N 0 0 257.245 3.590 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000008146711 170321626 /nfs/dbraw/zinc/32/16/26/170321626.db2.gz KEGJCCMJKRDRMS-UHFFFAOYSA-N 0 0 293.662 3.769 50 5 CHBARN Cc1csc(CNc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000009315310 170371412 /nfs/dbraw/zinc/37/14/12/170371412.db2.gz RUUDFATZBKZZAF-UHFFFAOYSA-N 0 0 283.740 3.625 50 5 CHBARN O=[N+]([O-])c1cccc(-c2n[nH]c(C(F)(F)F)c2Cl)c1 ZINC000012428903 170487969 /nfs/dbraw/zinc/48/79/69/170487969.db2.gz NZPYUOOFRPFXJV-UHFFFAOYSA-N 0 0 291.616 3.657 50 5 CHBARN Cc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 ZINC000023030388 171406410 /nfs/dbraw/zinc/40/64/10/171406410.db2.gz WAHLDGNLCJTHTP-OAHLLOKOSA-N 0 0 283.331 3.640 50 5 CHBARN Cc1nc(-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)no1 ZINC000026227210 171476285 /nfs/dbraw/zinc/47/62/85/171476285.db2.gz JAVPKUSJZSZIJC-UHFFFAOYSA-N 0 0 297.270 3.746 50 5 CHBARN CC(C)(C)OC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000035635905 172320410 /nfs/dbraw/zinc/32/04/10/172320410.db2.gz OSIGQJOBXWXDQR-UHFFFAOYSA-N 0 0 290.678 3.734 50 5 CHBARN Cc1cc(Oc2nccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000040520053 174309486 /nfs/dbraw/zinc/30/94/86/174309486.db2.gz YTGGRARKUUMHMV-UHFFFAOYSA-N 0 0 299.208 3.504 50 5 CHBARN O=[N+]([O-])c1ccc(NCc2cccc3ccccc32)nc1 ZINC000050197805 175511701 /nfs/dbraw/zinc/51/17/01/175511701.db2.gz ZTMSKRLXBZBHFU-UHFFFAOYSA-N 0 0 279.299 3.755 50 5 CHBARN Cc1cc([N+](=O)[O-])cc2nc(-c3ccccc3)oc21 ZINC000073639252 176480519 /nfs/dbraw/zinc/48/05/19/176480519.db2.gz PCYGYWBATFRGRT-UHFFFAOYSA-N 0 0 254.245 3.711 50 5 CHBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000000858557 566821741 /nfs/dbraw/zinc/82/17/41/566821741.db2.gz LNQLKXBGJXRHOH-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=[N+]([O-])c1ccc(Sc2ccsc2)c([N+](=O)[O-])c1 ZINC000001701427 566947294 /nfs/dbraw/zinc/94/72/94/566947294.db2.gz GTQJGQZDMPQZOP-UHFFFAOYSA-N 0 0 282.302 3.716 50 5 CHBARN O=[N+]([O-])c1ccc(CSc2ncnc3ccccc32)cc1 ZINC000003255298 567164459 /nfs/dbraw/zinc/16/44/59/567164459.db2.gz YVAKWSMPQOHQDS-UHFFFAOYSA-N 0 0 297.339 3.830 50 5 CHBARN CC(C)N(C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000003305498 567167587 /nfs/dbraw/zinc/16/75/87/567167587.db2.gz IECYSRONWMAWKC-UHFFFAOYSA-N 0 0 290.344 3.712 50 5 CHBARN O=C(Nc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000003566220 567177961 /nfs/dbraw/zinc/17/79/61/567177961.db2.gz SLZJGHHDGUVCMW-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000004036907 567183804 /nfs/dbraw/zinc/18/38/04/567183804.db2.gz PBVITZSQHHOLMK-UHFFFAOYSA-N 0 0 282.255 3.593 50 5 CHBARN COC(=O)c1cc2c(ccc3c4ccccc4oc23)[nH]1 ZINC000004028060 567185217 /nfs/dbraw/zinc/18/52/17/567185217.db2.gz XQXRBJXNKLMILI-UHFFFAOYSA-N 0 0 265.268 3.854 50 5 biogenic CHBARN O=[N+]([O-])c1ccc(OCc2ccccc2Cl)cc1 ZINC000000095253 567818045 /nfs/dbraw/zinc/81/80/45/567818045.db2.gz LDIFYZGCGRNXGX-UHFFFAOYSA-N 0 0 263.680 3.827 50 5 CHBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000000055062 567817104 /nfs/dbraw/zinc/81/71/04/567817104.db2.gz YDGNRJKNDGBMCL-MDZDMXLPSA-N 0 0 285.299 3.522 50 5 in-vitro CHBARN CC(C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000063679 567817370 /nfs/dbraw/zinc/81/73/70/567817370.db2.gz CKXQHFRBZVPIRG-UHFFFAOYSA-N 0 0 282.295 3.508 50 5 CHBARN CC(=O)n1c2ccc(F)cc2c2nc3ccccc3nc21 ZINC000000075962 567817599 /nfs/dbraw/zinc/81/75/99/567817599.db2.gz OBTLGGGHHWLVPT-UHFFFAOYSA-N 0 0 279.274 3.537 50 5 CHBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccccc1 ZINC000000463720 567831691 /nfs/dbraw/zinc/83/16/91/567831691.db2.gz SLDJHSKMBZMZBZ-UHFFFAOYSA-N 0 0 299.329 3.504 50 5 CHBARN O=c1c2ccccc2oc2ccc(C(F)(F)F)cc21 ZINC000004290223 567856562 /nfs/dbraw/zinc/85/65/62/567856562.db2.gz LEOGBDMNMFJKRV-UHFFFAOYSA-N 0 0 264.202 3.965 50 5 CHBARN COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000097757308 567861952 /nfs/dbraw/zinc/86/19/52/567861952.db2.gz KDLWDMODVKGEFK-UHFFFAOYSA-N 0 0 291.690 3.702 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000043148789 567876893 /nfs/dbraw/zinc/87/68/93/567876893.db2.gz HNUHBCFHESIMEW-PWSUYJOCSA-N 0 0 291.351 3.603 50 5 CHBARN O=c1c2ccccc2cc2sc3ccccc3n21 ZINC000023673574 567882091 /nfs/dbraw/zinc/88/20/91/567882091.db2.gz NRFZZIVVZVVOED-UHFFFAOYSA-N 0 0 251.310 3.667 50 5 CHBARN CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000032958662 567884143 /nfs/dbraw/zinc/88/41/43/567884143.db2.gz NOHXSOMLPXVXOB-UHFFFAOYSA-N 0 0 294.357 3.631 50 5 CHBARN Cc1ccc(NC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1 ZINC000004646927 567897615 /nfs/dbraw/zinc/89/76/15/567897615.db2.gz QHMBPYUXAWTSBS-FNORWQNLSA-N 0 0 288.328 3.617 50 5 CHBARN C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000004713252 567902657 /nfs/dbraw/zinc/90/26/57/567902657.db2.gz KMYZJLUTDKTVNI-SECBINFHSA-N 0 0 288.269 3.850 50 5 CHBARN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000000053346 567905689 /nfs/dbraw/zinc/90/56/89/567905689.db2.gz NTQBCZPFTAELGC-HNNXBMFYSA-N 0 0 266.300 3.577 50 5 CHBARN Cc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1C ZINC000000082478 567907593 /nfs/dbraw/zinc/90/75/93/567907593.db2.gz LWJAWUVHRLRRIU-UHFFFAOYSA-N 0 0 288.278 3.603 50 5 CHBARN CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000128528 567923305 /nfs/dbraw/zinc/92/33/05/567923305.db2.gz ILZBKIQIXKBKNG-UHFFFAOYSA-N 0 0 284.315 3.971 50 5 CHBARN O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000146248 567923448 /nfs/dbraw/zinc/92/34/48/567923448.db2.gz QCLAIZABNSSLKI-UHFFFAOYSA-N 0 0 296.754 3.701 50 5 CHBARN CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000142981 567923516 /nfs/dbraw/zinc/92/35/16/567923516.db2.gz IRWXEFXORSDYQA-UHFFFAOYSA-N 0 0 257.245 3.590 50 5 CHBARN Cc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 ZINC000000130767 567923581 /nfs/dbraw/zinc/92/35/81/567923581.db2.gz IFTMBCNWEIHIPC-OAHLLOKOSA-N 0 0 288.372 3.687 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C(C)(C)C1(C)C ZINC000000130651 567923680 /nfs/dbraw/zinc/92/36/80/567923680.db2.gz VTTUUKHDPVWHKM-UHFFFAOYSA-N 0 0 276.336 3.524 50 5 CHBARN O=C(c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000000265403 567925698 /nfs/dbraw/zinc/92/56/98/567925698.db2.gz HGMZGSVPMAAXOO-UHFFFAOYSA-N 0 0 267.240 3.572 50 5 CHBARN Cc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000290680 567926251 /nfs/dbraw/zinc/92/62/51/567926251.db2.gz OUMFFBVIGPAQHW-MDZDMXLPSA-N 0 0 282.299 3.555 50 5 CHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000300545 567926385 /nfs/dbraw/zinc/92/63/85/567926385.db2.gz WVMKIXPORUXIMJ-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=[N+]([O-])c1c(Br)sc2ccccc21 ZINC000000319610 567926751 /nfs/dbraw/zinc/92/67/51/567926751.db2.gz CJBFUXJMUCCEEV-UHFFFAOYSA-N 0 0 258.096 3.572 50 5 CHBARN Cc1cccc(C)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000450180 567931008 /nfs/dbraw/zinc/93/10/08/567931008.db2.gz UQLOSCAWBRMYOG-DHZHZOJOSA-N 0 0 296.326 3.864 50 5 CHBARN Cc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000000455429 567931141 /nfs/dbraw/zinc/93/11/41/567931141.db2.gz PCXYSOBSSAPRTP-UHFFFAOYSA-N 0 0 281.271 3.620 50 5 CHBARN Cc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000061997448 567931824 /nfs/dbraw/zinc/93/18/24/567931824.db2.gz KALYJYKFJXQGPO-UHFFFAOYSA-N 0 0 254.245 3.711 50 5 CHBARN Cc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000482806 567938277 /nfs/dbraw/zinc/93/82/77/567938277.db2.gz GBNYIAJHSXOXQJ-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 ZINC000000514653 567941674 /nfs/dbraw/zinc/94/16/74/567941674.db2.gz XEADKQZHEMCUTM-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN Cc1ccc(C)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000000514708 567941686 /nfs/dbraw/zinc/94/16/86/567941686.db2.gz HFQCQJJPPNSMMK-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN O=C(CCC1CCCC1)Nc1ccc([N+](=O)[O-])c(F)c1 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279.242 3.760 50 5 CHBARN O=C(Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000128564 567923287 /nfs/dbraw/zinc/92/32/87/567923287.db2.gz PNLAPVODXCSKRH-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN O=C(Nc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000000121143 567923295 /nfs/dbraw/zinc/92/32/95/567923295.db2.gz XANFSSUIZIYTAQ-UHFFFAOYSA-N 0 0 276.679 3.501 50 5 CHBARN Cc1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000000166505 567924161 /nfs/dbraw/zinc/92/41/61/567924161.db2.gz HIEUAGPXJAFZGG-UHFFFAOYSA-N 0 0 264.668 3.744 50 5 CHBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000000255423 567925701 /nfs/dbraw/zinc/92/57/01/567925701.db2.gz YKADMOAEJSGWOL-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN Cc1cc(Oc2cc(N)cc([N+](=O)[O-])c2)ccc1Cl ZINC000000265785 567925731 /nfs/dbraw/zinc/92/57/31/567925731.db2.gz VHJIPFYGZDZQOA-UHFFFAOYSA-N 0 0 278.695 3.931 50 5 CHBARN O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000260854 567925880 /nfs/dbraw/zinc/92/58/80/567925880.db2.gz ZMNABCUFGXASJV-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN O=[N+]([O-])c1cccc(CNc2ccc3c(c2)CCC3)c1 ZINC000000280007 567926157 /nfs/dbraw/zinc/92/61/57/567926157.db2.gz WRCBXIRPZUQVIG-UHFFFAOYSA-N 0 0 268.316 3.696 50 5 CHBARN O=[N+]([O-])c1ccc(-c2nc(=S)c3c(o2)CCCC3)cc1 ZINC000000306377 567926349 /nfs/dbraw/zinc/92/63/49/567926349.db2.gz QZRQOAJTTFSGKC-UHFFFAOYSA-N 0 0 288.328 3.858 50 5 CHBARN CC(=O)C(C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000101152837 567940864 /nfs/dbraw/zinc/94/08/64/567940864.db2.gz LNMALLAZHLMTPH-PTNGSMBKSA-N 0 0 298.298 3.523 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1 ZINC000000587955 567944328 /nfs/dbraw/zinc/94/43/28/567944328.db2.gz TUGVCNAXKCBMIU-CSKARUKUSA-N 0 0 282.299 3.555 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NCc1cccc(F)c1 ZINC000024584729 567944583 /nfs/dbraw/zinc/94/45/83/567944583.db2.gz DQUULBXYPGZMEH-UHFFFAOYSA-N 0 0 260.268 3.654 50 5 CHBARN CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000376378 570265814 /nfs/dbraw/zinc/26/58/14/570265814.db2.gz ZDAGWBLWAUAACD-NSHDSACASA-N 0 0 296.754 3.653 50 5 CHBARN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000000370814 570265996 /nfs/dbraw/zinc/26/59/96/570265996.db2.gz KDFHXRRTIMOTRR-OAHLLOKOSA-N 0 0 298.342 3.784 50 5 CHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F ZINC000000437408 570270967 /nfs/dbraw/zinc/27/09/67/570270967.db2.gz JPKRRHBGUIIOBR-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2o1 ZINC000000463161 570272742 /nfs/dbraw/zinc/27/27/42/570272742.db2.gz HHYURZZZQAYGET-UHFFFAOYSA-N 0 0 296.282 3.902 50 5 CHBARN CC(=O)Nc1c2ccccc2n2c1c1ccccc1nc2C ZINC000000490038 570273934 /nfs/dbraw/zinc/27/39/34/570273934.db2.gz JXZPRJSZRFWAMF-UHFFFAOYSA-N 0 0 289.338 3.908 50 5 biogenic CHBARN CC(C)(C)c1cc([N+](=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000019595547 570396097 /nfs/dbraw/zinc/39/60/97/570396097.db2.gz GVKJWGRAPDVEMC-UHFFFAOYSA-N 0 0 251.326 3.895 50 5 CHBARN