smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000066264003 205365404 /nfs/dbraw/zinc/36/54/04/205365404.db2.gz SOALSOCFLGLPKW-DOPJRALCSA-N 0 0 371.345 2.389 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)nc1)C2 ZINC000066259373 205365947 /nfs/dbraw/zinc/36/59/47/205365947.db2.gz NCDHCNBNNRMMMC-ZDUSSCGKSA-N 0 0 371.328 2.365 1 5 FEBFRN COC[C@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689086 571720229 /nfs/dbraw/zinc/72/02/29/571720229.db2.gz YYTVGIBSAJVHGD-UZLBHIALSA-N 0 0 355.390 2.098 1 5 endogenous,in-man FEBFRN C/C=C1/C[N+]2([O-])CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@@H]42 ZINC000085835309 717137480 /nfs/dbraw/zinc/13/74/80/717137480.db2.gz QGFVIZRGBDUGNE-ZYLNNAHESA-N 0 0 354.450 2.335 1 5 FEBFRN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1CCCCCC1 ZINC000007062054 204288407 /nfs/dbraw/zinc/28/84/07/204288407.db2.gz SRDPWGBYHGANFZ-UHFFFAOYSA-N 0 0 359.382 2.420 3 5 FEBFRN C=CC1=CCc2ccccc2[C@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 ZINC000018167900 204662122 /nfs/dbraw/zinc/66/21/22/204662122.db2.gz LQJWLPILMCPRCM-INIZCTEOSA-N 0 0 359.378 2.438 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(F)cc3)n1)C2 ZINC000045245359 205119161 /nfs/dbraw/zinc/11/91/61/205119161.db2.gz XKQQHOPKMLPTJL-AWEZNQCLSA-N 0 0 359.317 2.094 1 5 FEBFRN Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000049088961 205169544 /nfs/dbraw/zinc/16/95/44/205169544.db2.gz LBQMXFYWBZXWKM-UHFFFAOYSA-N 0 0 357.355 2.078 1 5 FEBFRN C/C=C1/C[N@@+]2(C)CC[C@@H]1[C@@](CO)(C(=O)[O-])c1[nH]c3ccccc3c1CC2 ZINC000473171736 717182769 /nfs/dbraw/zinc/18/27/69/717182769.db2.gz VLRURTRVDYSXIL-CTJGBWITSA-O 0 0 355.458 2.452 1 5 FEBFRN O=[N+]([O-])c1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000066077253 205363218 /nfs/dbraw/zinc/36/32/18/205363218.db2.gz KMSCAYSQHVWZLA-SECBINFHSA-N 0 0 357.120 2.196 1 5 FEBFRN COc1cc(O)c2c(c1)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000014714117 717110873 /nfs/dbraw/zinc/11/08/73/717110873.db2.gz VMVNSKSVCTXZOD-IJXZTRCJSA-N 0 0 357.362 2.385 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cncc(F)c3)cn1)C2 ZINC000066058837 205363309 /nfs/dbraw/zinc/36/33/09/205363309.db2.gz ZLSRAYIKNBMNLM-HNNXBMFYSA-N 0 0 371.328 2.365 1 5 FEBFRN CCOC(=O)CC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000095597194 205792895 /nfs/dbraw/zinc/79/28/95/205792895.db2.gz RAIDOZGVDQFJQP-NSHDSACASA-N 0 0 356.400 2.467 1 5 FEBFRN O=C1C[C@@H]2OCC=C3C[N+]4([O-])CC[C@@]56c7ccccc7N1[C@H]5[C@@H]2[C@@H]3C[C@H]64 ZINC000070454552 291054402 /nfs/dbraw/zinc/05/44/02/291054402.db2.gz ADTDBAKUQAKBGZ-NTWMIIMGSA-N 0 0 350.418 2.105 1 5 biogenic,in-vitro FEBFRN COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@H](O)C(C)(C)O2 ZINC000040867163 208272597 /nfs/dbraw/zinc/27/25/97/208272597.db2.gz HPSMPQLXGNXKOB-IBGZPJMESA-N 0 0 353.374 2.415 1 5 FEBFRN O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000066252833 208696133 /nfs/dbraw/zinc/69/61/33/208696133.db2.gz UOEBVGPUTWXKDH-IGNZVWTISA-N 0 0 371.345 2.389 1 5 FEBFRN CNC(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 ZINC000095584167 209082300 /nfs/dbraw/zinc/08/23/00/209082300.db2.gz UXZZYCXKWFYWMW-UHFFFAOYSA-N 0 0 358.401 2.437 1 5 FEBFRN Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1C[C@H](C)O ZINC000035075788 208119579 /nfs/dbraw/zinc/11/95/79/208119579.db2.gz WEAOWCGKICGCCK-VIFPVBQESA-N 0 0 373.818 2.108 1 5 FEBFRN Cc1nc(C)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1C ZINC000042888737 