smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CCO)NC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000096008700 185064096 /nfs/dbraw/zinc/06/40/96/185064096.db2.gz MBPCQYSWDOJRBE-SSDOTTSWSA-N 0 0 287.703 2.141 50 5 CEBARN COc1ccc(NC(=O)c2ccoc2)cc1[N+](=O)[O-] ZINC000096007745 185064314 /nfs/dbraw/zinc/06/43/14/185064314.db2.gz XMWFGWYPIXDVRU-UHFFFAOYSA-N 0 0 262.221 2.449 50 5 CEBARN O=[N+]([O-])c1cccnc1NCc1ccnc(-n2cccn2)c1 ZINC000032825017 361758357 /nfs/dbraw/zinc/75/83/57/361758357.db2.gz FVIRPEOKXZQEOW-UHFFFAOYSA-N 0 0 296.290 2.183 50 5 CEBARN O=[N+]([O-])c1cc(Br)cnc1N1CCCC1 ZINC000038536971 361986988 /nfs/dbraw/zinc/98/69/88/361986988.db2.gz YGKJRFMYKUCINF-UHFFFAOYSA-N 0 0 272.102 2.353 50 5 CEBARN CC(=O)c1cnccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000350761330 219057714 /nfs/dbraw/zinc/05/77/14/219057714.db2.gz DQOJAYFGKLJZRC-UHFFFAOYSA-N 0 0 299.286 2.175 50 5 CEBARN CCc1c(Cl)nc2c([N+](=O)[O-])ccc(C)n2c1=O ZINC000725245542 539191682 /nfs/dbraw/zinc/19/16/82/539191682.db2.gz VKUADNJWYAMIIP-UHFFFAOYSA-N 0 0 267.672 2.127 50 5 CEBARN O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000048235283 362250973 /nfs/dbraw/zinc/25/09/73/362250973.db2.gz CEIOSISNKCFRSI-UHFFFAOYSA-N 0 0 299.246 2.225 50 5 CEBARN Cc1n[nH]cc1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000049469789 362365673 /nfs/dbraw/zinc/36/56/73/362365673.db2.gz PSHZCDCYRODOEQ-UHFFFAOYSA-N 0 0 264.270 2.079 50 5 CEBARN COC(=O)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000145773717 344409665 /nfs/dbraw/zinc/40/96/65/344409665.db2.gz VKVXKLRSPIVATP-UHFFFAOYSA-N 0 0 250.254 2.346 50 5 CEBARN CC(=O)c1c(C)cc(C)c(Cn2cnc([N+](=O)[O-])n2)c1C ZINC000053835239 362499256 /nfs/dbraw/zinc/49/92/56/362499256.db2.gz AEPKQGXVNOYAFM-UHFFFAOYSA-N 0 0 288.307 2.362 50 5 CEBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CCC1 ZINC000058418943 362628340 /nfs/dbraw/zinc/62/83/40/362628340.db2.gz VPSMRPNQIXMOHM-UHFFFAOYSA-N 0 0 287.319 2.466 50 5 CEBARN CC(C)N1C[C@@H](Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000060378038 362660371 /nfs/dbraw/zinc/66/03/71/362660371.db2.gz URUMIXDZFUPHIB-JTQLQIEISA-N 0 0 263.297 2.016 50 5 CEBARN Cc1cccc(OCCOC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000089688889 179846835 /nfs/dbraw/zinc/84/68/35/179846835.db2.gz PMBAVVMJSBZXFE-GFCCVEGCSA-N 0 0 281.308 2.478 50 5 CEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1C ZINC000068846232 362948761 /nfs/dbraw/zinc/94/87/61/362948761.db2.gz ZCCLYZQUZHXRDV-APPZFPTMSA-N 0 0 250.254 2.198 50 5 CEBARN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000113699773 186590759 /nfs/dbraw/zinc/59/07/59/186590759.db2.gz RAAAWSPZIMCBBB-UHFFFAOYSA-N 