Cc1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000003877746 570400488 /nfs/dbraw/zinc/40/04/88/570400488.db2.gz ITNZSTRESIXIHL-UHFFFAOYSA-N 0 0 279.296 3.556 50 5 CHBARN Cc1ccn(O[C@H](C)c2cccc([N+](=O)[O-])c2)c(=S)c1 ZINC000170613132 1127626888 /nfs/dbraw/zinc/62/68/88/1127626888.db2.gz VBQUYLZDFZRWNG-LLVKDONJSA-N 0 0 290.344 3.624 50 5 CHBARN Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000000435046 1119575039 /nfs/dbraw/zinc/57/50/39/1119575039.db2.gz OTMXSZCCSFYOKJ-UHFFFAOYSA-N 0 0 254.245 3.711 50 5 CHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000000437630 1119575234 /nfs/dbraw/zinc/57/52/34/1119575234.db2.gz IMCXEABYULATDP-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000000466849 1119624331 /nfs/dbraw/zinc/62/43/31/1119624331.db2.gz VIYBOOLZRPKMSZ-UHFFFAOYSA-N 0 0 291.690 3.605 50 5 CHBARN Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000000610460 1120820840 /nfs/dbraw/zinc/82/08/40/1120820840.db2.gz NEIPSEBALZZPPR-UHFFFAOYSA-N 0 0 289.266 3.686 50 5 CHBARN Cc1c(NC(=O)CCc2cccs2)cccc1[N+](=O)[O-] ZINC000012599215 1122739614 /nfs/dbraw/zinc/73/96/14/1122739614.db2.gz KFVCLRGSJQOGDU-UHFFFAOYSA-N 0 0 290.344 3.536 50 5 CHBARN Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1cccs1 ZINC000001463350 1123491274 /nfs/dbraw/zinc/49/12/74/1123491274.db2.gz OXVDVBZCVBPDOM-LBPRGKRZSA-N 0 0 286.356 3.946 50 5 CHBARN CCOc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000471635 230366145 /nfs/dbraw/zinc/36/61/45/230366145.db2.gz YRIYZGDKWZVLSA-UHFFFAOYSA-N 0 0 273.288 3.573 50 5 CHBARN Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000001790904 230367154 /nfs/dbraw/zinc/36/71/54/230367154.db2.gz LEYYVMMEUSYDHG-UHFFFAOYSA-N 0 0 285.299 3.569 50 5 CHBARN O=[N+]([O-])c1ccc(N2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004420422 136394293 /nfs/dbraw/zinc/39/42/93/136394293.db2.gz FQCIOGVZMICYQN-UHFFFAOYSA-N 0 0 299.286 3.587 50 5 CHBARN COc1cc(Cl)ccc1-c1cccc([N+](=O)[O-])c1 ZINC000085476832 179079746 /nfs/dbraw/zinc/07/97/46/179079746.db2.gz XXTBLJLVGKEIBZ-UHFFFAOYSA-N 0 0 263.680 3.924 50 5 CHBARN O=[N+]([O-])c1cc(Cl)c(Cl)c(OC(F)F)c1 ZINC000263624083 190070637 /nfs/dbraw/zinc/07/06/37/190070637.db2.gz NFSFAXQOUQTDAN-UHFFFAOYSA-N 0 0 258.007 3.503 50 5 CHBARN Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C ZINC000000043903 169515486 /nfs/dbraw/zinc/51/54/86/169515486.db2.gz AUXFNOMDTIZTSH-VQHVLOKHSA-N 0 0 296.326 3.864 50 5 CHBARN O=[N+]([O-])c1cccc(Nc2nc(-c3ccccn3)cs2)c1 ZINC000000190397 169569482 /nfs/dbraw/zinc/56/94/82/169569482.db2.gz PJDOWMMLUSVPSR-UHFFFAOYSA-N 0 0 298.327 3.857 50 5 CHBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000000315955 169606533 /nfs/dbraw/zinc/60/65/33/169606533.db2.gz BWZOHFWHBDXMRA-MRXNPFEDSA-N 0 0 296.326 3.585 50 5 CHBARN CCC(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000000472013 169649668 /nfs/dbraw/zinc/64/96/68/169649668.db2.gz QFJCJNHIEDBCOV-UHFFFAOYSA-N 0 0 285.299 3.767 50 5 CHBARN Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1C ZINC000000466494 169648369 /nfs/dbraw/zinc/64/83/69/169648369.db2.gz DJZFLENYUYQHRQ-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1ccc(C)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000000514705 169660081 /nfs/dbraw/zinc/66/00/81/169660081.db2.gz NWTHLZRGNNBIID-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015443348 134694151 /nfs/dbraw/zinc/69/41/51/134694151.db2.gz JIKFZZJFHJXBMV-UHFFFAOYSA-N 0 0 288.269 3.850 50 5 CHBARN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000002327993 169785585 /nfs/dbraw/zinc/78/55/85/169785585.db2.gz DELUHBXUBDRTAX-HNNXBMFYSA-N 0 0 284.290 3.716 50 5 CHBARN COc1ccccc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000002431537 169791546 /nfs/dbraw/zinc/79/15/46/169791546.db2.gz KKSZVUGVKVEOAK-HNNXBMFYSA-N 0 0 296.326 3.585 50 5 CHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC(F)(F)F ZINC000002540388 169806378 /nfs/dbraw/zinc/80/63/78/169806378.db2.gz DRNXQIODJPOKFO-UHFFFAOYSA-N 0 0 275.104 3.512 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2ccc(Br)o2)cc1 ZINC000003199996 169868083 /nfs/dbraw/zinc/86/80/83/169868083.db2.gz UOHVSYMQASLEKN-UHFFFAOYSA-N 0 0 284.065 3.743 50 5 CHBARN O=[N+]([O-])c1ccc(NCCc2ccccc2)c2ncccc12 ZINC000003894031 169921125 /nfs/dbraw/zinc/92/11/25/169921125.db2.gz GNWCPHFRLJAENM-UHFFFAOYSA-N 0 0 293.326 3.798 50 5 CHBARN Cc1ccc(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000004179975 169941808 /nfs/dbraw/zinc/94/18/08/169941808.db2.gz XAODRSWTRYJLPG-OAHLLOKOSA-N 0 0 299.355 3.600 50 5 CHBARN O=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000004739221 170008105 /nfs/dbraw/zinc/00/81/05/170008105.db2.gz WAJKXZVSUOJIKU-UHFFFAOYSA-N 0 0 291.690 3.640 50 5 CHBARN COC(=O)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000004743811 170009646 /nfs/dbraw/zinc/00/96/46/170009646.db2.gz MUYZSHGCIHLPAM-UHFFFAOYSA-N 0 0 297.266 3.658 50 5 CHBARN CC(=O)[C@@H](C)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 ZINC000004747437 170010989 /nfs/dbraw/zinc/01/09/89/170010989.db2.gz BBUVHASKUIIMSI-GFCCVEGCSA-N 0 0 296.322 3.611 50 5 biogenic CHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000004997257 170052381 /nfs/dbraw/zinc/05/23/81/170052381.db2.gz RHTLQTMFYJVKLY-UHFFFAOYSA-N 0 0 276.679 3.501 50 5 CHBARN COc1ccc2c(c1)c(Cl)c1ccc(Cl)cc1[n+]2[O-] ZINC000005329757 170086180 /nfs/dbraw/zinc/08/61/80/170086180.db2.gz OAHZTBYYIDJQRR-UHFFFAOYSA-N 0 0 294.137 3.942 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2nccc3ccccc32)cc1 ZINC000005332283 170086583 /nfs/dbraw/zinc/08/65/83/170086583.db2.gz SKZYFVSZYJKRDS-UHFFFAOYSA-N 0 0 266.256 3.935 50 5 CHBARN Cc1cc(C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1N ZINC000006236028 170184324 /nfs/dbraw/zinc/18/43/24/170184324.db2.gz XQYFUNCAFOMHHY-UHFFFAOYSA-N 0 0 286.375 3.953 50 5 CHBARN O=[N+]([O-])c1nc[nH]c1N(c1ccccc1)c1ccccc1 ZINC000006694677 170226927 /nfs/dbraw/zinc/22/69/27/170226927.db2.gz HZKNIJOVSXZGHF-UHFFFAOYSA-N 0 0 280.287 3.788 50 5 CHBARN CCCSc1[nH]c2cc(OC)c(OC)cc2c1[N+](=O)[O-] ZINC000006732812 170236140 /nfs/dbraw/zinc/23/61/40/170236140.db2.gz BSNRERKXMXRURH-UHFFFAOYSA-N 0 0 296.348 3.595 50 5 CHBARN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000007610250 170293677 /nfs/dbraw/zinc/29/36/77/170293677.db2.gz FDCAQRFRFKUGRT-UHFFFAOYSA-N 0 0 277.663 3.853 50 5 CHBARN CC(=O)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008079354 170318084 /nfs/dbraw/zinc/31/80/84/170318084.db2.gz QWHJUIUGHNBFGK-UHFFFAOYSA-N 0 0 274.251 3.680 50 5 CHBARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000008132826 170320470 /nfs/dbraw/zinc/32/04/70/170320470.db2.gz GJDPHYSOHUWWJL-UHFFFAOYSA-N 0 0 296.326 3.644 50 5 CHBARN Cc1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000009581583 170381683 /nfs/dbraw/zinc/38/16/83/170381683.db2.gz XYQYHIMSPSYGDT-UHFFFAOYSA-N 0 0 281.271 3.620 50 5 CHBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2OCC[C@@H]3CCCCN23)c1 ZINC000013555763 170561595 /nfs/dbraw/zinc/56/15/95/170561595.db2.gz JSWCLPVPOMBNDT-IINYFYTJSA-N 0 0 296.754 3.522 50 5 CHBARN O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccccc1 ZINC000020512561 171230990 /nfs/dbraw/zinc/23/09/90/171230990.db2.gz LFUHURIYLBVPAJ-UHFFFAOYSA-N 0 0 276.723 3.903 50 5 CHBARN O=c1c2ccc3ccccc3c2oc2cc(O)cc(O)c21 ZINC000030819577 171623659 /nfs/dbraw/zinc/62/36/59/171623659.db2.gz OMSPMYABSZAPJV-UHFFFAOYSA-N 0 0 278.263 3.511 50 5 CHBARN O=[N+]([O-])c1cccc(Cl)c1Oc1ccc2c(c1)OCO2 ZINC000032826054 171753395 /nfs/dbraw/zinc/75/33/95/171753395.db2.gz CKHGUOBZERBVKQ-UHFFFAOYSA-N 0 0 293.662 3.769 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C)CC1 ZINC000040095726 174189788 /nfs/dbraw/zinc/18/97/88/174189788.db2.gz RXGSFSIIEBCMMP-UHFFFAOYSA-N 0 0 291.351 3.603 50 5 CHBARN Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000040095729 174189932 /nfs/dbraw/zinc/18/99/32/174189932.db2.gz OUBPVHDIRRYIGF-UHFFFAOYSA-N 0 0 299.330 3.533 50 5 CHBARN Cc1c(NC(=O)NC2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000040099077 174190911 /nfs/dbraw/zinc/19/09/11/174190911.db2.gz KMUCKZKPXPBFNB-UHFFFAOYSA-N 0 0 291.351 3.603 50 5 CHBARN O=[N+]([O-])c1ccccc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000044416517 175172964 /nfs/dbraw/zinc/17/29/64/175172964.db2.gz RINDMNJRVBMIDW-OCCSQVGLSA-N 0 0 254.289 3.563 50 5 CHBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000059928400 175634978 /nfs/dbraw/zinc/63/49/78/175634978.db2.gz RPWMKKNQRGZJHH-MRVPVSSYSA-N 0 0 296.685 3.922 50 5 CHBARN O=[N+]([O-])c1c(Cl)nc(Cl)nc1/C=C/c1ccccc1 ZINC000067172369 175769833 /nfs/dbraw/zinc/76/98/33/175769833.db2.gz WEBIHPBTGLTRQX-VOTSOKGWSA-N 0 0 296.113 3.862 50 5 CHBARN CC(C)(C)C(=O)CSCc1c(F)cccc1[N+](=O)[O-] ZINC000072312896 176368122 /nfs/dbraw/zinc/36/81/22/176368122.db2.gz ODXUDPAFMYPZHT-UHFFFAOYSA-N 0 0 285.340 3.582 50 5 CHBARN CC(C)(C)c1csc(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000000167705 567924101 /nfs/dbraw/zinc/92/41/01/567924101.db2.gz DEMYTDOPBQDJHL-UHFFFAOYSA-N 0 0 276.361 3.940 50 5 CHBARN O=C(CC1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000000858539 566822068 /nfs/dbraw/zinc/82/20/68/566822068.db2.gz UBFHMZTUJNXWSX-UHFFFAOYSA-N 0 0 262.309 3.504 50 5 CHBARN O=[N+]([O-])c1c(Oc2cccc(Cl)c2)nc2sccn21 ZINC000001395927 566868234 /nfs/dbraw/zinc/86/82/34/566868234.db2.gz HHRINROOVUBTDF-UHFFFAOYSA-N 0 0 295.707 3.750 50 5 CHBARN O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cs1 ZINC000084525544 566883232 /nfs/dbraw/zinc/88/32/32/566883232.db2.gz KBWSGUVSMICQIS-AWEZNQCLSA-N 0 0 288.372 3.646 50 5 CHBARN CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037131268 567012697 /nfs/dbraw/zinc/01/26/97/567012697.db2.gz TXUYXYJTSZPMDZ-ZETCQYMHSA-N 0 0 273.130 3.568 50 5 CHBARN Cc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000016903838 567027872 /nfs/dbraw/zinc/02/78/72/567027872.db2.gz SPODXFKBZKQZNN-UHFFFAOYSA-N 0 0 297.314 3.667 50 5 CHBARN CCCCOc1ccc([N+](=O)[O-])c(OCCCC)c1 ZINC000141539171 567093472 /nfs/dbraw/zinc/09/34/72/567093472.db2.gz RUQCYJGJUOQYDN-UHFFFAOYSA-N 0 0 267.325 3.953 50 5 CHBARN Cc1ccnc(Cl)c1OCc1cccc([N+](=O)[O-])c1C ZINC000095458224 567134757 /nfs/dbraw/zinc/13/47/57/567134757.db2.gz YSKNYESICCPNNY-UHFFFAOYSA-N 0 0 292.722 3.839 50 5 CHBARN Cc1cc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])cc1C ZINC000003206434 567163740 /nfs/dbraw/zinc/16/37/40/567163740.db2.gz PMFPIJVOZKXQEN-AATRIKPKSA-N 0 0 288.259 3.719 50 5 CHBARN CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000004017594 567182527 /nfs/dbraw/zinc/18/25/27/567182527.db2.gz AZTNKGFJYVATPK-INIZCTEOSA-N 0 0 281.315 3.922 50 5 CHBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2F)c1 ZINC000000619135 567834692 /nfs/dbraw/zinc/83/46/92/567834692.db2.gz KIZAJVIBLQRRNT-UHFFFAOYSA-N 0 0 291.307 3.543 50 5 CHBARN O=c1c2ccccc2c2nccc3c4ccccc4n1c32 ZINC000001744168 567843290 /nfs/dbraw/zinc/84/32/90/567843290.db2.gz VODSHQYSLMKQCD-UHFFFAOYSA-N 0 0 270.291 3.592 50 5 biogenic CHBARN CCCCCOc1ccc2nc3ccc(=O)cc-3oc2c1 ZINC000004521772 567857659 /nfs/dbraw/zinc/85/76/59/567857659.db2.gz ZPSOKQFFOYYPKC-UHFFFAOYSA-N 0 