208297265 /nfs/dbraw/zinc/29/72/65/208297265.db2.gz LOVCMHGAXNVELN-UHFFFAOYSA-N 0 0 369.425 2.268 1 5 FEBFRN COC[C@@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689084 571720242 /nfs/dbraw/zinc/72/02/42/571720242.db2.gz YYTVGIBSAJVHGD-OXQOHEQNSA-N 0 0 355.390 2.098 1 5 endogenous,in-man FEBFRN COc1cc(OC[C@H](O)COC(C)=O)cc2c1c(=O)c1ccccc1n2C ZINC000045299195 208329365 /nfs/dbraw/zinc/32/93/65/208329365.db2.gz BYIPOLARCDPCOI-CYBMUJFWSA-N 0 0 371.389 2.003 1 5 FEBFRN O=C(NN1C(=O)CCS[C@@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000084631959 208959308 /nfs/dbraw/zinc/95/93/08/208959308.db2.gz YLNHKGIMRJLYGQ-MRXNPFEDSA-N 0 0 358.379 2.299 1 5 FEBFRN COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000169723795 717157032 /nfs/dbraw/zinc/15/70/32/717157032.db2.gz DEJVHOBZCXTFLG-XGWJBJCRSA-N 0 0 354.406 2.125 1 5 FEBFRN C[C@@]12COC(=O)N1C(=O)N(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2=O ZINC000040577174 208256183 /nfs/dbraw/zinc/25/61/83/208256183.db2.gz ZKDOBLOIJSTNBP-LBPRGKRZSA-N 0 0 359.216 2.291 1 5 FEBFRN O=C1CC=C2[C@@H]3N1c1ccccc1[C@@]31CC[N@+]3([O-])C/C(=C/CO)[C@@H]2C[C@@H]13 ZINC000584879802 717184968 /nfs/dbraw/zinc/18/49/68/717184968.db2.gz JSOOHERMGHRAQI-QWMXTLRCSA-N 0 0 350.418 2.009 1 5 in-vitro FEBFRN COc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000027990797 207945465 /nfs/dbraw/zinc/94/54/65/207945465.db2.gz USHDVMMVLFKCNE-UHFFFAOYSA-N 0 0 369.351 2.388 1 5 FEBFRN O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(CC2CCCCC2)c1=O ZINC000013759226 581101806 /nfs/dbraw/zinc/10/18/06/581101806.db2.gz QZDHGWXNSCMSGA-UHFFFAOYSA-N 0 0 369.381 2.364 1 5 FEBFRN O=C1COCCN1c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cc1 ZINC000095558257 132215262 /nfs/dbraw/zinc/21/52/62/132215262.db2.gz IDGWOWROCIIXQH-OAHLLOKOSA-N 0 0 357.322 2.417 1 5 FEBFRN C[C@@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040950547 136120689 /nfs/dbraw/zinc/12/06/89/136120689.db2.gz FFLIJKBMHPEWFR-SECBINFHSA-N 0 0 365.342 2.270 1 5 FEBFRN COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000169723796 717157318 /nfs/dbraw/zinc/15/73/18/717157318.db2.gz DEJVHOBZCXTFLG-LHSYQHKTSA-N 0 0 354.406 2.125 1 5 FEBFRN O=C1CC=C2[C@@H]3N1c1ccccc1[C@@]31CC[N@@+]3([O-])C/C(=C/CO)[C@@H]2C[C@@H]13 ZINC000255221723 717170964 /nfs/dbraw/zinc/17/09/64/717170964.db2.gz JSOOHERMGHRAQI-ATWSPDMNSA-N 0 0 350.418 2.009 1 5 in-vitro FEBFRN Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc([N+](=O)[O-])cc1 ZINC000045290867 208329071 /nfs/dbraw/zinc/32/90/71/208329071.db2.gz IETILKBQLFYITP-CQSZACIVSA-N 0 0 368.353 2.279 1 5 FEBFRN CN1C(=O)[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccccc21 ZINC000013587917 132868927 /nfs/dbraw/zinc/86/89/27/132868927.db2.gz MUEAMCRYLFHEKE-AWEZNQCLSA-N 0 0 364.361 2.394 1 5 FEBFRN COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N+](C)([O-])CC2 ZINC000015219610 717111354 /nfs/dbraw/zinc/11/13/54/717111354.db2.gz GIGLNPLPIFRSFH-PDYHCXRVSA-N 0 0 371.389 2.115 1 5 FEBFRN Cn1c(=O)nc2n(-c3ccc(Cl)cc3F)c3ccccc3nc-2c1=O ZINC000029481634 211513201 /nfs/dbraw/zinc/51/32/01/211513201.db2.gz DLGLHLARPMVMPO-UHFFFAOYSA-N 0 0 356.744 2.377 1 5 FEBFRN O=C1CC[C@H]2[C@H]3N1c1ccccc1[C@]31CC[N+]3([O-])C/C(=C/CO)[C@@H]2C[C@@H]13 ZINC000059587520 291054387 /nfs/dbraw/zinc/05/43/87/291054387.db2.gz IKFPXBJQXNPNPL-LMGNTZCFSA-N 0 0 352.434 2.089 1 5 biogenic,in-vitro FEBFRN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000013153712 211025984 /nfs/dbraw/zinc/02/59/84/211025984.db2.gz