0 0 252.245 2.360 50 5 CEBARN O=[N+]([O-])c1ccc2c(cnn2Cc2nc(C3CC3)no2)c1 ZINC000072302058 363128030 /nfs/dbraw/zinc/12/80/30/363128030.db2.gz GCJVVBXOOXFKPT-UHFFFAOYSA-N 0 0 285.263 2.253 50 5 CEBARN Nc1cccc([C@@H](C[N+](=O)[O-])O[C@@H]2CCCCO2)c1 ZINC000072446984 363135991 /nfs/dbraw/zinc/13/59/91/363135991.db2.gz YYTFIBZARMMTFA-CHWSQXEVSA-N 0 0 266.297 2.130 50 5 CEBARN COC(C)(C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000072500150 363140813 /nfs/dbraw/zinc/14/08/13/363140813.db2.gz QHQVZAKRXWNHCC-UHFFFAOYSA-N 0 0 286.715 2.403 50 5 CEBARN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000155727975 188224495 /nfs/dbraw/zinc/22/44/95/188224495.db2.gz ZKTHFXFTMDTZRU-NWDGAFQWSA-N 0 0 292.335 2.279 50 5 CEBARN COC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000073835497 363255957 /nfs/dbraw/zinc/25/59/57/363255957.db2.gz LVJSHMALYQYRQY-SECBINFHSA-N 0 0 253.254 2.095 50 5 CEBARN CN(C[C@@H]1CCOC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000075094708 363440030 /nfs/dbraw/zinc/44/00/30/363440030.db2.gz LEIGAIYWMLUAMZ-VIFPVBQESA-N 0 0 254.261 2.207 50 5 CEBARN Cc1cnc(NC[C@@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000076064897 363515427 /nfs/dbraw/zinc/51/54/27/363515427.db2.gz ATVMLMFLXCDULW-LLVKDONJSA-N 0 0 275.312 2.243 50 5 CEBARN C[C@@](CO)(Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000079111687 363580554 /nfs/dbraw/zinc/58/05/54/363580554.db2.gz WKEPSDGJONFQDX-LBPRGKRZSA-N 0 0 254.261 2.307 50 5 CEBARN CCOC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 ZINC000000205477 361145313 /nfs/dbraw/zinc/14/53/13/361145313.db2.gz IEOGPWHCLFLAGG-BQYQJAHWSA-N 0 0 274.276 2.452 50 5 CEBARN Cc1cc(Nc2cc([N+](=O)[O-])ccc2C)n2ncnc2n1 ZINC000000083754 361125018 /nfs/dbraw/zinc/12/50/18/361125018.db2.gz VHVSUUPWHABWPC-UHFFFAOYSA-N 0 0 284.279 2.393 50 5 CEBARN Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1 ZINC000000373207 361167011 /nfs/dbraw/zinc/16/70/11/361167011.db2.gz BUPGJWMGPAHCGC-UHFFFAOYSA-N 0 0 268.166 2.456 50 5 CEBARN C[C@H]1CN(C(=S)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000000616362 361189472 /nfs/dbraw/zinc/18/94/72/361189472.db2.gz JGODMJVGEVEKRU-UWVGGRQHSA-N 0 0 280.349 2.380 50 5 CEBARN CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000001679101 361216148 /nfs/dbraw/zinc/21/61/48/361216148.db2.gz ADUOLQRHFZGDPM-UHFFFAOYSA-N 0 0 293.275 2.104 50 5 CEBARN O=C(c1ccccc1)c1ccc(-n2cnnc2)c([N+](=O)[O-])c1 ZINC000003399069 361279047 /nfs/dbraw/zinc/27/90/47/361279047.db2.gz PSGRGLZTAXLTFR-UHFFFAOYSA-N 0 0 294.270 2.407 50 5 CEBARN Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000003894941 361293515 /nfs/dbraw/zinc/29/35/15/361293515.db2.gz