0 283.327 3.862 50 5 in-vitro CHBARN O=c1c2cc(Cl)ccc2sc2ccc([N+](=O)[O-])cc12 ZINC000004619249 567858377 /nfs/dbraw/zinc/85/83/77/567858377.db2.gz SFZUTEKCOUBULG-UHFFFAOYSA-N 0 0 291.715 3.976 50 5 CHBARN Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccc(Cl)cc1 ZINC000584904513 567904038 /nfs/dbraw/zinc/90/40/38/567904038.db2.gz BBRCQVDYTMTQPP-UHFFFAOYSA-N 0 0 292.722 3.718 50 5 CHBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000000199391 567924627 /nfs/dbraw/zinc/92/46/27/567924627.db2.gz SJVXZNUBQMBYIO-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000259040 567925874 /nfs/dbraw/zinc/92/58/74/567925874.db2.gz AKRDGBGDSLJKGO-NXEZZACHSA-N 0 0 296.754 3.651 50 5 CHBARN COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000000257808 567925909 /nfs/dbraw/zinc/92/59/09/567925909.db2.gz STFIAUKBFFALNK-UHFFFAOYSA-N 0 0 289.312 3.533 50 5 CHBARN CC(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000311698 567926771 /nfs/dbraw/zinc/92/67/71/567926771.db2.gz ZYKINIOHWRNMIC-UHFFFAOYSA-N 0 0 284.315 3.971 50 5 CHBARN C[C@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000024235915 567930335 /nfs/dbraw/zinc/93/03/35/567930335.db2.gz NIXSHFYUQDPTJZ-MRVPVSSYSA-N 0 0 296.373 3.551 50 5 CHBARN CCc1ccccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000018119031 567940161 /nfs/dbraw/zinc/94/01/61/567940161.db2.gz HGNKAPGPIVVHDX-UHFFFAOYSA-N 0 0 288.278 3.549 50 5 CHBARN CC(=O)Nc1cc([N+](=O)[O-])c(C(C)C)cc1C(C)C ZINC000000500986 567940835 /nfs/dbraw/zinc/94/08/35/567940835.db2.gz PDBLLMDVWSTTCM-UHFFFAOYSA-N 0 0 264.325 3.800 50 5 CHBARN Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 ZINC000000514650 567941713 /nfs/dbraw/zinc/94/17/13/567941713.db2.gz HZYAFRKMTCMIPS-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN Cc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000012082681 567945628 /nfs/dbraw/zinc/94/56/28/567945628.db2.gz LCJLYXJHIPUFJD-UHFFFAOYSA-N 0 0 294.314 3.898 50 5 CHBARN Cc1cc(N2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000004624328 570240456 /nfs/dbraw/zinc/24/04/56/570240456.db2.gz XOLVHJDDKHKIJM-UHFFFAOYSA-N 0 0 286.306 3.605 50 5 CHBARN O=c1cc(C(F)(F)F)oc2c1ccc1ccccc12 ZINC000000352502 570265009 /nfs/dbraw/zinc/26/50/09/570265009.db2.gz WSRQNIQNYFDCDQ-UHFFFAOYSA-N 0 0 264.202 3.965 50 5 CHBARN O=[N+]([O-])c1ccc(Cl)c(/C=C\c2ccccn2)c1 ZINC000004531857 570331936 /nfs/dbraw/zinc/33/19/36/570331936.db2.gz RWMIGSKGHNOKLS-PLNGDYQASA-N 0 0 260.680 3.814 50 5 CHBARN Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1C ZINC000004309371 570338466 /nfs/dbraw/zinc/33/84/66/570338466.db2.gz FZJUXVAKPHMLEK-UHFFFAOYSA-N 0 0 256.305 3.824 50 5 CHBARN CCc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000012860861 570341655 /nfs/dbraw/zinc/34/16/55/570341655.db2.gz GOKZEWOXDKKQNW-DHZHZOJOSA-N 0 0 296.326 3.809 50 5 CHBARN Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000016013676 570346878 /nfs/dbraw/zinc/34/68/78/570346878.db2.gz GRPKHAPGPGNHAX-UHFFFAOYSA-N 0 0 285.299 3.739 50 5 CHBARN Cc1cc(C(=O)O[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000012949203 570347916 /nfs/dbraw/zinc/34/79/16/570347916.db2.gz ZDJIFFYFQMWWDF-MRXNPFEDSA-N 0 0 297.310 3.748 50 5 CHBARN O=[N+]([O-])c1c(F)cccc1NCc1cc2ccccc2[nH]1 ZINC000058544050 570400232 /nfs/dbraw/zinc/40/02/32/570400232.db2.gz FHBMIGBLFHLTJB-UHFFFAOYSA-N 0 0 285.278 3.827 50 5 CHBARN O=[N+]([O-])c1cccnc1Oc1cccc(Br)c1 ZINC000019514716 1125555537 /nfs/dbraw/zinc/55/55/37/1125555537.db2.gz XOOGIJGFOKIQJA-UHFFFAOYSA-N 0 0 295.092 3.545 50 5 CHBARN Cc1cccc(C)c1OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033752495 1128608466 /nfs/dbraw/zinc/60/84/66/1128608466.db2.gz MIIXSQJFFSZBSQ-FLIBITNWSA-N 0 0 297.310 3.830 50 5 CHBARN O=Cc1c2cc([N+](=O)[O-])ccc2[nH]c1-c1ccccc1 ZINC000003156150 1119025932 /nfs/dbraw/zinc/02/59/32/1119025932.db2.gz DYBPPJOGMDDXEJ-UHFFFAOYSA-N 0 0 266.256 3.556 50 5 CHBARN Cc1ccc(-c2nnc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000000434482 1119575396 /nfs/dbraw/zinc/57/53/96/1119575396.db2.gz OUCLACHQPUSAOI-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)sc2c1 ZINC000001433322 1123229212 /nfs/dbraw/zinc/22/92/12/1123229212.db2.gz GKFMHLGCYNFWPR-UHFFFAOYSA-N 0 0 256.286 3.872 50 5 CHBARN Cc1c(NC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000000358209 1125422021 /nfs/dbraw/zinc/42/20/21/1125422021.db2.gz LLUMMGGWVZOTLX-UHFFFAOYSA-N 0 0 271.276 3.547 50 5 CHBARN CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001599519 1125428418 /nfs/dbraw/zinc/42/84/18/1125428418.db2.gz ZOSBBNCIMHOFJM-UHFFFAOYSA-N 0 0 278.352 3.637 50 5 CHBARN CC[C@@H]([C@H](Nc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000000187271 1129732101 /nfs/dbraw/zinc/73/21/01/1129732101.db2.gz WRADNUIDLCNSHF-JKSUJKDBSA-N 0 0 270.332 3.895 50 5 CHBARN O=[N+]([O-])c1ccccc1N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000952964594 1132016583 /nfs/dbraw/zinc/01/65/83/1132016583.db2.gz UQADOZRAJZXRCV-INIZCTEOSA-N 0 0 295.342 3.721 50 5 CHBARN O=[N+]([O-])c1cccc2ccc(/C=C/c3cncs3)nc21 ZINC000129926495 230394643 /nfs/dbraw/zinc/39/46/43/230394643.db2.gz BQMRKIFJTQDOSS-VOTSOKGWSA-N 0 0 283.312 3.770 50 5 CHBARN CCn1c2ccccc2nc1CNc1cccc([N+](=O)[O-])c1 ZINC000095953087 185040809 /nfs/dbraw/zinc/04/08/09/185040809.db2.gz BSOLLJLVGBJMLO-UHFFFAOYSA-N 0 0 296.330 3.577 50 5 CHBARN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000085679594 179113491 /nfs/dbraw/zinc/11/34/91/179113491.db2.gz JHWZYBWDJWHVPE-HUUCEWRRSA-N 0 0 290.363 3.745 50 5 CHBARN O=[N+]([O-])c1ccccc1Oc1cccc2cccnc21 ZINC000002637328 169817162 /nfs/dbraw/zinc/81/71/62/169817162.db2.gz OJEGERHLOSDIOT-UHFFFAOYSA-N 0 0 266.256 3.935 50 5 CHBARN O=[N+]([O-])c1c(Cl)ccc(Br)c1Cl ZINC000263622946 190070700 /nfs/dbraw/zinc/07/07/00/190070700.db2.gz CIMPUCQBTXFSHT-UHFFFAOYSA-N 0 0 270.897 3.664 50 5 CHBARN Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000000034182 169511166 /nfs/dbraw/zinc/51/11/66/169511166.db2.gz DABFRTXQVAEIHW-UHFFFAOYSA-N 0 0 297.339 3.968 50 5 CHBARN Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000063834 169523078 /nfs/dbraw/zinc/52/30/78/169523078.db2.gz AFRDKACFAZSLOM-JXMROGBWSA-N 0 0 282.299 3.555 50 5 CHBARN Cc1cc(-c2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000000087941 169532081 /nfs/dbraw/zinc/53/20/81/169532081.db2.gz AAQICTXAAIBOCC-UHFFFAOYSA-N 0 0 281.271 3.620 50 5 CHBARN COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1 ZINC000000292702 169599584 /nfs/dbraw/zinc/59/95/84/169599584.db2.gz VVZNWYXIOADGSW-UHFFFAOYSA-N 0 0 298.298 3.561 50 5 in-vitro CHBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(F)cc2)c1 ZINC000000358039 169616269 /nfs/dbraw/zinc/61/62/69/169616269.db2.gz MCIYKWVHANMVDA-UHFFFAOYSA-N 0 0 291.307 3.543 50 5 CHBARN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000096491801 533506637 /nfs/dbraw/zinc/50/66/37/533506637.db2.gz VXBAALAJIYDSEC-MNOVXSKESA-N 0 0 289.310 3.541 50 5 CHBARN O=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1Cl ZINC000001724781 169750845 /nfs/dbraw/zinc/75/08/45/169750845.db2.gz GNSRPVVOJBKRCG-UHFFFAOYSA-N 0 0 278.651 3.823 50 5 CHBARN Cc1c(NC(=O)Nc2cccs2)cccc1[N+](=O)[O-] ZINC000002908196 169843926 /nfs/dbraw/zinc/84/39/26/169843926.db2.gz IVUUWVHQWCCFLU-UHFFFAOYSA-N 0 0 277.305 3.609 50 5 CHBARN O=[N+]([O-])c1cccc(CSc2ncnc3ccccc32)c1 ZINC000003297209 169876481 /nfs/dbraw/zinc/87/64/81/169876481.db2.gz GMTQJQWZSDYOLT-UHFFFAOYSA-N 0 0 297.339 3.830 50 5 CHBARN Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000004739850 170008228 /nfs/dbraw/zinc/00/82/28/170008228.db2.gz BWLWFTYUJPBAPC-UHFFFAOYSA-N 0 0 263.684 3.695 50 5 CHBARN CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004833991 170026457 /nfs/dbraw/zinc/02/64/57/170026457.db2.gz JRUUGAOJLLAWEQ-OAHLLOKOSA-N 0 0 284.315 3.727 50 5 CHBARN C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004986181 170049232 /nfs/dbraw/zinc/04/92/32/170049232.db2.gz WSYPHLUKVJOJQM-LLVKDONJSA-N 0 0 297.314 3.578 50 5 CHBARN O=[N+]([O-])c1ccc2oc(/C=C/c3ccc(O)cc3)nc2c1 ZINC000005027634 170057674 /nfs/dbraw/zinc/05/76/74/170057674.db2.gz MAPBZSMGYXETSE-FPYGCLRLSA-N 0 0 282.255 3.612 50 5 CHBARN COc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005429465 170098538 /nfs/dbraw/zinc/09/85/38/170098538.db2.gz FBRHQZHXYVZLCX-UHFFFAOYSA-N 0 0 293.706 3.836 50 5 CHBARN CC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005522140 170108088 /nfs/dbraw/zinc/10/80/88/170108088.db2.gz BPEPYKMGVKQEGI-UHFFFAOYSA-N 0 0 286.287 3.829 50 5 CHBARN CCCC[C@H](CC)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005597363 170117785 /nfs/dbraw/zinc/11/77/85/170117785.db2.gz CYGCGKPZQVHKCK-LBPRGKRZSA-N 0 0 278.352 3.541 50 5 CHBARN O=[N+]([O-])c1ccc(-c2csc(-c3ccccn3)n2)cc1 ZINC000007845331 170304765 /nfs/dbraw/zinc/30/47/65/170304765.db2.gz BSUSRPCJIBSKSM-UHFFFAOYSA-N 0 0 283.312 3.780 50 5 CHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000008053719 170316524 /nfs/dbraw/zinc/31/65/24/170316524.db2.gz UQXYYNHIXDCVBY-SECBINFHSA-N 0 0 277.711 3.816 50 5 CHBARN Cc1nn(Cc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000008156135 170321958 /nfs/dbraw/zinc/32/19/58/170321958.db2.gz DQRMXZWAEBZKTD-UHFFFAOYSA-N 0 0 273.336 3.580 50 5 CHBARN Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000008780309 170355570 /nfs/dbraw/zinc/35/55/70/170355570.db2.gz ATVZXRMVIRRKAU-UHFFFAOYSA-N 0 0 278.695 3.531 50 5 CHBARN O=C(Nc1cccc(Nc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000029526571 171601985 /nfs/dbraw/zinc/60/19/85/171601985.db2.gz PNWFWFTWEMGNOZ-UHFFFAOYSA-N 0 0 297.314 3.687 50 5 CHBARN O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000038081069 174090514 /nfs/dbraw/zinc/09/05/14/174090514.db2.gz XIGDEDHEOAOOON-UHFFFAOYSA-N 0 0 295.653 3.992 50 5 CHBARN CC(C)(C)Nc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000038537598 174145428 /nfs/dbraw/zinc/14/54/28/174145428.db2.gz HNSIZDZRAOLNCA-UHFFFAOYSA-N 0 0 291.120 3.707 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000040095738 174189896 /nfs/dbraw/zinc/18/98/96/174189896.db2.gz QVUGAESWPVYOOJ-GWCFXTLKSA-N 0 0 291.351 3.603 50 5 CHBARN Cc1c(NC(=O)NC2CCCCCC2)cccc1[N+](=O)[O-] ZINC000040099085 174190718 /nfs/dbraw/zinc/19/07/18/174190718.db2.gz ZABNXAVMFGSDQW-UHFFFAOYSA-N 0 0 291.351 3.748 50 5 CHBARN CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000513685 529159744 /nfs/dbraw/zinc/15/97/44/529159744.db2.gz ODUFERBFAAHAHH-UHFFFAOYSA-N 0 0 284.315 3.718 50 5 CHBARN COC(=O)Nc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC000052428368 566838254 /nfs/dbraw/zinc/83/82/54/566838254.db2.gz XSTLBEZRLJMYBU-UHFFFAOYSA-N 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RHTRFBOLVIWXHO-UHFFFAOYSA-N 0 0 283.312 3.780 50 5 CHBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCCCCC1 ZINC000042109295 567015512 /nfs/dbraw/zinc/01/55/12/567015512.db2.gz JVFUBXRYTZPGNN-UHFFFAOYSA-N 0 0 271.320 3.523 50 5 CHBARN CCCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000148817240 567093051 /nfs/dbraw/zinc/09/30/51/567093051.db2.gz ZHXJXGILCFSXMZ-UHFFFAOYSA-N 0 0 263.215 3.793 50 5 CHBARN