YLWSYUIFDBSVLQ-NUMJRFHMSA-N 0 0 356.334 2.222 1 5 FEBFRN O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])o2)S3)o1 ZINC000072178182 221449434 /nfs/dbraw/zinc/44/94/34/221449434.db2.gz HWWFQQWKJBDMBD-SNVBAGLBSA-N 0 0 350.272 2.296 1 5 FEBFRN CC[N+](C)(C)C1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1 ZINC000027417863 717114532 /nfs/dbraw/zinc/11/45/32/717114532.db2.gz FYRQFVZBGZHFDR-UHFFFAOYSA-O 0 0 374.436 2.459 1 5 FEBFRN COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2C[N@+](C)([O-])CC[C@@H]21 ZINC000299806956 717180204 /nfs/dbraw/zinc/18/02/04/717180204.db2.gz NHKZFALDMLZGHK-XUEUYAKLSA-N 0 0 356.422 2.500 1 5 FEBFRN Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000004845777 539393983 /nfs/dbraw/zinc/39/39/83/539393983.db2.gz JJDXFQYTEGVSCN-LZDSYCOUSA-N 0 0 371.393 2.263 1 5 FEBFRN COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@@H]1OC[C@@](C)(O)[C@@H]1O2 ZINC000014682350 211098227 /nfs/dbraw/zinc/09/82/27/211098227.db2.gz ZDHCSGNLOGAREA-IPMKNSEASA-N 0 0 356.330 2.244 1 5 FEBFRN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000013153746 211025971 /nfs/dbraw/zinc/02/59/71/211025971.db2.gz TWNYYNOOHDOFDF-DGESLXCPSA-N 0 0 368.345 2.078 1 5 FEBFRN COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCC[N+]4([O-])CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000096086400 717140747 /nfs/dbraw/zinc/14/07/47/717140747.db2.gz NBMMUYZDDIKEKL-VWJNOCJASA-N 0 0 363.410 2.324 1 5 FEBFRN COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 ZINC000254010392 717169586 /nfs/dbraw/zinc/16/95/86/717169586.db2.gz DHECBQUIZKPOOU-WXSGLUEVSA-N 0 0 354.406 2.103 1 5 FEBFRN O=c1nc(N2CCOCC2)sc2c1cc(C(F)(F)F)cc2[N+](=O)[O-] ZINC000096910803 132226262 /nfs/dbraw/zinc/22/62/62/132226262.db2.gz OUKNSMGESGMZDW-UHFFFAOYSA-N 0 0 361.301 2.420 1 5 FEBFRN O=C1CC=C2[C@@H]3N1c1ccccc1[C@@]31CC[N+]3([O-])C/C(=C/CO)[C@@H]2C[C@@H]13 ZINC000014681392 717110656 /nfs/dbraw/zinc/11/06/56/717110656.db2.gz JSOOHERMGHRAQI-WMJCWLERSA-N 0 0 350.418 2.009 1 5 FEBFRN CC(C)NC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2c(N)scc21 ZINC000096929715 222142574 /nfs/dbraw/zinc/14/25/74/222142574.db2.gz QZUNDKXETOITGV-UHFFFAOYSA-N 0 0 373.394 2.076 1 5 FEBFRN C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N=C3[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000033830931 717122189 /nfs/dbraw/zinc/12/21/89/717122189.db2.gz HRARARDBRKOTJJ-OBKPBRGMSA-N 0 0 368.433 2.229 1 5 FEBFRN O=C1CC=C2[C@@H]3N1c1ccccc1[C@@]31CC[N+]3([O-])C/C(=C\CO)[C@@H]2C[C@@H]13 ZINC000095912493 291054393 /nfs/dbraw/zinc/05/43/93/291054393.db2.gz JSOOHERMGHRAQI-YSZNPQODSA-N 0 0 350.418 2.009 1 5 biogenic,in-vitro FEBFRN O=c1[nH]ccc2nc(NC[C@@H]3CCS(=O)(=O)C3)c3ccc(F)cc3c21 ZINC000064549779 212038477 /nfs/dbraw/zinc/03/84/77/212038477.db2.gz YJQUADKQWWERLA-JTQLQIEISA-N 0 0 361.398 2.062 1 5 FEBFRN CNC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC000001894340 210372554 /nfs/dbraw/zinc/37/25/54/210372554.db2.gz IVVVNPXXLPLCJM-ZHACJKMWSA-N 0 0 362.363 2.061 1 5 FEBFRN O=C(n1nnc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000095577279 132215584 /nfs/dbraw/zinc/21/55/84/132215584.db2.gz YDWZVXIZDHXYDW-UHFFFAOYSA-N 0 0 352.354 2.130 1 5 FEBFRN COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)CN1C(=O)C(=O)c2ccccc21 ZINC000096930097 222142276 /nfs/dbraw/zinc/14/22/76/222142276.db2.gz SKQHQRVVACYUIZ-JLHYYAGUSA-N 0 0 366.329 2.381 1 5 FEBFRN CC(C)[C@@H](CO)NC(=O)COc1ccc2c(c1)oc1ccccc1c2=O ZINC000103228904 