SBBHFMMCKYYUJL-UHFFFAOYSA-N 0 0 257.249 2.429 50 5 CEBARN C[C@@H](Nc1ncnc(N)c1[N+](=O)[O-])c1ccccc1 ZINC000003912530 361294354 /nfs/dbraw/zinc/29/43/54/361294354.db2.gz CDGZNSBLGPGMDZ-MRVPVSSYSA-N 0 0 259.269 2.140 50 5 CEBARN Nc1ncnc(NCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000003912518 361294709 /nfs/dbraw/zinc/29/47/09/361294709.db2.gz JJBUEELFUAXPPA-UHFFFAOYSA-N 0 0 279.687 2.233 50 5 CEBARN O=C(Nc1ccncc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000004421274 361315953 /nfs/dbraw/zinc/31/59/53/361315953.db2.gz ZUYOYUFELXFPKH-UHFFFAOYSA-N 0 0 288.219 2.150 50 5 CEBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1C ZINC000004548877 361320604 /nfs/dbraw/zinc/32/06/04/361320604.db2.gz ZYUDUARZOOKNHU-UHFFFAOYSA-N 0 0 290.323 2.246 50 5 CEBARN O=C(NCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000012523665 361388246 /nfs/dbraw/zinc/38/82/46/361388246.db2.gz HMZXSRSCXSDLOG-UHFFFAOYSA-N 0 0 296.286 2.173 50 5 CEBARN Cn1ccnc1Sc1nc2ccccn2c1[N+](=O)[O-] ZINC000012627802 361393035 /nfs/dbraw/zinc/39/30/35/361393035.db2.gz UQILJUHPKWLGDX-UHFFFAOYSA-N 0 0 275.293 2.127 50 5 CEBARN O=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000012767440 361398615 /nfs/dbraw/zinc/39/86/15/361398615.db2.gz ADHZDZJZCBVZLU-UHFFFAOYSA-N 0 0 264.212 2.257 50 5 CEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N=c1[nH]c2ccccc2[nH]1 ZINC000013161804 361420954 /nfs/dbraw/zinc/42/09/54/361420954.db2.gz GBSOZZSBCKOVJY-UHFFFAOYSA-N 0 0 296.286 2.074 50 5 CEBARN COC(=O)c1cc(Br)cc([N+](=O)[O-])c1C ZINC000014909845 361461042 /nfs/dbraw/zinc/46/10/42/361461042.db2.gz UPBDNPCJIJAMPI-UHFFFAOYSA-N 0 0 274.070 2.452 50 5 CEBARN Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC000017173784 361504701 /nfs/dbraw/zinc/50/47/01/361504701.db2.gz BRHQRTARBDMZRP-UHFFFAOYSA-N 0 0 268.323 2.321 50 5 CEBARN CCOC(=O)c1ccoc1COc1cccnc1[N+](=O)[O-] ZINC000018532629 361518659 /nfs/dbraw/zinc/51/86/59/361518659.db2.gz MJAZFVNILFYKKO-UHFFFAOYSA-N 0 0 292.247 2.339 50 5 CEBARN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000019607171 361545562 /nfs/dbraw/zinc/54/55/62/361545562.db2.gz PDCWUKWDEMRFTJ-QWRGUYRKSA-N 0 0 250.298 2.204 50 5 CEBARN CNc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000008181043 283690955 /nfs/dbraw/zinc/69/09/55/283690955.db2.gz MLCLKFCVPXDDOV-UHFFFAOYSA-N 0 0 263.297 2.263 50 5 CEBARN O=[N+]([O-])c1ccc(NCCc2nnc3ccccn32)cc1 ZINC000026760682 361644758 /nfs/dbraw/zinc/64/47/58/361644758.db2.gz CXEKRGQDHQCDHN-UHFFFAOYSA-N 0 0 283.291 2.292 50 5 CEBARN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000029152510 361682203 /nfs/dbraw/zinc/68/22/03/361682203.db2.gz DLDNIGJDCQOWIY-LBPRGKRZSA-N 0 0 278.308 2.154 50 5 