O=[N+]([O-])c1c(F)cccc1N[C@@H](c1nccs1)C1CC1 ZINC000095972049 567136646 /nfs/dbraw/zinc/13/66/46/567136646.db2.gz BNQPXVHLWSOSGS-LLVKDONJSA-N 0 0 293.323 3.754 50 5 CHBARN CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000002562223 567149335 /nfs/dbraw/zinc/14/93/35/567149335.db2.gz MNAALDAFPOJOIU-ZCFIWIBFSA-N 0 0 258.661 3.670 50 5 CHBARN Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1ccccc1F ZINC000003207837 567163452 /nfs/dbraw/zinc/16/34/52/567163452.db2.gz SYNPJLLZFKXCCD-OAHLLOKOSA-N 0 0 298.317 3.795 50 5 CHBARN Cc1ccc(C)c(OC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000003317077 567168696 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Cc1ccc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000102978 567911167 /nfs/dbraw/zinc/91/11/67/567911167.db2.gz NSQIZPVQQLOGTK-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)cc1 ZINC000023380776 567923332 /nfs/dbraw/zinc/92/33/32/567923332.db2.gz YKBQFTNWONJQNX-UHFFFAOYSA-N 0 0 281.315 3.731 50 5 CHBARN CC(=O)n1cc(Nc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000000209210 567925107 /nfs/dbraw/zinc/92/51/07/567925107.db2.gz FMVJSAMWISBCRY-UHFFFAOYSA-N 0 0 295.298 3.953 50 5 CHBARN Cc1c2c(c(C)n1-c1cccc([N+](=O)[O-])c1)c(C)nnc2C ZINC000000313578 567926652 /nfs/dbraw/zinc/92/66/52/567926652.db2.gz ZYJVKCJXEPEDGR-UHFFFAOYSA-N 0 0 296.330 3.562 50 5 CHBARN O=C1CCCC[C@H]1Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000339738 567926776 /nfs/dbraw/zinc/92/67/76/567926776.db2.gz ZXIMBCISGJLOOR-GFCCVEGCSA-N 0 0 285.752 3.852 50 5 CHBARN Cc1c(C(=O)Oc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000436596 567930813 /nfs/dbraw/zinc/93/08/13/567930813.db2.gz YBTQJYNGPDSNIJ-UHFFFAOYSA-N 0 0 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570214877 /nfs/dbraw/zinc/21/48/77/570214877.db2.gz VDYDOOKXVVGCRM-UHFFFAOYSA-N 0 0 254.285 3.735 50 5 biogenic CHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000004538243 570224155 /nfs/dbraw/zinc/22/41/55/570224155.db2.gz RBHJROQKKREBGS-UHFFFAOYSA-N 0 0 296.282 3.902 50 5 CHBARN O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004628663 570241131 /nfs/dbraw/zinc/24/11/31/570241131.db2.gz GXYLYCOTELGTBO-UHFFFAOYSA-N 0 0 276.336 3.894 50 5 CHBARN Cc1cc(C)c(C(=O)Oc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000377011 570265875 /nfs/dbraw/zinc/26/58/75/570265875.db2.gz CFLMPJVGCXOLNF-UHFFFAOYSA-N 0 0 285.299 3.739 50 5 CHBARN Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003328559 570275244 /nfs/dbraw/zinc/27/52/44/570275244.db2.gz LLWZXQIDNXFYKF-UHFFFAOYSA-N 0 0 276.317 3.525 50 5 CHBARN O=[N+]([O-])[C@@H]1C[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000005947859 570326164 /nfs/dbraw/zinc/32/61/64/570326164.db2.gz DWDXQLPZKOULNS-BZUAXINKSA-N 0 0 253.301 3.603 50 5 CHBARN O=c1[nH]c2nc(-c3ccccc3)ccc2c2ccccc12 ZINC000012597354 570328873 /nfs/dbraw/zinc/32/88/73/570328873.db2.gz UECNTYGDZFCUOI-UHFFFAOYSA-N 0 0 272.307 3.743 50 5 CHBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000004017747 570330473 /nfs/dbraw/zinc/33/04/73/570330473.db2.gz KPLRDWVOGANZAD-UHFFFAOYSA-N 0 0 265.272 3.652 50 5 CHBARN O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)c2nonc21 ZINC000004017573 570330482 /nfs/dbraw/zinc/33/04/82/570330482.db2.gz BOAJDMIDSSIIGG-UHFFFAOYSA-N 0 0 290.666 3.528 50 5 CHBARN CCCCOc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000082046480 570395634 /nfs/dbraw/zinc/39/56/34/570395634.db2.gz BUAGNQPTTFVDTK-UHFFFAOYSA-N 0 0 288.141 3.845 50 5 CHBARN CC(C)SCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002497093 1118573279 /nfs/dbraw/zinc/57/32/79/1118573279.db2.gz UFBVMIODHQFBKW-UHFFFAOYSA-N 0 0 269.366 3.895 50 5 CHBARN CSc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000350662 1119143551 /nfs/dbraw/zinc/14/35/51/1119143551.db2.gz PFJSCMKJFCKOPR-UHFFFAOYSA-N 0 0 274.345 3.929 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000000438081 1119575359 /nfs/dbraw/zinc/57/53/59/1119575359.db2.gz NPOYGFHKEBAXGV-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN COc1ccccc1[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000015170204 1121725796 /nfs/dbraw/zinc/72/57/96/1121725796.db2.gz ZFIJMDDREUQYKG-JTQLQIEISA-N 0 0 290.294 3.916 50 5 CHBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000437390 1125422329 /nfs/dbraw/zinc/42/23/29/1125422329.db2.gz XWJPFTGHAHKVPL-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1F ZINC000095933530 185033635 /nfs/dbraw/zinc/03/36/35/185033635.db2.gz HVLWVQWJVRJRDF-UHFFFAOYSA-N 0 0 286.621 3.714 50 5 CHBARN CCOc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1 ZINC000085477005 179079861 /nfs/dbraw/zinc/07/98/61/179079861.db2.gz NJFNWYJJQKLSQT-UHFFFAOYSA-N 0 0 272.304 3.606 50 5 CHBARN O=[N+]([O-])c1cc(OC2CCCC2)cc(OC(F)(F)F)c1 ZINC000261494165 190039525 /nfs/dbraw/zinc/03/95/25/190039525.db2.gz RIEJVMZBNAMMPP-UHFFFAOYSA-N 0 0 291.225 3.815 50 5 CHBARN CC(C)COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000261493787 190039732 /nfs/dbraw/zinc/03/97/32/190039732.db2.gz JEWQAKNTTTYPMV-UHFFFAOYSA-N 0 0 263.215 3.648 50 5 CHBARN Cc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000063831 169523164 /nfs/dbraw/zinc/52/31/64/169523164.db2.gz UKJUIBKZHZGMPN-CMDGGOBGSA-N 0 0 282.299 3.555 50 5 CHBARN O=[N+]([O-])c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000000187901 169568816 /nfs/dbraw/zinc/56/88/16/169568816.db2.gz IBNINHYNAKWLRZ-UHFFFAOYSA-N 0 0 285.328 3.763 50 5 CHBARN COc1ccc2nc3c4ccccc4oc(=O)c3cc2c1 ZINC000000382987 169624476 /nfs/dbraw/zinc/62/44/76/169624476.db2.gz FSZGYVHMKUOTJL-UHFFFAOYSA-N 0 0 277.279 3.503 50 5 CHBARN Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000579814 169672467 /nfs/dbraw/zinc/67/24/67/169672467.db2.gz SLCFQZFVOGQVLL-GFCCVEGCSA-N 0 0 284.315 3.645 50 5 CHBARN CCCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002736564 169823731 /nfs/dbraw/zinc/82/37/31/169823731.db2.gz DUBMQFMXSSJZJT-LBPRGKRZSA-N 0 0 278.352 3.602 50 5 CHBARN O=C(Nc1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003086049 169854273 /nfs/dbraw/zinc/85/42/73/169854273.db2.gz KIBBHFHHZFUFRA-UHFFFAOYSA-N 0 0 293.229 3.517 50 5 CHBARN Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003958899 169927033 /nfs/dbraw/zinc/92/70/33/169927033.db2.gz JMGRECZBDCOKFN-UHFFFAOYSA-N 0 0 271.276 3.547 50 5 CHBARN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000004725771 170006386 /nfs/dbraw/zinc/00/63/86/170006386.db2.gz WXOISAJGDXAIEE-UHFFFAOYSA-N 0 0 288.259 3.912 50 5 CHBARN Cc1cc(C)c(NC(=O)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000004873029 170034799 /nfs/dbraw/zinc/03/47/99/170034799.db2.gz AAJGKGDWONPLCJ-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1cccc(-c2nnc(Cc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000004927871 170041974 /nfs/dbraw/zinc/04/19/74/170041974.db2.gz KVYLRAFZFKIMPG-UHFFFAOYSA-N 0 0 295.298 3.544 50 5 CHBARN Cc1[nH]nc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000005012642 170055295 /nfs/dbraw/zinc/05/52/95/170055295.db2.gz MNQMIKAKATWDGI-UHFFFAOYSA-N 0 0 268.276 3.523 50 5 CHBARN Cc1cc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000005041801 170059951 /nfs/dbraw/zinc/05/99/51/170059951.db2.gz CDUAHUQZOXDZBJ-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000005390600 170094084 /nfs/dbraw/zinc/09/40/84/170094084.db2.gz MDOJGOYXJSGMGQ-UHFFFAOYSA-N 0 0 287.275 3.863 50 5 CHBARN CCCC[C@@H](CC)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000005793057 170140572 /nfs/dbraw/zinc/14/05/72/170140572.db2.gz KXZNSWGEQJMVMF-LLVKDONJSA-N 0 0 294.351 3.758 50 5 CHBARN COc1ccc([N+](=O)[O-])cc1OCc1ccccc1Cl ZINC000006127146 170178481 /nfs/dbraw/zinc/17/84/81/170178481.db2.gz MALRAVWYOGVAGZ-UHFFFAOYSA-N 0 0 293.706 3.836 50 5 CHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000006272330 170187600 /nfs/dbraw/zinc/18/76/00/170187600.db2.gz XVUMPLBXMRXIAX-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN CC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000008056014 170316703 /nfs/dbraw/zinc/31/67/03/170316703.db2.gz LXFHTKPOYDUERL-UHFFFAOYSA-N 0 0 256.261 3.541 50 5 CHBARN COc1ccc2sc3c(c2c1)c1ccccc1[nH]c3=O ZINC000008828916 170356768 /nfs/dbraw/zinc/35/67/68/170356768.db2.gz PASIMSOPHTYWDR-UHFFFAOYSA-N 0 0 281.336 3.905 50 5 aggregator CHBARN O=c1cc(C=Cc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 ZINC000015016845 170654167 /nfs/dbraw/zinc/65/41/67/170654167.db2.gz HJGKQMBZGZIVMB-VMPITWQZSA-N 0 0 292.294 3.607 50 5 CHBARN Cc1ccccc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000022069195 171351954 /nfs/dbraw/zinc/35/19/54/171351954.db2.gz VHNLOWTWTFTDOV-UHFFFAOYSA-N 0 0 285.299 3.569 50 5 CHBARN Cc1cc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000040510839 174304628 /nfs/dbraw/zinc/30/46/28/174304628.db2.gz KOGSFGFKPHZXHX-UHFFFAOYSA-N 0 0 295.298 3.637 50 5 CHBARN O=[N+]([O-])c1cc(Cl)c(Br)c(Cl)c1 ZINC000040571613 174338449 /nfs/dbraw/zinc/33/84/49/174338449.db2.gz OPOMBXSGXKFMGY-UHFFFAOYSA-N 0 0 270.897 3.664 50 5 CHBARN O=[N+]([O-])c1cc(Cl)c(Br)cc1Cl ZINC000045891419 175385849 /nfs/dbraw/zinc/38/58/49/175385849.db2.gz MYTUPPCUVLUADY-UHFFFAOYSA-N 0 0 270.897 3.664 50 5 CHBARN Cc1noc(/C=C/c2c[nH]c3ccccc23)c1[N+](=O)[O-] ZINC000252500903 329942093 /nfs/dbraw/zinc/94/20/93/329942093.db2.gz TYTUJIWHWSNPNS-VOTSOKGWSA-N 0 0 269.260 3.543 50 5 CHBARN Cc1ccn2c(Cl)c(-c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000001390341 566869635 /nfs/dbraw/zinc/86/96/35/566869635.db2.gz WUOWQTLRKAJYBQ-UHFFFAOYSA-N 0 0 287.706 3.871 50 5 CHBARN CCN(C(=O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000084779614 566887877 /nfs/dbraw/zinc/88/78/77/566887877.db2.gz OTRAAAHXMRYWRE-UHFFFAOYSA-N 0 0 298.342 3.581 50 5 CHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000015934554 566927512 /nfs/dbraw/zinc/92/75/12/566927512.db2.gz FHYMPUSODPGZIM-UHFFFAOYSA-N 0 0 297.314 3.580 50 5 CHBARN O=[N+]([O-])c1ccc(N[C@H](c2nccs2)C2CC2)cc1 ZINC000095972054 567136718 /nfs/dbraw/zinc/13/67/18/567136718.db2.gz CRCTYYYGIYHTFR-LBPRGKRZSA-N 0 0 275.333 3.615 50 5 CHBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2OCC[C@H]3CCCCN32)c1 ZINC000057099760 567154572 /nfs/dbraw/zinc/15/45/72/567154572.db2.gz JSWCLPVPOMBNDT-QMTHXVAHSA-N 0 0 296.754 3.522 50 5 CHBARN O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)n(O)c2c1 ZINC000003063711 567157769 /nfs/dbraw/zinc/15/77/69/567157769.db2.gz BYJZPEOYJOJURF-UHFFFAOYSA-N 0 0 289.678 3.502 50 5 CHBARN CC(C)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000003194463 567162227 /nfs/dbraw/zinc/16/22/27/567162227.db2.gz HGKGYXFSDLNRFZ-UHFFFAOYSA-N 0 0 284.743 3.507 50 5 CHBARN C[C@@H](OC(=O)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000058014338 567168582 /nfs/dbraw/zinc/16/85/82/567168582.db2.gz GANQHISXLCNFPA-CYBMUJFWSA-N 0 0 299.326 3.832 50 5 CHBARN Cn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21 ZINC000004124778 567187416 /nfs/dbraw/zinc/18/74/16/567187416.db2.gz OEBSQOZGZHYXPE-UHFFFAOYSA-N 0 0 252.273 3.754 50 5 CHBARN Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000002668013 567848627 /nfs/dbraw/zinc/84/86/27/567848627.db2.gz NXJNINUNSFIGJN-UHFFFAOYSA-N 0 0 267.719 3.928 50 5 CHBARN O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1Nc1ccccc1 ZINC000004365198 567863946 /nfs/dbraw/zinc/86/39/46/567863946.db2.gz KJRXTDZKSMARIF-UHFFFAOYSA-N 0 0 293.666 3.900 50 5 CHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1sccc1Cl ZINC000004542615 567869533 /nfs/dbraw/zinc/86/95/33/567869533.db2.gz PZNHSSYLFCAHRU-UHFFFAOYSA-N 0 0 282.708 3.562 50 5 CHBARN O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004582327 567871728 /nfs/dbraw/zinc/87/17/28/567871728.db2.gz YLMKHXBXDKWQSO-UHFFFAOYSA-N 0 0 293.666 3.900 50 5 CHBARN O=c1oc(=O)c2ccc3c4ccccc4oc4ccc1c2c43 ZINC000043277608 567892524 /nfs/dbraw/zinc/89/25/24/567892524.db2.gz CMDRTRYVGCWWHS-UHFFFAOYSA-N 0 0 288.258 3.644 50 5 CHBARN Cc1ccsc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004615025 567893834 /nfs/dbraw/zinc/89/38/34/567893834.db2.gz ZBMFENURWXHFNV-UHFFFAOYSA-N 0 0 296.735 3.870 50 5 CHBARN CC[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000013891542 567894761 /nfs/dbraw/zinc/89/47/61/567894761.db2.gz BCEJQVARPFUUKC-BETUJISGSA-N 0 0 292.379 3.563 50 5 CHBARN Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000000087944 567907615 /nfs/dbraw/zinc/90/76/15/567907615.db2.gz KFXFDKFWLKBNDD-UHFFFAOYSA-N 0 0 295.298 3.929 50 5 CHBARN Cc1cccc(Cl)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000103179 567911230 /nfs/dbraw/zinc/91/12/30/567911230.db2.gz ASOOSKARNDMROC-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN C[C@@H]([C@@H](Sc1ccccc1N)c1ccccc1)[N+](=O)[O-] ZINC000000101683 567911476 /nfs/dbraw/zinc/91/14/76/567911476.db2.gz INJWQHQNDINBMN-XHDPSFHLSA-N 0 0 288.372 3.767 50 5 CHBARN O=[N+]([O-])c1cc(F)c(C(F)(F)F)cc1Br ZINC000116527375 567916920 /nfs/dbraw/zinc/91/69/20/567916920.db2.gz LUJHTOFZEPHSLH-UHFFFAOYSA-N 0 0 287.994 3.515 50 5 CHBARN O=Cc1cc([N+](=O)[O-])ccc1SCc1ccccc1 ZINC000012336660 567917268 /nfs/dbraw/zinc/91/72/68/567917268.db2.gz COWMUQNZNYZPLS-UHFFFAOYSA-N 0 0 273.313 3.700 50 5 CHBARN Cc1cc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000000184134 567924807 /nfs/dbraw/zinc/92/48/07/567924807.db2.gz LRJSQAFWMMZTNU-UHFFFAOYSA-N 0 0 298.342 3.701 50 5 CHBARN CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000050197549 567925292 /nfs/dbraw/zinc/92/52/92/567925292.db2.gz BCUOAXAVTAODKZ-ZDUSSCGKSA-N 0 0 257.293 3.553 50 5 CHBARN Cn1cc([C@@H](C[N+](=O)[O-])c2ccccc2)c2ccccc21 ZINC000000257738 567925904 /nfs/dbraw/zinc/92/59/04/567925904.db2.gz RZQOLNRNTNCIGV-HNNXBMFYSA-N 0 0 280.327 3.587 50 5 CHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000000304798 567926567 /nfs/dbraw/zinc/92/65/67/567926567.db2.gz QMWDTTNHGAVMIM-UHFFFAOYSA-N 0 0 282.708 3.562 50 5 CHBARN Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000182022 570263321 /nfs/dbraw/zinc/26/33/21/570263321.db2.gz IJONNIOUYPRLPJ-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CCC=CCC[C@H]12 ZINC000018044237 570282692 /nfs/dbraw/zinc/28/26/92/570282692.db2.gz RFBTVNSAFANRSG-KBPBESRZSA-N 0 0 286.331 3.526 50 5 CHBARN Cc1c2oc3c(nc4n[nH]cc4c3C(C)C)c2ccc1O ZINC000218177411 570308531 /nfs/dbraw/zinc/30/85/31/570308531.db2.gz BQTJEUBGBIBBNC-UHFFFAOYSA-N 0 0 281.315 3.995 50 5 CHBARN C[C@H]1Cc2ccccc2N1Cc1ccccc1[N+](=O)[O-] ZINC000015255393 570325965 /nfs/dbraw/zinc/32/59/65/570325965.db2.gz LCZSCWYMAIXKRY-LBPRGKRZSA-N 0 0 268.316 3.546 50 5 CHBARN CC(C)c1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000012688489 570332084 /nfs/dbraw/zinc/33/20/84/570332084.db2.gz RGTZWXKHHQRYFP-VIFPVBQESA-N 0 0 292.364 3.690 50 5 CHBARN CN(Cc1ccc(C(C)(C)C)cc1)c1ncccc1[N+](=O)[O-] ZINC000015168115 1125529344 /nfs/dbraw/zinc/52/93/44/1125529344.db2.gz DRFSAHUJOLAUDN-UHFFFAOYSA-N 0 0 299.374 3.924 50 5 CHBARN CC(C)(C)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000074937748 1125712954 /nfs/dbraw/zinc/71/29/54/1125712954.db2.gz FXOQUYKHAQDUDT-UHFFFAOYSA-N 0 0 273.130 3.568 50 5 CHBARN O=[N+]([O-])c1cc(F)c(Cl)cc1OC(F)(F)Cl ZINC000095215433 1125774391 /nfs/dbraw/zinc/77/43/91/1125774391.db2.gz GVTPUDHXYVNSIF-UHFFFAOYSA-N 0 0 275.997 3.555 50 5 CHBARN Cc1ccc(-c2ccc(C=O)cc2[N+](=O)[O-])c(C)c1 ZINC000675073684 1127903958 /nfs/dbraw/zinc/90/39/58/1127903958.db2.gz MRWZJAOJAGRABY-UHFFFAOYSA-N 0 0 255.273 3.691 50 5 CHBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2S1 ZINC000000062381 1117885419 /nfs/dbraw/zinc/88/54/19/1117885419.db2.gz BFJWEJHPELWPGR-CQSZACIVSA-N 0 0 272.329 3.985 50 5 CHBARN Cc1onc(/C=C\c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000096814734 1118558483 /nfs/dbraw/zinc/55/84/83/1118558483.db2.gz MMUSPRCRQUKVPD-SREVYHEPSA-N 0 0 258.277 3.678 50 5 CHBARN CC(C)SCCCOc1ccccc1[N+](=O)[O-] ZINC000002494476 1118571954 /nfs/dbraw/zinc/57/19/54/1118571954.db2.gz DJNFFCIQCBXQGL-UHFFFAOYSA-N 0 0 255.339 3.505 50 5 CHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000000437574 1119575508 /nfs/dbraw/zinc/57/55/08/1119575508.db2.gz LLNFMYOIIDAPSJ-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN O=C(NC1CCCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000449879 1119589437 /nfs/dbraw/zinc/58/94/37/1119589437.db2.gz FMQXFWFZXLAKHJ-UHFFFAOYSA-N 0 0 296.754 3.701 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1127355787 /nfs/dbraw/zinc/35/57/87/1127355787.db2.gz XNHNZMCOAQPZQD-ZHZWZMEUSA-N 0 0 287.319 3.637 50 5 CHBARN C[C@H](Sc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000076018394 1119624640 /nfs/dbraw/zinc/62/46/40/1119624640.db2.gz LWFZZWYGGNQYKL-QMMMGPOBSA-N 0 0 266.347 3.905 50 5 CHBARN O=[N+]([O-])c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000001620307 1124836484 /nfs/dbraw/zinc/83/64/84/1124836484.db2.gz MXWVNAOIXKIIJK-UHFFFAOYSA-N 0 0 276.273 3.654 50 5 CHBARN Cc1ccc(OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1C ZINC000097986709 1129633688 /nfs/dbraw/zinc/63/36/88/1129633688.db2.gz VMRFTOODHOTFTL-POHAHGRESA-N 0 0 297.310 3.830 50 5 CHBARN O=c1c2cccc3cccc(c4nc5ccccc5n41)c32 ZINC000000039381 169513713 /nfs/dbraw/zinc/51/37/13/169513713.db2.gz NZBSAAMEZYOGBA-UHFFFAOYSA-N 0 0 270.291 3.592 50 5 CHBARN O=[N+]([O-])c1cccc(-c2noc(CC3CCCCC3)n2)c1 ZINC000000087965 169531851 /nfs/dbraw/zinc/53/18/51/169531851.db2.gz HDYIZCUZYIIPKF-UHFFFAOYSA-N 0 0 287.319 3.768 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 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CCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004151074 169938722 /nfs/dbraw/zinc/93/87/22/169938722.db2.gz BIZIWYJNUOPLJM-UHFFFAOYSA-N 0 0 284.743 3.558 50 5 CHBARN COC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1 ZINC000004693980 169999981 /nfs/dbraw/zinc/99/99/81/169999981.db2.gz VDSUBJQKTWJDDF-UHFFFAOYSA-N 0 0 285.324 3.593 50 5 CHBARN Clc1ccc2nc3c4ccccc4cnn3c2c1 ZINC000004740989 170008816 /nfs/dbraw/zinc/00/88/16/170008816.db2.gz VSXYBFOEHRWGRA-UHFFFAOYSA-N 0 0 253.692 3.689 50 5 CHBARN CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000004744891 170010574 /nfs/dbraw/zinc/01/05/74/170010574.db2.gz JXHSUVBIZLPJSX-UHFFFAOYSA-N 0 0 278.352 3.877 50 5 CHBARN CCCCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004797184 170018240 /nfs/dbraw/zinc/01/82/40/170018240.db2.gz SNBLMYYZXYRJTR-UHFFFAOYSA-N 0 0 296.323 3.732 50 5 CHBARN O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004794780 170018781 /nfs/dbraw/zinc/01/87/81/170018781.db2.gz SHWIOIBCSREACF-UHFFFAOYSA-N 0 0 291.694 3.892 50 5 CHBARN Cc1ccc(NC(=O)Oc2ccccc2F)c([N+](=O)[O-])c1 ZINC000004799771 170019316 /nfs/dbraw/zinc/01/93/16/170019316.db2.gz LNYHDQBRVFCHHQ-UHFFFAOYSA-N 0 0 290.250 3.653 50 5 CHBARN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1 ZINC000004831980 170025398 /nfs/dbraw/zinc/02/53/98/170025398.db2.gz LTSBSRAZIKXNMH-UHFFFAOYSA-N 0 0 262.696 3.860 50 5 CHBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000004891791 170037012 /nfs/dbraw/zinc/03/70/12/170037012.db2.gz YDNXLRBQOZWSIU-UHFFFAOYSA-N 0 0 286.331 3.832 50 5 CHBARN Cc1ccc(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000005109276 170066689 /nfs/dbraw/zinc/06/66/89/170066689.db2.gz SVYHJZGGXYUNIX-LBPRGKRZSA-N 0 0 285.299 3.553 50 5 CHBARN CCN(CC)c1cc(N(CC)CC)c([N+](=O)[O-])cc1Cl ZINC000005194492 170075183 /nfs/dbraw/zinc/07/51/83/170075183.db2.gz UUIRKGSCYOKGFD-UHFFFAOYSA-N 0 0 299.802 3.941 50 5 CHBARN O=[N+]([O-])c1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000005572483 170115031 /nfs/dbraw/zinc/11/50/31/170115031.db2.gz BXBBGUHDXADCOZ-UHFFFAOYSA-N 0 0 267.288 3.688 50 5 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3.695 50 5 CHBARN Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000001862194 566971107 /nfs/dbraw/zinc/97/11/07/566971107.db2.gz NNZJBPWLORXXGF-UHFFFAOYSA-N 0 0 291.690 3.776 50 5 CHBARN C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000017024408 567032155 /nfs/dbraw/zinc/03/21/55/567032155.db2.gz HWCBZJXWKBGIHZ-SECBINFHSA-N 0 0 297.742 3.512 50 5 CHBARN Cc1cc(NC(=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1C ZINC000095471000 567137019 /nfs/dbraw/zinc/13/70/19/567137019.db2.gz VAOGJPUFUICQPX-CYBMUJFWSA-N 0 0 298.342 3.954 50 5 CHBARN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000002760911 567153232 /nfs/dbraw/zinc/15/32/32/567153232.db2.gz JKJMPBDHRWVJJX-HNNXBMFYSA-N 0 0 298.342 3.784 50 5 CHBARN CC(C)(C)c1ccc(COc2cccnc2[N+](=O)[O-])cc1 ZINC000057471161 567158363 /nfs/dbraw/zinc/15/83/63/567158363.db2.gz IMBCGHTWOXQVHO-UHFFFAOYSA-N 0 0 286.331 3.866 50 5 CHBARN Cc1c(=O)c2cc(F)ccc2oc1-c1ccc([N+](=O)[O-])cc1 ZINC000003294593 567168417 /nfs/dbraw/zinc/16/84/17/567168417.db2.gz 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CC(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000129650 567923180 /nfs/dbraw/zinc/92/31/80/567923180.db2.gz QXORLMQUYPIOPY-UHFFFAOYSA-N 0 0 285.299 3.937 50 5 CHBARN Cc1ccc(-c2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000000118571 567923300 /nfs/dbraw/zinc/92/33/00/567923300.db2.gz IYSPBWMXDGTVOO-UHFFFAOYSA-N 0 0 287.300 3.682 50 5 CHBARN Cc1cc(Cl)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000131495 567923671 /nfs/dbraw/zinc/92/36/71/567923671.db2.gz KJEACGHIPNLLHD-UHFFFAOYSA-N 0 0 291.690 3.776 50 5 CHBARN O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000240710 567925313 /nfs/dbraw/zinc/92/53/13/567925313.db2.gz KVVNRXNSICWUSG-UHFFFAOYSA-N 0 0 276.679 3.501 50 5 CHBARN O=C(Nc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000000260665 567925670 /nfs/dbraw/zinc/92/56/70/567925670.db2.gz IVPCJXSMGVZNMK-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN Cc1cc([N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O ZINC000000259728 567925760 /nfs/dbraw/zinc/92/57/60/567925760.db2.gz OBGHPOMRBVPWLM-UHFFFAOYSA-N 0 0 281.267 3.677 50 5 CHBARN Cc1nnc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000000274087 567926009 /nfs/dbraw/zinc/92/60/09/567926009.db2.gz RIUSHQQEYWLWDR-UHFFFAOYSA-N 0 0 281.271 3.639 50 5 CHBARN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000000288690 567926068 /nfs/dbraw/zinc/92/60/68/567926068.db2.gz BANNHAORIHODIK-UHFFFAOYSA-N 0 0 290.706 3.525 50 5 CHBARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000000300950 