222326031 /nfs/dbraw/zinc/32/60/31/222326031.db2.gz YHRAHQZZVPYXMS-MRXNPFEDSA-N 0 0 355.390 2.458 1 5 FEBFRN CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@H](C)O ZINC000027194476 211459797 /nfs/dbraw/zinc/45/97/97/211459797.db2.gz HJFBVCZUTHYPEP-VHSXEESVSA-N 0 0 355.395 2.492 1 5 FEBFRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000013153747 211026069 /nfs/dbraw/zinc/02/60/69/211026069.db2.gz TWNYYNOOHDOFDF-FOHUKVNHSA-N 0 0 368.345 2.078 1 5 FEBFRN COc1ccc(-n2nnnc2OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331786 222562979 /nfs/dbraw/zinc/56/29/79/222562979.db2.gz RZIZGRPHUSZSML-UHFFFAOYSA-N 0 0 372.297 2.066 1 5 FEBFRN O=C1NC(=NCc2ccccc2)NC1=Cc1c[nH]c2ncc([N+](=O)[O-])cc12 ZINC000040974478 220926314 /nfs/dbraw/zinc/92/63/14/220926314.db2.gz BOQKOBIFVPPFPW-UUASQNMZSA-N 0 0 362.349 2.088 1 5 FEBFRN O=C1C[C@H]2OCC=C3C[N+]4([O-])CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@@H]64 ZINC000070455615 291054929 /nfs/dbraw/zinc/05/49/29/291054929.db2.gz ADTDBAKUQAKBGZ-GFPDPAGDSA-N 0 0 350.418 2.105 1 5 biogenic,in-vitro FEBFRN Nc1ccc2c3c1cccc3C(=O)N(CCCn1ccnc1[N+](=O)[O-])C2=O ZINC000026382130 220510689 /nfs/dbraw/zinc/51/06/89/220510689.db2.gz AVAZVVFIIDGHNA-UHFFFAOYSA-N 0 0 365.349 2.213 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000045254942 220967290 /nfs/dbraw/zinc/96/72/90/220967290.db2.gz IYLFMGITRHGWIH-AWEZNQCLSA-N 0 0 359.317 2.094 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(F)cc3)cn1)C2 ZINC000066259149 221243998 /nfs/dbraw/zinc/24/39/98/221243998.db2.gz NXHSCCWRPSBYAB-AWEZNQCLSA-N 0 0 371.328 2.365 1 5 FEBFRN O=C1COCCN1c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cc1 ZINC000095558256 132215347 /nfs/dbraw/zinc/21/53/47/132215347.db2.gz IDGWOWROCIIXQH-HNNXBMFYSA-N 0 0 357.322 2.417 1 5 FEBFRN O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000066252834 221242436 /nfs/dbraw/zinc/24/24/36/221242436.db2.gz UOEBVGPUTWXKDH-UYHISHBKSA-N 0 0 371.345 2.389 1 5 FEBFRN COC(=O)[C@@H]1C[C@]23C=CC[N+]4([O-])C[C@H]([C@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]34 ZINC000238733623 717162294 /nfs/dbraw/zinc/16/22/94/717162294.db2.gz CEJQKJBSKCWBSS-YXWPRPJZSA-N 0 0 352.434 2.430 1 5 FEBFRN CC(C)CN(CC(C)C)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000058592353 221121944 /nfs/dbraw/zinc/12/19/44/221121944.db2.gz XUINYTUWSNQCGF-UHFFFAOYSA-N 0 0 374.419 2.269 1 5 FEBFRN CCOc1ccc([C@H]2OC(Cn3c(C)ncc3[N+](=O)[O-])=NN2C(C)=O)cc1 ZINC000096929456 222142317 /nfs/dbraw/zinc/14/23/17/222142317.db2.gz CWHICBRZORJFCP-QGZVFWFLSA-N 0 0 373.369 2.389 1 5 FEBFRN C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N=C3[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000033830930 291045567 /nfs/dbraw/zinc/04/55/67/291045567.db2.gz HRARARDBRKOTJJ-CEOWECDHSA-N 0 0 368.433 2.229 1 5 biogenic,in-vitro FEBFRN COc1c(OC)c2oc(=O)c3cc4c(c5oc(=O)c(c1OC)c2c35)OCO4 ZINC000001608084 560182931 /nfs/dbraw/zinc/18/29/31/560182931.db2.gz QQLURXJDJDJYQV-UHFFFAOYSA-N 0 0 372.285 2.245 1 5 biogenic,in-vitro FEBFRN C/C=C1/C[N+]2([O-])CC[C@@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@@H]1C[C@H]42 ZINC000015217163 717111398 /nfs/dbraw/zinc/11/13/98/717111398.db2.gz IARXKEXPNHDQQC-LHUMJQBBSA-N 0 0 354.406 2.036 1 5 FEBFRN CNC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)C1 ZINC000000836447 219328681 /nfs/dbraw/zinc/32/86/81/219328681.db2.gz SKKRMJJARVELPV-HNNXBMFYSA-N 0 0 360.366 2.218 1 5 FEBFRN COc1c(O)c2c(=O)c3cc([N+](=O)[O-])ccc3n(C)c2c(OC)c1OC ZINC000026646883 