CEBARN CC(C)(NC(=O)Cc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000089761854 363999675 /nfs/dbraw/zinc/99/96/75/363999675.db2.gz MSHNZADKVOZSHQ-UHFFFAOYSA-N 0 0 289.291 2.177 50 5 CEBARN CNc1ccc(Nc2ncc([N+](=O)[O-])cc2C)cn1 ZINC000092612339 364087852 /nfs/dbraw/zinc/08/78/52/364087852.db2.gz SZILFXMEEUNXOW-UHFFFAOYSA-N 0 0 259.269 2.479 50 5 CEBARN Cc1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1F ZINC000097048032 364434031 /nfs/dbraw/zinc/43/40/31/364434031.db2.gz MIPXIBQXDOAQDF-VIFPVBQESA-N 0 0 292.270 2.439 50 5 CEBARN CCCCCN1CC(=O)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000097235759 364483789 /nfs/dbraw/zinc/48/37/89/364483789.db2.gz KFNCUOXWHRXIIL-CQSZACIVSA-N 0 0 277.324 2.215 50 5 CEBARN O=[N+]([O-])c1ccc(F)cc1N(CCO)C1CCC1 ZINC000228507057 189793296 /nfs/dbraw/zinc/79/32/96/189793296.db2.gz ILAVUSZXUSOFQP-UHFFFAOYSA-N 0 0 254.261 2.085 50 5 CEBARN Cc1cccc(N2CC[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000252549735 371454325 /nfs/dbraw/zinc/45/43/25/371454325.db2.gz RUBRKDKRNZOTTM-JOYOIKCWSA-N 0 0 250.298 2.110 50 5 CEBARN O=[N+]([O-])c1cnc(Nc2cnn(C[C@@H]3CCCO3)c2)s1 ZINC000253425137 371521343 /nfs/dbraw/zinc/52/13/43/371521343.db2.gz AZWABRYXQFRIDA-VIFPVBQESA-N 0 0 295.324 2.170 50 5 CEBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCSc2ncccc21 ZINC000076040902 284670214 /nfs/dbraw/zinc/67/02/14/284670214.db2.gz AHNVITNPNRYDSV-UHFFFAOYSA-N 0 0 291.288 2.335 50 5 CEBARN CCCC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000334161116 380246928 /nfs/dbraw/zinc/24/69/28/380246928.db2.gz UCBRQIHRFFISQG-UHFFFAOYSA-N 0 0 293.323 2.170 50 5 CEBARN Cc1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1 ZINC000003879991 291991645 /nfs/dbraw/zinc/99/16/45/291991645.db2.gz VQGQQGHLIBHAHP-UHFFFAOYSA-N 0 0 251.242 2.412 50 5 CEBARN Cc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000004054653 394455536 /nfs/dbraw/zinc/45/55/36/394455536.db2.gz NNDMGZJKWCOVPF-UWVGGRQHSA-N 0 0 295.295 2.425 50 5 CEBARN CC(=O)N1c2ccc([N+](=O)[O-])cc2N(C(C)=O)[C@H](C)[C@H]1C ZINC000004769766 394456585 /nfs/dbraw/zinc/45/65/85/394456585.db2.gz PMTHDUKCVRFGKD-RKDXNWHRSA-N 0 0 291.307 2.091 50 5 CEBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CCCCN2C1=O ZINC000328595200 292293307 /nfs/dbraw/zinc/29/33/07/292293307.db2.gz NZNVIFVLUJHXNX-LLVKDONJSA-N 0 0 289.291 2.224 50 5 CEBARN C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013946851 299769890 /nfs/dbraw/zinc/76/98/90/299769890.db2.gz ATAWLQXLWFYXBE-JTQLQIEISA-N 0 0 284.337 2.158 50 5 CEBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000002846601 169837219 /nfs/dbraw/zinc/83/72/19/169837219.db2.gz VZLAOZFWLRTVNX-UHFFFAOYSA-N 0 0 258.233 