567926570 /nfs/dbraw/zinc/92/65/70/567926570.db2.gz DFDDCJNNUNSRLF-HUUCEWRRSA-N 0 0 296.326 3.645 50 5 CHBARN O=C(Nc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005604012 567932938 /nfs/dbraw/zinc/93/29/38/567932938.db2.gz MGWCWWXAQJLGDE-UHFFFAOYSA-N 0 0 276.679 3.501 50 5 CHBARN Cc1oc2ccc(O)cc2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000539347 567942669 /nfs/dbraw/zinc/94/26/69/567942669.db2.gz LSJQEBFYNGYQLZ-UHFFFAOYSA-N 0 0 297.266 3.586 50 5 CHBARN Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 ZINC000000181099 570263350 /nfs/dbraw/zinc/26/33/50/570263350.db2.gz 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/nfs/dbraw/zinc/89/59/33/1120895933.db2.gz GWVPHUHCTRNEGG-UHFFFAOYSA-N 0 0 275.104 3.512 50 5 CHBARN Cc1cc(Cl)ccc1Nc1ccncc1[N+](=O)[O-] ZINC000005798720 1127485229 /nfs/dbraw/zinc/48/52/29/1127485229.db2.gz LVRHZHXEWOYHGJ-UHFFFAOYSA-N 0 0 263.684 3.695 50 5 CHBARN Cc1ccn(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=S)c1 ZINC000170613131 1127626329 /nfs/dbraw/zinc/62/63/29/1127626329.db2.gz VBQUYLZDFZRWNG-NSHDSACASA-N 0 0 290.344 3.624 50 5 CHBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2S1 ZINC000000062382 1117884911 /nfs/dbraw/zinc/88/49/11/1117884911.db2.gz BFJWEJHPELWPGR-AWEZNQCLSA-N 0 0 272.329 3.985 50 5 CHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000095468387 1120598663 /nfs/dbraw/zinc/59/86/63/1120598663.db2.gz RMKCGYANYAFVOM-XVJNWHFHSA-N 0 0 295.342 3.672 50 5 CHBARN Cc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000000471307 230366098 /nfs/dbraw/zinc/36/60/98/230366098.db2.gz CWJVZTJGMNDMGG-UHFFFAOYSA-N 0 0 295.298 3.544 50 5 CHBARN CC[C@H](Nc1ncc([N+](=O)[O-])s1)c1cccs1 ZINC000189684884 529681034 /nfs/dbraw/zinc/68/10/34/529681034.db2.gz DZPJKWHFOIACEA-ZETCQYMHSA-N 0 0 269.351 3.676 50 5 CHBARN CCCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000261493523 190039351 /nfs/dbraw/zinc/03/93/51/190039351.db2.gz CTBMWDGWHHXKDW-UHFFFAOYSA-N 0 0 263.215 3.793 50 5 CHBARN CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261493694 190039698 /nfs/dbraw/zinc/03/96/98/190039698.db2.gz HEJBHJQFNGWVRH-UHFFFAOYSA-N 0 0 286.715 3.620 50 5 CHBARN CCCCOc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000261493915 190039752 /nfs/dbraw/zinc/03/97/52/190039752.db2.gz LWLFEUKGSBLCQO-UHFFFAOYSA-N 0 0 263.215 3.793 50 5 CHBARN O=[N+]([O-])c1cc(Br)c(F)cc1C(F)(F)F ZINC000261493887 190039842 /nfs/dbraw/zinc/03/98/42/190039842.db2.gz LITRJNDEZMOHAK-UHFFFAOYSA-N 0 0 287.994 3.515 50 5 CHBARN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000101303 169536587 /nfs/dbraw/zinc/53/65/87/169536587.db2.gz QYZKJUMWEZZAFQ-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN CC(C)(C)c1ccc([N+](=O)[O-])cc1Br ZINC000000133417 169548863 /nfs/dbraw/zinc/54/88/63/169548863.db2.gz VIXSTSCFPDRETO-UHFFFAOYSA-N 0 0 258.115 3.655 50 5 CHBARN Cc1cc(Oc2ncccc2[N+](=O)[O-])c2ccccc2n1 ZINC000000167118 169561001 /nfs/dbraw/zinc/56/10/01/169561001.db2.gz IYTJCOOFSKHBET-UHFFFAOYSA-N 0 0 281.271 3.639 50 5 CHBARN CC[C@H]([C@@H](Nc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000000187280 169568211 /nfs/dbraw/zinc/56/82/11/169568211.db2.gz WRADNUIDLCNSHF-CVEARBPZSA-N 0 0 270.332 3.895 50 5 CHBARN O=C(Nc1cccc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000000210711 169576224 /nfs/dbraw/zinc/57/62/24/169576224.db2.gz IARGGXKTSAVTCK-UHFFFAOYSA-N 0 0 296.326 3.726 50 5 CHBARN Cc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000000442317 169641595 /nfs/dbraw/zinc/64/15/95/169641595.db2.gz YSOMNKJQXKXVPD-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=[N+]([O-])c1ccc(-c2noc(C3CCCCC3)n2)cc1 ZINC000002956222 184528256 /nfs/dbraw/zinc/52/82/56/184528256.db2.gz QCKSSCILOJWUDG-UHFFFAOYSA-N 0 0 273.292 3.693 50 5 CHBARN CC(=O)[C@H](C)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000501113 169657407 /nfs/dbraw/zinc/65/74/07/169657407.db2.gz PBGVVXOPIXJLHN-LBPRGKRZSA-N 0 0 296.322 3.611 50 5 biogenic CHBARN CCCC[C@H](CC)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003071621 169852463 /nfs/dbraw/zinc/85/24/63/169852463.db2.gz XYLYSNQGXATQBX-LBPRGKRZSA-N 0 0 278.352 3.541 50 5 CHBARN Cc1noc(/C=C/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000003661956 169906566 /nfs/dbraw/zinc/90/65/66/169906566.db2.gz DKPBCIGIONEFBT-NXZHAISVSA-N 0 0 256.261 3.618 50 5 CHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1 ZINC000004695619 170000111 /nfs/dbraw/zinc/00/01/11/170000111.db2.gz AQOLTEPSVITUJK-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN O=C(CCCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000004755464 170012571 /nfs/dbraw/zinc/01/25/71/170012571.db2.gz WVTBNVXPYAZZIR-UHFFFAOYSA-N 0 0 284.315 3.556 50 5 CHBARN Cc1ccc(NC(=O)Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004799773 170019315 /nfs/dbraw/zinc/01/93/15/170019315.db2.gz IXOHRYGHYKOMRW-UHFFFAOYSA-N 0 0 290.250 3.653 50 5 CHBARN CCCCOc1ccc([N+](=O)[O-])cc1OCCCC ZINC000004831669 170025335 /nfs/dbraw/zinc/02/53/35/170025335.db2.gz IAIKYWPFNZRZMG-UHFFFAOYSA-N 0 0 267.325 3.953 50 5 CHBARN O=Cc1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1 ZINC000005073538 170064163 /nfs/dbraw/zinc/06/41/63/170064163.db2.gz FFUSCPQVEJMTEU-UHFFFAOYSA-N 0 0 281.271 3.632 50 5 CHBARN O=C(OCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005112850 170067002 /nfs/dbraw/zinc/06/70/02/170067002.db2.gz ZZWKHWMSPPCGDY-UHFFFAOYSA-N 0 0 291.690 3.605 50 5 CHBARN CCc1cccc(CC)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000005477445 170103140 /nfs/dbraw/zinc/10/31/40/170103140.db2.gz VSXSXJCJXSVXQL-UHFFFAOYSA-N 0 0 298.342 3.972 50 5 CHBARN O=[N+]([O-])c1cc(Cl)ccc1[S@@](=O)Cc1ccccc1 ZINC000005769206 170138911 /nfs/dbraw/zinc/13/89/11/170138911.db2.gz QVBGKTCCLFJSGR-LJQANCHMSA-N 0 0 295.747 3.556 50 5 CHBARN Cc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1C ZINC000006339781 170193951 /nfs/dbraw/zinc/19/39/51/170193951.db2.gz PLPUXUUNRICOIT-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN COc1ccc(NC(=O)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000006675603 170225279 /nfs/dbraw/zinc/22/52/79/170225279.db2.gz FLEURLMBRBVTBN-UHFFFAOYSA-N 0 0 292.335 3.512 50 5 CHBARN CCCCC[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000008427693 170336277 /nfs/dbraw/zinc/33/62/77/170336277.db2.gz NIXYHUYCLHDPQA-GFCCVEGCSA-N 0 0 278.352 3.602 50 5 CHBARN O=[N+]([O-])c1ccc2nc(/C=C/c3ccncc3)sc2c1 ZINC000009339213 170373079 /nfs/dbraw/zinc/37/30/79/170373079.db2.gz NSTRDNCJOMFWLS-DAFODLJHSA-N 0 0 283.312 3.770 50 5 CHBARN C[C@@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000013011732 170527890 /nfs/dbraw/zinc/52/78/90/170527890.db2.gz VGPMBFOSYMYQPN-NSHDSACASA-N 0 0 297.314 3.933 50 5 CHBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000015172060 170658752 /nfs/dbraw/zinc/65/87/52/170658752.db2.gz CJXDMQWLRHYHOE-SECBINFHSA-N 0 0 277.711 3.816 50 5 CHBARN CCCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000020563740 171252853 /nfs/dbraw/zinc/25/28/53/171252853.db2.gz GBDSMKOOMVBSMF-UHFFFAOYSA-N 0 0 273.130 3.569 50 5 CHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000022806576 171399954 /nfs/dbraw/zinc/39/99/54/171399954.db2.gz SUSZHVREWIWFMO-SECBINFHSA-N 0 0 277.711 3.816 50 5 CHBARN Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000043346271 175017262 /nfs/dbraw/zinc/01/72/62/175017262.db2.gz BBRFVGMZJQFZBR-ZYHUDNBSSA-N 0 0 291.351 3.603 50 5 CHBARN COCCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000072037923 176309930 /nfs/dbraw/zinc/30/99/30/176309930.db2.gz IRJJVVRHIDZGJX-UHFFFAOYSA-N 0 0 292.360 3.606 50 5 CHBARN C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000024233780 260127502 /nfs/dbraw/zinc/12/75/02/260127502.db2.gz ZQKYWYMUIGUOQW-SECBINFHSA-N 0 0 291.332 3.539 50 5 CHBARN CCOC(=O)C(=O)c1c2ccccc2cc2ccccc21 ZINC000001631236 566821772 /nfs/dbraw/zinc/82/17/72/566821772.db2.gz NMSGHOZZHPACLJ-UHFFFAOYSA-N 0 0 278.307 3.739 50 5 CHBARN O=c1sc2ccccc2n1/C=C\c1ccccc1[N+](=O)[O-] ZINC000210950217 566829002 /nfs/dbraw/zinc/82/90/02/566829002.db2.gz RZOHWNJMUVPGHP-KTKRTIGZSA-N 0 0 298.323 3.599 50 5 CHBARN C[C@@H](c1ccccc1)n1cnc2cc([N+](=O)[O-])ccc21 ZINC000001060302 566837428 /nfs/dbraw/zinc/83/74/28/566837428.db2.gz IWGVZBKCNAMNAE-NSHDSACASA-N 0 0 267.288 3.554 50 5 CHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000003898145 566842845 /nfs/dbraw/zinc/84/28/45/566842845.db2.gz JKUFTSLAJUZNNM-UHFFFAOYSA-N 0 0 276.679 3.501 50 5 in-vitro CHBARN O=[N+]([O-])c1ccccc1OCc1cc(F)cc2cccnc21 ZINC000031606630 566844290 /nfs/dbraw/zinc/84/42/90/566844290.db2.gz GIYGPEIPJCILCO-UHFFFAOYSA-N 0 0 298.273 3.861 50 5 CHBARN COc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000012557627 566849985 /nfs/dbraw/zinc/84/99/85/566849985.db2.gz ZQTNTXAOLHUNKE-UHFFFAOYSA-N 0 0 295.298 3.895 50 5 CHBARN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015538847 566881638 /nfs/dbraw/zinc/88/16/38/566881638.db2.gz LPNSTEVYYKPWLW-ZDUSSCGKSA-N 0 0 298.342 3.518 50 5 CHBARN C[C@@H]1CC[C@@H](C)N1c1ccc(Br)cc1[N+](=O)[O-] ZINC000084689521 566884081 /nfs/dbraw/zinc/88/40/81/566884081.db2.gz LSDRUSWNMGWFJC-RKDXNWHRSA-N 0 0 299.168 3.735 50 5 CHBARN O[C@H]1CCc2cc3ccc4cccc5ccc(c3c45)c2[C@@H]1O ZINC000006094734 566913842 /nfs/dbraw/zinc/91/38/42/566913842.db2.gz HWHYAMCEKZOBEK-OXJNMPFZSA-N 0 0 288.346 3.925 50 5 CHBARN CC[C@]1(c2ccccc2)N(C)c2ccc([N+](=O)[O-])cc2N1C ZINC000075252267 566937452 /nfs/dbraw/zinc/93/74/52/566937452.db2.gz QJDPOLXJQOVQCN-KRWDZBQOSA-N 0 0 297.358 3.744 50 5 CHBARN Cc1noc(/C=C\c2c[nH]c3ccccc23)c1[N+](=O)[O-] ZINC000045823857 567091203 /nfs/dbraw/zinc/09/12/03/567091203.db2.gz TYTUJIWHWSNPNS-SREVYHEPSA-N 0 0 269.260 3.543 50 5 CHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CC(F)(F)F ZINC000066323302 567112127 /nfs/dbraw/zinc/11/21/27/567112127.db2.gz CALVOVXZHZYLOT-UHFFFAOYSA-N 0 0 273.132 3.718 50 5 CHBARN Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000002521007 567146974 /nfs/dbraw/zinc/14/69/74/567146974.db2.gz NXYUJFXMYHKXJZ-UHFFFAOYSA-N 0 0 298.342 3.897 50 5 CHBARN O=[N+]([O-])c1cc(Cl)c(Cl)c(C(F)(F)F)c1 ZINC000002540268 567149294 /nfs/dbraw/zinc/14/92/94/567149294.db2.gz DPOBIBPWXIPEHF-UHFFFAOYSA-N 0 0 259.998 3.920 50 5 CHBARN Cc1ccc(NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000002889961 567152245 /nfs/dbraw/zinc/15/22/45/567152245.db2.gz UDUSRIUSQLXMIF-UHFFFAOYSA-N 0 0 289.266 3.686 50 5 CHBARN C[C@H](/C=C/c1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003080870 567160159 /nfs/dbraw/zinc/16/01/59/567160159.db2.gz GXXBDZAGQLEVES-SBDDDAINSA-N 0 0 297.310 3.854 50 5 CHBARN CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003137136 567160560 /nfs/dbraw/zinc/16/05/60/567160560.db2.gz MNAALDAFPOJOIU-LURJTMIESA-N 0 0 258.661 3.670 50 5 CHBARN Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000003317237 567168731 /nfs/dbraw/zinc/16/87/31/567168731.db2.gz POWCXBRKFDUZKE-UHFFFAOYSA-N 0 0 285.299 3.569 50 5 CHBARN Cc1cc(NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1C ZINC000004300154 567192344 /nfs/dbraw/zinc/19/23/44/567192344.db2.gz