220519083 /nfs/dbraw/zinc/51/90/83/220519083.db2.gz AYESHHFLDYCLEQ-UHFFFAOYSA-N 0 0 360.322 2.331 1 5 FEBFRN O=C(NN1C(=O)CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000084631967 221724984 /nfs/dbraw/zinc/72/49/84/221724984.db2.gz HXIDYKBVCYFFPG-INIZCTEOSA-N 0 0 358.379 2.299 1 5 FEBFRN COC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc([N+](=O)[O-])cc12 ZINC000096273893 222108273 /nfs/dbraw/zinc/10/82/73/222108273.db2.gz WRXTUSOEGJSYMN-UHFFFAOYSA-N 0 0 355.306 2.428 1 5 FEBFRN COc1c(O)cc2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2c1O ZINC000095486211 291050826 /nfs/dbraw/zinc/05/08/26/291050826.db2.gz XAEGXBVPBCQGJB-UHFFFAOYSA-N 0 0 364.306 2.097 1 5 biogenic,in-vitro FEBFRN Nc1ccc(S(=O)(=O)n2ccc3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000028530919 204884085 /nfs/dbraw/zinc/88/40/85/204884085.db2.gz NMGNRDGVTLTPFO-UHFFFAOYSA-N 0 0 362.323 2.277 1 5 in-vivo FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)nn1)C2 ZINC000066251922 205365909 /nfs/dbraw/zinc/36/59/09/205365909.db2.gz XWJPUQRDEDCKQQ-AWEZNQCLSA-N 0 0 371.328 2.365 1 5 FEBFRN O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(C2CCCCC2)c1=O ZINC000013759225 581101729 /nfs/dbraw/zinc/10/17/29/581101729.db2.gz CTSBLEQRCSMECP-UHFFFAOYSA-N 0 0 355.354 2.289 1 5 FEBFRN O=C1CCCCN1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(CF)(CF)[C@H]1O ZINC000026724589 204854428 /nfs/dbraw/zinc/85/44/28/204854428.db2.gz XNZZEGPVJKLTLT-CABCVRRESA-N 0 0 356.325 2.080 1 5 FEBFRN CC(=O)N[C@@H]1c2cc(Br)c([N+](=O)[O-])cc2OC(C)(C)[C@H]1O ZINC000026636912 204853661 /nfs/dbraw/zinc/85/36/61/204853661.db2.gz GQDWEFMJZSLHJP-NEPJUHHUSA-N 0 0 359.176 2.066 1 5 FEBFRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2c(N)scc21 ZINC000040828903 205082285 /nfs/dbraw/zinc/08/22/85/205082285.db2.gz HZPQPESULOVLEW-UHFFFAOYSA-N 0 0 360.351 2.114 1 5 FEBFRN Cc1cc2cc3cc(C)c(NC(=O)C[C@@H]([NH3+])C(=O)[O-])cc3nc2cc1N ZINC000040565519 205072026 /nfs/dbraw/zinc/07/20/26/205072026.db2.gz WQGLVWXODSOCHK-CQSZACIVSA-N 0 0 352.394 2.328 1 5 FEBFRN COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@@H](O)C(C)(C)O2 ZINC000040867161 205082632 /nfs/dbraw/zinc/08/26/32/205082632.db2.gz HPSMPQLXGNXKOB-LJQANCHMSA-N 0 0 353.374 2.415 1 5 FEBFRN Nc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cn1 ZINC000066251788 205366160 /nfs/dbraw/zinc/36/61/60/205366160.db2.gz OEYDRULCQMMHFL-HNNXBMFYSA-N 0 0 367.365 2.413 1 5 FEBFRN O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])o2)S3)o1 ZINC000072178181 205502338 /nfs/dbraw/zinc/50/23/38/205502338.db2.gz HWWFQQWKJBDMBD-JTQLQIEISA-N 0 0 350.272 2.296 1 5 FEBFRN CC(=O)N1CCc2[nH]c(/C=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2C1 ZINC000096272953 205870174 /nfs/dbraw/zinc/87/01/74/205870174.db2.gz FWXNEFMIRVAQLN-CHHVJCJISA-N 0 0 352.350 2.320 1 5 FEBFRN CN1C(=O)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccccc21 ZINC000013587918 132868989 /nfs/dbraw/zinc/86/89/89/132868989.db2.gz MUEAMCRYLFHEKE-CQSZACIVSA-N 0 0 364.361 2.394 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(F)n3)cn1)C2 ZINC000066259509 205365551 /nfs/dbraw/zinc/36/55/51/205365551.db2.gz VEQXFAPDNGSBOS-ZDUSSCGKSA-N 0 0 371.328 2.365 1 5 FEBFRN COC[C@@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689080 571720233 /nfs/dbraw/zinc/72/02/33/571720233.db2.gz YYTVGIBSAJVHGD-OXJNMPFZSA-N 0 0 355.390 2.098 1 5 endogenous,in-man FEBFRN C[C@]12COC(=O)N1C(=O)N(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2=O