2.347 50 5 CEBARN COc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000004131561 169936582 /nfs/dbraw/zinc/93/65/82/169936582.db2.gz FSTVICXWPLBUKF-UHFFFAOYSA-N 0 0 298.254 2.404 50 5 CEBARN CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000004854682 170031202 /nfs/dbraw/zinc/03/12/02/170031202.db2.gz ZUDCDAJKCMJVDN-UHFFFAOYSA-N 0 0 277.324 2.265 50 5 CEBARN CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000004949554 170044561 /nfs/dbraw/zinc/04/45/61/170044561.db2.gz VOYRQZQPJJBYLD-JTQLQIEISA-N 0 0 295.314 2.181 50 5 CEBARN NC(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 ZINC000005063495 170063137 /nfs/dbraw/zinc/06/31/37/170063137.db2.gz KHDPULIHDUWGNK-UHFFFAOYSA-N 0 0 285.303 2.348 50 5 CEBARN O=C(COc1ccccc1[N+](=O)[O-])NC1CCCC1 ZINC000005109431 170066869 /nfs/dbraw/zinc/06/68/69/170066869.db2.gz YTGXNQZKDNBRFP-UHFFFAOYSA-N 0 0 264.281 2.032 50 5 CEBARN Cc1nn([C@@H](C)C(=O)Nc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000006401162 170198343 /nfs/dbraw/zinc/19/83/43/170198343.db2.gz AADIEDNWICTSNC-JTQLQIEISA-N 0 0 289.295 2.003 50 5 CEBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nccs1 ZINC000007654916 170296083 /nfs/dbraw/zinc/29/60/83/170296083.db2.gz VGTJKDVKKVRIPG-UHFFFAOYSA-N 0 0 292.320 2.370 50 5 CEBARN Cc1nn(CC(=O)Nc2cccc(C)c2)c(C)c1[N+](=O)[O-] ZINC000008342939 170332008 /nfs/dbraw/zinc/33/20/08/170332008.db2.gz BUYJDFGYMVOEEW-UHFFFAOYSA-N 0 0 288.307 2.355 50 5 CEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)C)c1C ZINC000008775181 170355343 /nfs/dbraw/zinc/35/53/43/170355343.db2.gz VLGCYPFFJNFNEL-UHFFFAOYSA-N 0 0 286.353 2.288 50 5 CEBARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])no1 ZINC000009691850 170384483 /nfs/dbraw/zinc/38/44/83/170384483.db2.gz DBFGMATYFSGFTF-SECBINFHSA-N 0 0 291.263 2.297 50 5 CEBARN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000010132646 170398737 /nfs/dbraw/zinc/39/87/37/170398737.db2.gz SWPBFEBFWUUSHD-SECBINFHSA-N 0 0 286.291 2.063 50 5 CEBARN C[C@@H]1C[C@H](C)CN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000012848929 170513967 /nfs/dbraw/zinc/51/39/67/170513967.db2.gz PDLYBDWOPSVUCY-TXEJJXNPSA-N 0 0 292.335 2.478 50 5 CEBARN Cc1ccc(NC(=S)NC2CC2)c([N+](=O)[O-])c1 ZINC000013330398 170545328 /nfs/dbraw/zinc/54/53/28/170545328.db2.gz MGLWTIFNRGGDIS-UHFFFAOYSA-N 0 0 251.311 2.352 50 5 CEBARN CNc1ccc(C(=O)N[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000018207395 170747727 /nfs/dbraw/zinc/74/77/27/170747727.db2.gz YCYNPNMXSSKZEA-MRVPVSSYSA-N 0 0 263.297 2.165 50 5 CEBARN Cc1cc(OCCN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000020167850 171040811 /nfs/dbraw/zinc/04/08/11/171040811.db2.gz 