MYSZGFLDQABFEU-UHFFFAOYSA-N 0 0 288.278 3.603 50 5 CHBARN Cc1ccc2nc3c4ccccc4oc(=O)c3cc2c1 ZINC000000174013 567821368 /nfs/dbraw/zinc/82/13/68/567821368.db2.gz AKTSTRRLOLYTSZ-UHFFFAOYSA-N 0 0 261.280 3.803 50 5 CHBARN O=C(CC1CCC1)Nc1cccc2c1cccc2[N+](=O)[O-] ZINC000004380742 567864306 /nfs/dbraw/zinc/86/43/06/567864306.db2.gz QLOAAGWVXBLHQE-UHFFFAOYSA-N 0 0 284.315 3.877 50 5 CHBARN O=[N+]([O-])c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000036719632 567889681 /nfs/dbraw/zinc/88/96/81/567889681.db2.gz DXLUEKWTNGVEIZ-UHFFFAOYSA-N 0 0 263.680 3.827 50 5 CHBARN CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000004612449 567893745 /nfs/dbraw/zinc/89/37/45/567893745.db2.gz POPOFVNWGIWNGF-LOWQCSRCSA-N 0 0 274.364 3.873 50 5 CHBARN CCOC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000004611700 567893878 /nfs/dbraw/zinc/89/38/78/567893878.db2.gz RMXOKWDCOUZLTK-UHFFFAOYSA-N 0 0 285.708 3.640 50 5 CHBARN O=[N+]([O-])c1ccc(Nc2nc(-c3cccnc3)cs2)cc1 ZINC000004688514 567901643 /nfs/dbraw/zinc/90/16/43/567901643.db2.gz 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/nfs/dbraw/zinc/92/34/96/567923496.db2.gz NBGFAIQGKHOANV-UHFFFAOYSA-N 0 0 298.342 3.972 50 5 CHBARN O=[N+]([O-])c1cccnc1Sc1ccc(Cl)cc1 ZINC000000152745 567923837 /nfs/dbraw/zinc/92/38/37/567923837.db2.gz ANCQATHISNEWKS-UHFFFAOYSA-N 0 0 266.709 3.794 50 5 CHBARN CCc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000207963 567924928 /nfs/dbraw/zinc/92/49/28/567924928.db2.gz RCBUIDCZPDAOPJ-ZHACJKMWSA-N 0 0 296.326 3.809 50 5 CHBARN CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000243777 567925412 /nfs/dbraw/zinc/92/54/12/567925412.db2.gz FTFRYWLQWIWPTQ-UHFFFAOYSA-N 0 0 288.328 3.704 50 5 CHBARN COc1ccc(C)cc1NCc1ccccc1[N+](=O)[O-] ZINC000000263792 567925789 /nfs/dbraw/zinc/92/57/89/567925789.db2.gz SYSPQFQVPGHGTA-UHFFFAOYSA-N 0 0 272.304 3.524 50 5 CHBARN Cc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1 ZINC000000294164 567926043 /nfs/dbraw/zinc/92/60/43/567926043.db2.gz XDPAIPMOMWBKEL-UHFFFAOYSA-N 0 0 268.272 3.553 50 5 CHBARN CCc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000000349731 567927034 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ZINC000000463619 570272760 /nfs/dbraw/zinc/27/27/60/570272760.db2.gz FSCGHJPBJXEAPI-UHFFFAOYSA-N 0 0 295.298 3.874 50 5 CHBARN Cc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C ZINC000003281798 570275067 /nfs/dbraw/zinc/27/50/67/570275067.db2.gz VMRFTOODHOTFTL-UXBLZVDNSA-N 0 0 297.310 3.830 50 5 CHBARN CC(=O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1F ZINC000069811194 570402640 /nfs/dbraw/zinc/40/26/40/570402640.db2.gz SAJWPJNCHCSFAV-UHFFFAOYSA-N 0 0 289.262 3.516 50 5 CHBARN O=[N+]([O-])c1ccc2[nH]c(SCc3ccccc3)nc2c1 ZINC000016480861 1125544709 /nfs/dbraw/zinc/54/47/09/1125544709.db2.gz KTGYNDFRERJSAU-UHFFFAOYSA-N 0 0 285.328 3.763 50 5 CHBARN O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1F ZINC000094986223 1125774289 /nfs/dbraw/zinc/77/42/89/1125774289.db2.gz BLZIPKYFWXKJNI-UHFFFAOYSA-N 0 0 287.994 3.515 50 5 CHBARN CC(C)SCCCCOc1ccccc1[N+](=O)[O-] ZINC000023115354 1119260979 /nfs/dbraw/zinc/26/09/79/1119260979.db2.gz RLACMICGHZZLLB-UHFFFAOYSA-N 0 0 269.366 3.895 50 5 CHBARN Cc1cc(Oc2ccc(F)cc2)c(F)cc1[N+](=O)[O-] ZINC000000437789 1119575230 /nfs/dbraw/zinc/57/52/30/1119575230.db2.gz YUUNOLFDNFPXAC-UHFFFAOYSA-N 0 0 265.215 3.974 50 5 CHBARN Cc1c(OCc2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000047355531 1120647402 /nfs/dbraw/zinc/64/74/02/1120647402.db2.gz XMZLBWZOMXWUSV-UHFFFAOYSA-N 0 0 284.271 3.623 50 5 CHBARN Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000614345 1125422819 /nfs/dbraw/zinc/42/28/19/1125422819.db2.gz UHPGMRPFIQJHJD-UHFFFAOYSA-N 0 0 257.289 3.791 50 5 CHBARN Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000471771 230366139 /nfs/dbraw/zinc/36/61/39/230366139.db2.gz YNVNEXMQJDDTRV-CYBMUJFWSA-N 0 0 298.342 3.954 50 5 CHBARN CC(C)(C)OC(=O)N=c1[nH]c2ccc([N+](=O)[O-])cc2s1 ZINC000095705271 185017855 /nfs/dbraw/zinc/01/78/55/185017855.db2.gz GMZUPMHKXNVDNK-UHFFFAOYSA-N 0 0 295.320 3.552 50 5 CHBARN Cc1nn(CC2CCC(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000095992772 185059290 /nfs/dbraw/zinc/05/92/90/185059290.db2.gz YGGRRRXKXLBWRT-UHFFFAOYSA-N 0 0 265.357 3.625 50 5 CHBARN CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000261493482 190039048 /nfs/dbraw/zinc/03/90/48/190039048.db2.gz BYSWAUMXSINRJZ-UHFFFAOYSA-N 0 0 250.081 3.690 50 5 CHBARN Cc1cccc(C)c1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000129533 169546794 /nfs/dbraw/zinc/54/67/94/169546794.db2.gz OWXXBUFQPMAGFQ-MDZDMXLPSA-N 0 0 297.310 3.830 50 5 CHBARN COc1ccc([N+](=O)[O-])c2cc3ccccc3cc12 ZINC000000345443 169612883 /nfs/dbraw/zinc/61/28/83/169612883.db2.gz GJGGUFUXWDXASP-UHFFFAOYSA-N 0 0 253.257 3.910 50 5 CHBARN O=[N+]([O-])c1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000004082413 184531023 /nfs/dbraw/zinc/53/10/23/184531023.db2.gz JIQGDZIFVHNNPF-UHFFFAOYSA-N 0 0 291.307 3.805 50 5 CHBARN CC(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001284173 169693930 /nfs/dbraw/zinc/69/39/30/169693930.db2.gz CPTZYZONRUYLRK-UHFFFAOYSA-N 0 0 284.315 3.971 50 5 CHBARN Cc1c2cc([N+](=O)[O-])ccc2oc1C(=O)c1ccccc1 ZINC000001385019 169697538 /nfs/dbraw/zinc/69/75/38/169697538.db2.gz LFQBPZMWMNZWET-UHFFFAOYSA-N 0 0 281.267 3.880 50 5 CHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(F)c1 ZINC000001753336 169754817 /nfs/dbraw/zinc/75/48/17/169754817.db2.gz ITDLGYNNVUOGDE-UHFFFAOYSA-N 0 0 289.266 3.686 50 5 CHBARN CCCCC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003154998 169861130 /nfs/dbraw/zinc/86/11/30/169861130.db2.gz CDLBHTDMEJGALB-CNELAYHGSA-N 0 0 290.363 3.693 50 5 CHBARN O=[N+]([O-])C[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000003278419 169874877 /nfs/dbraw/zinc/87/48/77/169874877.db2.gz WQMAXEWGZZQYED-GFCCVEGCSA-N 0 0 272.329 3.638 50 5 CHBARN C/C(=C\c1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004673531 169996889 /nfs/dbraw/zinc/99/68/89/169996889.db2.gz NMBUIEDXYIGYMS-ACCUITESSA-N 0 0 296.326 3.945 50 5 CHBARN CC[C@@H](C)Oc1c(Cl)cc(/C=C\[N+](=O)[O-])cc1OC ZINC000004739806 170008284 /nfs/dbraw/zinc/00/82/84/170008284.db2.gz MFBBBQDHJFZUGP-SSJHQANKSA-N 0 0 285.727 3.773 50 5 CHBARN CC(=O)[C@H](C)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 ZINC000004747435 170011181 /nfs/dbraw/zinc/01/11/81/170011181.db2.gz BBUVHASKUIIMSI-LBPRGKRZSA-N 0 0 296.322 3.611 50 5 biogenic CHBARN Cc1noc(/C=C/c2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC000004770744 170014149 /nfs/dbraw/zinc/01/41/49/170014149.db2.gz XXJALFYXTKNCQR-AATRIKPKSA-N 0 0 282.658 3.854 50 5 CHBARN Cc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000004859525 170032381 /nfs/dbraw/zinc/03/23/81/170032381.db2.gz XWRHEBCJNDJWBE-UHFFFAOYSA-N 0 0 296.282 3.753 50 5 CHBARN CSc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000005222855 170077342 /nfs/dbraw/zinc/07/73/42/170077342.db2.gz XALQWKMQNQROJB-UHFFFAOYSA-N 0 0 288.328 3.569 50 5 CHBARN Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC000005610969 170119486 /nfs/dbraw/zinc/11/94/86/170119486.db2.gz NFOOEEKBUFGWBS-UHFFFAOYSA-N 0 0 296.326 3.644 50 5 CHBARN CCc1cccc(C)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000005667724 170125663 /nfs/dbraw/zinc/12/56/63/170125663.db2.gz UJJCGHCDLLEERU-UHFFFAOYSA-N 0 0 298.342 3.647 50 5 CHBARN Cc1ccc(NC(=S)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000005897411 170152070 /nfs/dbraw/zinc/15/20/70/170152070.db2.gz BJSQUVLQKHGERI-UHFFFAOYSA-N 0 0 287.344 3.712 50 5 CHBARN CC[C@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000006120135 170177677 /nfs/dbraw/zinc/17/76/77/170177677.db2.gz BCEJQVARPFUUKC-STQMWFEESA-N 0 0 292.379 3.563 50 5 CHBARN O=C(Nc1cccc(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006331366 170192147 /nfs/dbraw/zinc/19/21/47/170192147.db2.gz AAPFJQWLTHPBOI-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN Cc1ccc(Cl)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006788833 170244160 /nfs/dbraw/zinc/24/41/60/170244160.db2.gz YKUIVEZIYXPYFN-UHFFFAOYSA-N 0 0 291.690 3.776 50 5 CHBARN O=[N+]([O-])c1ncccc1OCc1ccc(Cl)cc1Cl ZINC000007044752 170263649 /nfs/dbraw/zinc/26/36/49/170263649.db2.gz RQQZBLDNDZDVNR-UHFFFAOYSA-N 0 0 299.113 3.876 50 5 CHBARN O=[N+]([O-])c1ccc(OCc2cc(-c3ccccc3)on2)cc1 ZINC000007889641 170306313 /nfs/dbraw/zinc/30/63/13/170306313.db2.gz YBEOAUKBLCEEML-UHFFFAOYSA-N 0 0 296.282 3.829 50 5 CHBARN C[C@@H]1Cc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000008119038 170319861 /nfs/dbraw/zinc/31/98/61/170319861.db2.gz BZBGWGUYKSDSSD-GFCCVEGCSA-N 0 0 268.316 3.546 50 5 CHBARN NC(=S)Nc1cccc2cc3ccccc3cc21 ZINC000008855122 170357327 /nfs/dbraw/zinc/35/73/27/170357327.db2.gz CUUKGXSPDGJRTM-UHFFFAOYSA-N 0 0 252.342 3.649 50 5 CHBARN CCC[C@@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000008994717 170361094 /nfs/dbraw/zinc/36/10/94/170361094.db2.gz GVPCLMUSBYPYDC-MRVPVSSYSA-N 0 0 293.348 3.579 50 5 CHBARN CCCN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000009095382 170363622 /nfs/dbraw/zinc/36/36/22/170363622.db2.gz LBWLTAVXZAXPOX-UHFFFAOYSA-N 0 0 298.342 3.960 50 5 CHBARN CCc1ccccc1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000012082666 170468686 /nfs/dbraw/zinc/46/86/86/170468686.db2.gz NQYGVAVJEZISOT-UHFFFAOYSA-N 0 0 294.314 3.844 50 5 CHBARN Cc1cc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000040072711 174186871 /nfs/dbraw/zinc/18/68/71/174186871.db2.gz YOSOCLYSGGLJTA-UHFFFAOYSA-N 0 0 295.298 3.637 50 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ZINC000000466513 570272755 /nfs/dbraw/zinc/27/27/55/570272755.db2.gz NTOCDHPKJBGUPD-UHFFFAOYSA-N 0 0 284.315 3.570 50 5 CHBARN O=[N+]([O-])c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000002025673 570358604 /nfs/dbraw/zinc/35/86/04/570358604.db2.gz AEJUUUJRUDHVBS-UHFFFAOYSA-N 0 0 276.273 3.654 50 5 CHBARN O=[N+]([O-])c1ccc(F)c(-c2cc(F)ccc2F)c1 ZINC000675070113 570366675 /nfs/dbraw/zinc/36/66/75/570366675.db2.gz PTMDTSNVLVWNCI-UHFFFAOYSA-N 0 0 253.179 3.679 50 5 CHBARN CCC(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002742923 570398352 /nfs/dbraw/zinc/39/83/52/570398352.db2.gz QOOCLJOHWBTOKY-UHFFFAOYSA-N 0 0 270.716 3.623 50 5 CHBARN O=[N+]([O-])c1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000040951235 1125630668 /nfs/dbraw/zinc/63/06/68/1125630668.db2.gz HETXJBGOMDDJSY-UHFFFAOYSA-N 0 0 258.208 3.542 50 5 CHBARN Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000000437811 1119575421 /nfs/dbraw/zinc/57/54/21/1119575421.db2.gz HZHVEGOSEMPXNH-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000446436 1119589371 /nfs/dbraw/zinc/58/93/71/1119589371.db2.gz FGOWFHHPAXCALY-UHFFFAOYSA-N 0 0 284.315 3.588 50 5 CHBARN CC1(C)O[C@@H](c2ccc([N+](=O)[O-])o2)Nc2ccccc21 ZINC000034132221 1120316905 /nfs/dbraw/zinc/31/69/05/1120316905.db2.gz RRNLJVVCMGCOLT-ZDUSSCGKSA-N 0 0 274.276 3.564 50 5 CHBARN O=[N+]([O-])c1cc(-c2ccno2)c(Cl)cc1Cl ZINC000004996652 1120942361 /nfs/dbraw/zinc/94/23/61/1120942361.db2.gz OXUWUHSZAUDIFW-UHFFFAOYSA-N 0 0 259.048 3.557 50 5 CHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000000860143 1125424769 /nfs/dbraw/zinc/42/47/69/1125424769.db2.gz HSJCUTPJMFFQED-UHFFFAOYSA-N 0 0 282.727 3.767 50 5 CHBARN C/C(=C\C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000098042650 1129640635 /nfs/dbraw/zinc/64/06/35/1129640635.db2.gz MXQBZIWYDRFABN-USKTWTLRSA-N 0 0 275.304 3.555 50 5 CHBARN Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000000471781 230366105 /nfs/dbraw/zinc/36/61/05/230366105.db2.gz QKXISELKWRUJMU-UHFFFAOYSA-N 0 0 257.289 3.791 50 5 CHBARN O=[N+]([O-])c1ccc(Oc2cc(F)c(F)c(F)c2)cc1 ZINC000095836327 185029855 /nfs/dbraw/zinc/02/98/55/185029855.db2.gz GUMXSEHNBDPWNG-UHFFFAOYSA-N 0 0 269.178 3.804 50 5 CHBARN CCCN(C(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000194141168 189655376 /nfs/dbraw/zinc/65/53/76/189655376.db2.gz SNDTVMTXAYJPMM-UHFFFAOYSA-N 0 0 290.344 3.713 50 5 CHBARN O=[N+]([O-])c1ccc(C(F)(F)F)cc1OC1CCCC1 ZINC000261494418 190039784 /nfs/dbraw/zinc/03/97/84/190039784.db2.gz XCKWYCGVHSFPSF-UHFFFAOYSA-N 0 0 275.226 3.935 50 5 CHBARN CC(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000067946 169524940 /nfs/dbraw/zinc/52/49/40/169524940.db2.gz WOIOOHBTONFDSI-UHFFFAOYSA-N 0 0 298.342 3.646 50 5 CHBARN N#CCc1c2ccn(Cc3ccccc3)c2ccc1[N+](=O)[O-] ZINC000000114729 169540724 /nfs/dbraw/zinc/54/07/24/169540724.db2.gz NXNXQRLLOROGPU-UHFFFAOYSA-N 0 0 291.310 3.664 50 5 CHBARN Cc1cc(Cl)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000000132650 169548259 /nfs/dbraw/zinc/54/82/59/169548259.db2.gz PVKUXWMLOZIQDP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/50/40/05/169504005.db2.gz QJBZDBLBQWFTPZ-UHFFFAOYSA-N 0 0 257.076 3.897 50 5 in-man CHBARN CCOC(=O)c1ccc(Oc2sccc2[N+](=O)[O-])cc1 ZINC000000149620 169554600 /nfs/dbraw/zinc/55/46/00/169554600.db2.gz RQGCKYCFUXUGEQ-UHFFFAOYSA-N 0 0 293.300 3.625 50 5 CHBARN CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000000246194 169585997 /nfs/dbraw/zinc/58/59/97/169585997.db2.gz IMXCBQSHRNLOSH-UHFFFAOYSA-N 0 0 298.342 3.566 50 5 CHBARN Cc1cc(F)ccc1NCc1ccccc1[N+](=O)[O-] ZINC000000293482 169599547 /nfs/dbraw/zinc/59/95/47/169599547.db2.gz LLCLJJUVMRHIPN-UHFFFAOYSA-N 0 0 260.268 3.654 50 5 CHBARN Cc1c(NC(=O)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000001052080 169687004 /nfs/dbraw/zinc/68/70/04/169687004.db2.gz LVSTUJBWBBDBOH-UHFFFAOYSA-N 0 0 296.735 3.870 50 5 CHBARN Cc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004113852 169934167 /nfs/dbraw/zinc/93/41/67/169934167.db2.gz PDSPDJCCUKPKTC-UHFFFAOYSA-N 0 0 290.706 3.809 50 5 CHBARN Cc1cccc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004794823 170018238 /nfs/dbraw/zinc/01/82/38/170018238.db2.gz SKNZLXGUBQBATO-UHFFFAOYSA-N 0 0 285.303 3.856 50 5 CHBARN Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000004794798 170018686 /nfs/dbraw/zinc/01/86/86/170018686.db2.gz KQJSNQPZXALUGP-UHFFFAOYSA-N 0 0 285.303 3.856 50 5 CHBARN CCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004822700 170023951 /nfs/dbraw/zinc/02/39/51/170023951.db2.gz KIOIMQYFPCKFNK-UHFFFAOYSA-N 0 0 287.275 3.661 50 5 CHBARN CC[C@H](C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000004841934 170028499 /nfs/dbraw/zinc/02/84/99/170028499.db2.gz APYQNDVCRCGIEW-JTQLQIEISA-N 0 0 288.303 3.954 50 5 CHBARN O=C(CCC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000004845371 170029506 /nfs/dbraw/zinc/02/95/06/170029506.db2.gz CMFBDLKDTLUTTP-UHFFFAOYSA-N 0 0 276.336 3.894 50 5 CHBARN Cc1ccc(C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000004894425 170037191 /nfs/dbraw/zinc/03/71/91/170037191.db2.gz BSUDPFRNLMLMRD-UHFFFAOYSA-N 0 0 284.315 3.772 50 5 CHBARN O=[N+]([O-])c1ccccc1Nc1ccc(F)cc1F ZINC000004933957 170042209 /nfs/dbraw/zinc/04/22/09/170042209.db2.gz WMLCAYVRBXFGDX-UHFFFAOYSA-N 0 0 250.204 3.617 50 5 CHBARN O=[N+]([O-])c1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2 ZINC000005390877 170093780 /nfs/dbraw/zinc/09/37/80/170093780.db2.gz KCSURCKZGJUTCH-UHFFFAOYSA-N 0 0 289.272 3.711 50 5 CHBARN O=[N+]([O-])c1cccc(-c2csc(Nc3ccccn3)n2)c1 ZINC000005590475 170116802 /nfs/dbraw/zinc/11/68/02/170116802.db2.gz FKGISWGWEMFLHP-UHFFFAOYSA-N 0 0 298.327 3.857 50 5 CHBARN O=C(Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000005679593 170127641 /nfs/dbraw/zinc/12/76/41/170127641.db2.gz KVPMAMRTEMBHKW-UHFFFAOYSA-N 0 0 294.669 3.640 50 5 CHBARN Nc1cc(SC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000005936365 170158230 /nfs/dbraw/zinc/15/82/30/170158230.db2.gz WARDSNBFFKRZAZ-UHFFFAOYSA-N 0 0 252.339 3.602 50 5 CHBARN Cc1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000005970417 170164201 /nfs/dbraw/zinc/16/42/01/170164201.db2.gz ZFTOKHQMJFHEBV-UHFFFAOYSA-N 0 0 278.695 3.531 50 5 CHBARN CN(Cc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000022804734 171399253 /nfs/dbraw/zinc/39/92/53/171399253.db2.gz YRPUATAOCWQEFZ-UHFFFAOYSA-N 0 0 299.374 3.924 50 5 CHBARN Cc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 ZINC000023030385 171406340 /nfs/dbraw/zinc/40/63/40/171406340.db2.gz WAHLDGNLCJTHTP-HNNXBMFYSA-N 0 0 283.331 3.640 50 5 CHBARN CC(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000038537864 174145411 /nfs/dbraw/zinc/14/54/11/174145411.db2.gz SUIOMWQYRMBEHM-UHFFFAOYSA-N 0 0 273.130 3.568 50 5 CHBARN CC(C)(C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000038537491 174145646 /nfs/dbraw/zinc/14/56/46/174145646.db2.gz RYOITTMHFVTIQN-UHFFFAOYSA-N 0 0 273.130 3.568 50 5 CHBARN Cc1cc([N+](=O)[O-])c(-c2ccc(C=O)o2)cc1Cl ZINC000040541565 174322427 /nfs/dbraw/zinc/32/24/27/174322427.db2.gz LRFNSFAESMGDAP-UHFFFAOYSA-N 0 0 265.652 3.629 50 5 CHBARN Cc1c(NC(=O)N[C@H]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000043346269 175017397 /nfs/dbraw/zinc/01/73/97/175017397.db2.gz BBRFVGMZJQFZBR-JQWIXIFHSA-N 0 0 291.351 3.603 50 5 CHBARN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044416522 175172711 /nfs/dbraw/zinc/17/27/11/175172711.db2.gz RINDMNJRVBMIDW-TZMCWYRMSA-N 0 0 254.289 3.563 50 5 CHBARN CC(C)(C)Nc1ccc([N+](=O)[O-])cc1OC(F)(F)F ZINC000074937739 176637782 /nfs/dbraw/zinc/63/77/82/176637782.db2.gz DJNGJEYVRZPVIX-UHFFFAOYSA-N 0 0 278.230 3.704 50 5 CHBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccco3)o2)c(Cl)c1 ZINC000000276099 518203014 /nfs/dbraw/zinc/20/30/14/518203014.db2.gz AUVNMQQZUDAKOH-UHFFFAOYSA-N 0 0 291.650 3.558 50 5 CHBARN Cc1cc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2[nH]1 ZINC000031653503 566842213 /nfs/dbraw/zinc/84/22/13/566842213.db2.gz QAKLUCZMXPXLJI-UHFFFAOYSA-N 0 0 268.276 3.523 50 5 CHBARN O=[N+]([O-])c1c(Oc2ccc(Cl)cc2)nc2sccn21 ZINC000001395924 566872045 /nfs/dbraw/zinc/87/20/45/566872045.db2.gz VWXBRQBVEYZNLA-UHFFFAOYSA-N 0 0 295.707 3.750 50 5 CHBARN Nc1ccc(/C=C/c2ccnc3ccccc23)c([N+](=O)[O-])c1 ZINC000036382851 567000620 /nfs/dbraw/zinc/00/06/20/567000620.db2.gz 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/nfs/dbraw/zinc/16/04/82/567160482.db2.gz GKUNMCNWNGRCJW-UHFFFAOYSA-N 0 0 299.326 3.995 50 5 CHBARN Cc1ccc(C)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000003318509 567167597 /nfs/dbraw/zinc/16/75/97/567167597.db2.gz FCOKRWSBPIYQPK-UHFFFAOYSA-N 0 0 285.299 3.569 50 5 CHBARN CCOc1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000030822784 567172336 /nfs/dbraw/zinc/17/23/36/567172336.db2.gz MMUYXXXUXMGKSA-UHFFFAOYSA-N 0 0 272.304 3.606 50 5 CHBARN Cc1ccc(NC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000004041157 567185252 /nfs/dbraw/zinc/18/52/52/567185252.db2.gz UALLTSVOFWIKGT-UHFFFAOYSA-N 0 0 271.276 3.547 50 5 CHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccco1 ZINC000004158473 567190146 /nfs/dbraw/zinc/19/01/46/567190146.db2.gz RLLQMCBJNDRXGR-UHFFFAOYSA-N 0 0 286.209 3.819 50 5 in-vitro CHBARN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=O ZINC000004179493 567190630 /nfs/dbraw/zinc/19/06/30/567190630.db2.gz PYVLRSNIZCBPOF-UHFFFAOYSA-N 0 0 278.352 3.526 50 5 CHBARN Cc1cccc([N+](=O)[O-])c1-c1c(C)cccc1[N+](=O)[O-] ZINC000004300893 567193255 /nfs/dbraw/zinc/19/32/55/567193255.db2.gz UFWJYJCNLOWJCO-UHFFFAOYSA-N 0 0 272.260 3.787 50 5 CHBARN O=[N+]([O-])c1ccc2nc(Cc3ccc(Cl)cc3)oc2c1 ZINC000042890204 567205268 /nfs/dbraw/zinc/20/52/68/567205268.db2.gz ZKHPEMANFCGCCD-UHFFFAOYSA-N 0 0 288.690 3.980 50 5 CHBARN O=[N+]([O-])/C=C/c1cccc(OCc2ccccc2)c1 ZINC000001668103 567840837 /nfs/dbraw/zinc/84/08/37/567840837.db2.gz XFBMDILDMJAPDU-MDZDMXLPSA-N 0 0 255.273 3.513 50 5 CHBARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000004558918 567870027 /nfs/dbraw/zinc/87/00/27/567870027.db2.gz PMTPQTPINWFQCM-UHFFFAOYSA-N 0 0 287.275 3.863 50 5 CHBARN CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004598980 567891725 /nfs/dbraw/zinc/89/17/25/567891725.db2.gz XIBGBAZJSRXDBR-UHFFFAOYSA-N 0 0 270.716 3.623 50 5 CHBARN Cc1cc2c(cc1C)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000000091731 567908678 /nfs/dbraw/zinc/90/86/78/567908678.db2.gz QAUKYGUCLDVAMS-AWEZNQCLSA-N 0 0 296.326 3.686 50 5 CHBARN Cc1cc2c(cc1C)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000000107521 567911254 /nfs/dbraw/zinc/91/12/54/567911254.db2.gz UZARBTZAPXMBJC-ZDUSSCGKSA-N 0 0 296.326 3.686 50 5 CHBARN Cc1cc(C)cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000129689 567923443 /nfs/dbraw/zinc/92/34/43/567923443.db2.gz ARNMXZQVTOMDGJ-VOTSOKGWSA-N 0 0 297.310 3.830 50 5 CHBARN CC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000000164859 567924185 /nfs/dbraw/zinc/92/41/85/567924185.db2.gz JGCWPFNPSPTELC-UHFFFAOYSA-N 0 0 273.313 3.949 50 5 CHBARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000171615 567924524 /nfs/dbraw/zinc/92/45/24/567924524.db2.gz CTLJQORROKNSCN-UWVGGRQHSA-N 0 0 296.754 3.651 50 5 CHBARN CC[C@@H]([C@@H](Nc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000000187276 567924561 /nfs/dbraw/zinc/92/45/61/567924561.db2.gz WRADNUIDLCNSHF-HOTGVXAUSA-N 0 0 270.332 3.895 50 5 CHBARN O=[N+]([O-])c1ccc(OCSc2ccccc2)cc1 ZINC000000197419 567924730 /nfs/dbraw/zinc/92/47/30/567924730.db2.gz COOGOARYIKHCBJ-UHFFFAOYSA-N 0 0 261.302 3.723 50 5 CHBARN CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000237203 567925438 /nfs/dbraw/zinc/92/54/38/567925438.db2.gz TWRCMGFYUXAHGS-VAWYXSNFSA-N 0 0 296.326 3.661 50 5 CHBARN CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000258643 567925741 /nfs/dbraw/zinc/92/57/41/567925741.db2.gz QNXAMGZEABUAPL-JTQLQIEISA-N 0 0 296.754 3.653 50 5 CHBARN CC(C)N(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000000271630 567926044 /nfs/dbraw/zinc/92/60/44/567926044.db2.gz IDOPNTICQLVTAS-UHFFFAOYSA-N 0 0 298.342 3.646 50 5 CHBARN O=C(Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000286702 567926128 /nfs/dbraw/zinc/92/61/28/567926128.db2.gz XBCZXHOQARAWTL-UHFFFAOYSA-N 0 0 291.694 3.892 50 5 CHBARN O=[N+]([O-])c1ccc(CNc2ccc(Cl)cc2)s1 ZINC000000280076 567926183 /nfs/dbraw/zinc/92/61/83/567926183.db2.gz GISUBDYIFAJEQD-UHFFFAOYSA-N 0 0 268.725 3.922 50 5 CHBARN CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(C)cc1 ZINC000000481362 567938352 /nfs/dbraw/zinc/93/83/52/567938352.db2.gz 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