ZINC000040577176 205073117 /nfs/dbraw/zinc/07/31/17/205073117.db2.gz ZKDOBLOIJSTNBP-GFCCVEGCSA-N 0 0 359.216 2.291 1 5 FEBFRN COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 ZINC000066112298 205364371 /nfs/dbraw/zinc/36/43/71/205364371.db2.gz DHECBQUIZKPOOU-SRQGGJSVSA-N 0 0 354.406 2.103 1 5 FEBFRN COC[C@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689082 571720165 /nfs/dbraw/zinc/72/01/65/571720165.db2.gz YYTVGIBSAJVHGD-JXFKEZNVSA-N 0 0 355.390 2.098 1 5 endogenous,in-man FEBFRN COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@@+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000253995387 717169588 /nfs/dbraw/zinc/16/95/88/717169588.db2.gz NBMMUYZDDIKEKL-GSXWRYNMSA-N 0 0 363.410 2.324 1 5 FEBFRN COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2C[N+](C)([O-])CC[C@@H]21 ZINC000040393941 205068277 /nfs/dbraw/zinc/06/82/77/205068277.db2.gz NHKZFALDMLZGHK-MZRGNRRKSA-N 0 0 356.422 2.500 1 5 FEBFRN COc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C[C@@H](C(C)(C)O)O2 ZINC000066077451 205362269 /nfs/dbraw/zinc/36/22/69/205362269.db2.gz QHLDPWBFSQRVLN-LBPRGKRZSA-N 0 0 371.389 2.186 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3F)cn1)C2 ZINC000066251056 205363842 /nfs/dbraw/zinc/36/38/42/205363842.db2.gz WKGTYCNINCFLPW-ZDUSSCGKSA-N 0 0 371.328 2.365 1 5 FEBFRN COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000049803182 221028132 /nfs/dbraw/zinc/02/81/32/221028132.db2.gz DHECBQUIZKPOOU-GEALIGENSA-N 0 0 354.406 2.103 1 5 FEBFRN CSc1ccc(-n2c3ccccc3nc3c(=O)n(C)c(=O)nc2-3)cc1 ZINC000029488767 207992667 /nfs/dbraw/zinc/99/26/67/207992667.db2.gz XQSUGAYVABYGPS-UHFFFAOYSA-N 0 0 350.403 2.306 1 5 FEBFRN Cc1cc2cc3cc(C)c(NC(=O)C[C@H]([NH3+])C(=O)[O-])cc3nc2cc1N ZINC000040565517 208257051 /nfs/dbraw/zinc/25/70/51/208257051.db2.gz WQGLVWXODSOCHK-AWEZNQCLSA-N 0 0 352.394 2.328 1 5 FEBFRN CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cnc([N+](=O)[O-])c3)[C@@H]2CC1 ZINC000096910784 209161613 /nfs/dbraw/zinc/16/16/13/209161613.db2.gz NVZQRTSHUVNHRU-GYNLQCIHSA-N 0 0 359.382 2.237 1 5 FEBFRN Cn1cnc(CS(=O)(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000035075789 208119093 /nfs/dbraw/zinc/11/90/93/208119093.db2.gz NAVDCANYRMNYTG-UHFFFAOYSA-N 0 0 360.189 2.065 1 5 FEBFRN C=C/C1=C\Cc2ccccc2[C@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 ZINC000036384609 208159925 /nfs/dbraw/zinc/15/99/25/208159925.db2.gz LQJWLPILMCPRCM-WQMJKPAKSA-N 0 0 359.378 2.438 1 5 FEBFRN COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1CC[C@H](O)C(C)(C)O ZINC000095913889 291051341 /nfs/dbraw/zinc/05/13/41/291051341.db2.gz XETIWBSPMJOXJJ-HNNXBMFYSA-N 0 0 374.389 2.430 1 5 biogenic,in-vitro FEBFRN C[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040950549 136120729 /nfs/dbraw/zinc/12/07/29/136120729.db2.gz FFLIJKBMHPEWFR-VIFPVBQESA-N 0 0 365.342 2.270 1 5 FEBFRN C/C=C1/C[N+]2([O-])CC[C@@H]1[C@](CO)(C(=O)OC)c1[nH]c3ccccc3c1CC2 ZINC000238780919 717163775 /nfs/dbraw/zinc/16/37/75/717163775.db2.gz WXWXJDLCIXJYLO-BPCPDPOFSA-N 0 0 370.449 2.408 1 5 FEBFRN CN1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)C(=O)C1 ZINC000095558707 209080856 /nfs/dbraw/zinc/08/08/56/209080856.db2.gz YQLLONIEIFEJGE-MRXNPFEDSA-N 0 0 370.365 2.332 1 5 FEBFRN O=[N+]([O-])c1nc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000040892095 208273973 /nfs/dbraw/zinc/27/39/73/208273973.db2.gz GYJUMJNTXHCSKW-SNVBAGLBSA-N 0 0 360.248 2.063 1 5 FEBFRN COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 ZINC000254010378 717169530 /nfs/dbraw/zinc/16/95/30/717169530.db2.gz DHECBQUIZKPOOU-FXSJQETJSA-N 0 0 354.406 2.103 1 5 FEBFRN CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@]12OC(=O)c1ccccc12 ZINC000034867558 208113292 /nfs/dbraw/zinc/11/32/92/208113292.db2.gz FIYGHYXPEOQWJG-GOSISDBHSA-N 0 0 367.317 2.407 1 5 FEBFRN COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-] ZINC000043063772 208300524 /nfs/dbraw/zinc/30/05/24/208300524.db2.gz IJFHXPZGVLQVJF-UHFFFAOYSA-N 0 0 369.337 2.417 1 5 FEBFRN COC(=O)c1ccc(C)c2oc3c(C)c(=O)c(N)c(C(=O)OC)c-3nc12 ZINC000095585494 209081823 /nfs/dbraw/zinc/08/18/23/209081823.db2.gz GQIPYCKXCGZSCD-UHFFFAOYSA-N 0 0 356.334 2.065 1 5 FEBFRN Cn1c2ccccc2c2c1cc(C[NH2+]C(CO)(CO)CO)c1ccccc21 ZINC000045227065 208326698 /nfs/dbraw/zinc/32/66/98/208326698.db2.gz PVWVPBWNMSXKNT-UHFFFAOYSA-N 0 0 364.445 2.290 1 5 FEBFRN COc1c(O)c2c(=O)c3ccc([N+](=O)[O-])cc3n(C)c2c(OC)c1OC ZINC000026649806 220518463 /nfs/dbraw/zinc/51/84/63/220518463.db2.gz AVMCPUMGUMPDSZ-UHFFFAOYSA-N 0 0 360.322 2.331 1 5 FEBFRN O=[N+]([O-])c1ccc(CCN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000026728919 136153305 /nfs/dbraw/zinc/15/33/05/136153305.db2.gz FRGZJNWWOANSTI-UHFFFAOYSA-N 0 0 357.370 2.263 1 5 FEBFRN O=C(n1nnc2ccccc21)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000095578400 209082631 /nfs/dbraw/zinc/08/26/31/209082631.db2.gz KVPRSLKRVLHJKI-UHFFFAOYSA-N 0 0 366.381 2.125 1 5 FEBFRN COC(=O)[C@@H]1C[C@]23C=CC[N+]4([O-])C[C@H]([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]34 ZINC000238765748 717163099 /nfs/dbraw/zinc/16/30/99/717163099.db2.gz CEJQKJBSKCWBSS-JFUXWPQESA-N 0 0 352.434 2.430 1 5 FEBFRN C/C=C1\C[N+]2([O-])CC[C@]34C(=O)c5ccccc5N3[C@@H](C(=O)OC)[C@@H]1C[C@H]42 ZINC000085506206 291046108 /nfs/dbraw/zinc/04/61/08/291046108.db2.gz IARXKEXPNHDQQC-QIOJTCAHSA-N 0 0 354.406 2.036 1 5 biogenic,in-vitro FEBFRN O=C1CC[C@@H]2[C@@H]3N1c1ccccc1[C@@]31CC[N+]3([O-])C/C(=C\CO)[C@@H]2C[C@@H]13 ZINC000085510056 291054407 /nfs/dbraw/zinc/05/44/07/291054407.db2.gz IKFPXBJQXNPNPL-AODGAYCGSA-N 0 0 352.434 2.089 1 5 biogenic,in-vitro FEBFRN COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000254101050 717169928 /nfs/dbraw/zinc/16/99/28/717169928.db2.gz DHECBQUIZKPOOU-IFLILDFKSA-N 0 0 354.406 2.103 1 5 FEBFRN O=c1[nH]ccc2nc(NC[C@H]3CCS(=O)(=O)C3)c3ccc(F)cc3c21 ZINC000064549780 212039073 /nfs/dbraw/zinc/03/90/73/212039073.db2.gz YJQUADKQWWERLA-SNVBAGLBSA-N 0 0 361.398 2.062 1 5 FEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccnc(F)c3)cn1)C2 ZINC000066251274 221242890 /nfs/dbraw/zinc/24/28/90/221242890.db2.gz UQECJRUDQFNKPH-AWEZNQCLSA-N 0 0 371.328 2.365 1 5 FEBFRN CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc(O)c2)CC1 ZINC000095590772 132216065 /nfs/dbraw/zinc/21/60/65/132216065.db2.gz YJZGLINFUJXTHC-UHFFFAOYSA-N 0 0 356.382 2.305 1 5 FEBFRN COc1ccc2c(c1)c(=O)c1c3c(ccc1NCC[N+](C)(C)[O-])ncn32 ZINC000101446242 222275559 /nfs/dbraw/zinc/27/55/59/222275559.db2.gz HCOFDHMYUHQATQ-UHFFFAOYSA-N 0 0 352.394 2.433 1 5 FEBFRN C/C=C1/C[N@@+]2(C)CC[C@@H]1[C@](CO)(C(=O)[O-])c1[nH]c3ccccc3c1CC2 ZINC000473171746 717182652 /nfs/dbraw/zinc/18/26/52/717182652.db2.gz VLRURTRVDYSXIL-QLWZMDSTSA-O 0 0 355.458 2.452 1 5 FEBFRN COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000102778336 717145843 /nfs/dbraw/zinc/14/58/43/717145843.db2.gz NBMMUYZDDIKEKL-KMUTXKEPSA-N 0 0 363.410 2.324 1 5 FEBFRN O=C1NC(=NCc2ccccc2)NC1=Cc1c[nH]c2ncc([N+](=O)[O-])cc12 ZINC000040973000 211765938 /nfs/dbraw/zinc/76/59/38/211765938.db2.gz BOQKOBIFVPPFPW-GIDUJCDVSA-N 0 0 362.349 2.088 1 5 FEBFRN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CN[C@H](CF)C3)cc1 ZINC000013581961 211040863 /nfs/dbraw/zinc/04/08/63/211040863.db2.gz FWEQVNUHWLTAQJ-AWEZNQCLSA-N 0 0 365.386 2.379 1 5 FEBFRN O=c1[nH]c2cc(Br)c(Br)c([N+](=O)[O-])c2[nH]c1=O ZINC000001484689 219409648 /nfs/dbraw/zinc/40/96/48/219409648.db2.gz HPDZNXVZXICVSF-UHFFFAOYSA-N 0 0 364.937 2.062 1 5 investigational FEBFRN CCOC(=O)c1cnc2n(nc3c(Cl)nc4ccc(C)cc4n32)c1=O ZINC000103205765 222325431 /nfs/dbraw/zinc/32/54/31/222325431.db2.gz MLESMHKUWUXVDA-UHFFFAOYSA-N 0 0 357.757 2.029 1 5 FEBFRN COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000254101053 717169899 /nfs/dbraw/zinc/16/98/99/717169899.db2.gz DHECBQUIZKPOOU-MDIKWQLESA-N 0 0 354.406 2.103 1 5 FEBFRN COc1c(O)c2c(=O)c3ccc(N(C)C)cc3n(C)c2c(OC)c1OC ZINC000096900947 222136092 /nfs/dbraw/zinc/13/60/92/222136092.db2.gz FVMGIPCNOOWGTF-UHFFFAOYSA-N 0 0 358.394 2.489 1 5 FEBFRN COC(=O)[C@H]1C[C@]23C=CC(=O)[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 ZINC000238753259 717162535 /nfs/dbraw/zinc/16/25/35/717162535.db2.gz VTAIVRQLMMPUKI-DQVQKLERSA-N 0 0 366.417 2.245 1 5 FEBFRN COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000253995385 717169341 /nfs/dbraw/zinc/16/93/41/717169341.db2.gz NBMMUYZDDIKEKL-BNBVYZKYSA-N 0 0 363.410 2.324 1 5 FEBFRN CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@]14c1ccccc1N=C4[C@@H]1C[C@H]2[C@@H](CO)[C@H](C)[N+]31[O-] ZINC000238789765 717163483 /nfs/dbraw/zinc/16/34/83/717163483.db2.gz IZUNKTAHEFNYCJ-QIJASBNMSA-N 0 0 368.433 2.058 1 5 FEBFRN CCOC(=O)CSc1ccc([N+](=O)[O-])c(SCC(=O)OCC)n1 ZINC000084154598 291049478 /nfs/dbraw/zinc/04/94/78/291049478.db2.gz CVAODWHEHGHIIT-UHFFFAOYSA-N 0 0 360.413 2.300 1 5 biogenic,in-vitro FEBFRN CC(C)[C@H](CO)NC(=O)COc1ccc2c(c1)oc1ccccc1c2=O ZINC000103228902 222326326 /nfs/dbraw/zinc/32/63/26/222326326.db2.gz YHRAHQZZVPYXMS-INIZCTEOSA-N 0 0 355.390 2.458 1 5 FEBFRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)CN[C@H](CF)C3)c1 ZINC000013581972 220075961 /nfs/dbraw/zinc/07/59/61/220075961.db2.gz YVBDFPWDLYAGPR-AWEZNQCLSA-N 0 0 365.386 2.379 1 5 FEBFRN COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-] ZINC000043012750 220943220 /nfs/dbraw/zinc/94/32/20/220943220.db2.gz WJAZVKMCXZWOKB-UHFFFAOYSA-N 0 0 355.310 2.488 1 5 FEBFRN COc1c(O)c2c(c3c(=O)c4cccc(O)c4n(C)c13)OC(C)(C)[C@@H](O)C2 ZINC000066077456 221240211 /nfs/dbraw/zinc/24/02/11/221240211.db2.gz QAUFACGSJSABOB-LBPRGKRZSA-N 0 0 371.389 2.186 1 5 FEBFRN O=C(n1nnc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000095579032 132215699 /nfs/dbraw/zinc/21/56/99/132215699.db2.gz SFFFBDHJCGMVAS-UHFFFAOYSA-N 0 0 352.354 2.130 1 5 FEBFRN CC1(C)OC(C)(C)c2c1nnc(-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[n+]2[O-] ZINC000027555478 517515793 /nfs/dbraw/zinc/51/57/93/517515793.db2.gz UDUSRRIYNONUKR-UHFFFAOYSA-N 0 0 361.314 2.094 1 5 FEBFRN COc1cc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc(OC)c1OC ZINC000071334509 221343458 /nfs/dbraw/zinc/34/34/58/221343458.db2.gz FCQFHRMDZZRIPV-UHFFFAOYSA-N 0 0 358.306 2.421 1 5 FEBFRN Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000004845776 539394137 /nfs/dbraw/zinc/39/41/37/539394137.db2.gz JJDXFQYTEGVSCN-OGRXGRENSA-N 0 0 371.393 2.263 1 5 FEBFRN Cc1onc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1[N+](=O)[O-] ZINC000004937470 219626369 /nfs/dbraw/zinc/62/63/69/219626369.db2.gz KWSMRTMQIZTIHV-UHFFFAOYSA-N 0 0 350.356 2.183 3 5 FEBFRN