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ZINC000078394035 177337230 /nfs/dbraw/zinc/33/72/30/177337230.db2.gz YPYKLDRSOIJVKE-UHFFFAOYSA-N 0 0 291.336 2.350 50 5 CEBARN CCC[C@@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000078994745 177413241 /nfs/dbraw/zinc/41/32/41/177413241.db2.gz GBOIWIAYJUZVHK-LBPRGKRZSA-N 0 0 294.351 2.432 50 5 CEBARN CCC[C@H]1[C@H](C)CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000095407839 278964795 /nfs/dbraw/zinc/96/47/95/278964795.db2.gz LDQSHOSHYNNGBJ-ZJUUUORDSA-N 0 0 279.344 2.372 50 5 CEBARN C[C@H]1CCCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005064096 290396467 /nfs/dbraw/zinc/39/64/67/290396467.db2.gz RZIWJUFTWNMJSQ-VIFPVBQESA-N 0 0 263.297 2.073 50 5 CEBARN CS[C@@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000225820887 533938684 /nfs/dbraw/zinc/93/86/84/533938684.db2.gz QFFRVWKNUFKYOR-SDBXPKJASA-N 0 0 298.364 2.322 50 5 CEBARN O=C1Nc2ccc([N+](=O)[O-])cc2NC(=O)[C@@H]2CC=CC[C@@H]12 ZINC000018272218 518202591 /nfs/dbraw/zinc/20/25/91/518202591.db2.gz DVFGAFBLOXNRDD-NXEZZACHSA-N 0 0 287.275 2.068 50 5 CEBARN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1ccnn1 ZINC000128059294 528211019 /nfs/dbraw/zinc/21/10/19/528211019.db2.gz DQPVQBBJHHPUKO-UHFFFAOYSA-N 0 0 262.269 2.022 50 5 CEBARN CCOc1cc(NC(=O)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000585124970 813689629 /nfs/dbraw/zinc/68/96/29/813689629.db2.gz BNMULKFPHKNVHY-LLVKDONJSA-N 0 0 280.280 2.111 50 5 CEBARN O=[N+]([O-])c1cccc([C@@H](O)Cn2cc(-n3cccc3)cn2)c1 ZINC000096484761 230381100 /nfs/dbraw/zinc/38/11/00/230381100.db2.gz SSOBGVODTGOQAK-HNNXBMFYSA-N 0 0 298.302 2.316 50 5 CEBARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000096500699 230384612 /nfs/dbraw/zinc/38/46/12/230384612.db2.gz IMSZVBSZIZYLAZ-AOOOYVTPSA-N 0 0 278.312 2.500 50 5 CEBARN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CO ZINC000095948537 185039300 /nfs/dbraw/zinc/03/93/00/185039300.db2.gz SGFYDOMKMLNREP-CQSZACIVSA-N 0 0 294.351 2.339 50 5 CEBARN CCO[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000019891242 343375119 /nfs/dbraw/zinc/37/51/19/343375119.db2.gz BKRUHSMQAOTDIY-LBPRGKRZSA-N 0 0 255.270 2.058 50 5 CEBARN CC[C@H]1COC(C)(C)CN1c1ncccc1[N+](=O)[O-] ZINC000585090356 539316935 /nfs/dbraw/zinc/31/69/35/539316935.db2.gz COLPCTRIMIKYBC-JTQLQIEISA-N 0 0 265.313 2.384 50 5 CEBARN CN(C)/C=C/c1c([N+](=O)[O-])c(C(C)(C)C)nn1C ZINC000075273527 343844369 /nfs/dbraw/zinc/84/43/69/343844369.db2.gz SXJBZGFBUCAQRP-BQYQJAHWSA-N 0 0 252.318 2.158 50 5 CEBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2)c1 ZINC000049045819 362326998 /nfs/dbraw/zinc/32/69/98/362326998.db2.gz NQOVMTZUUDYQED-UHFFFAOYSA-N 0 0 273.248 2.251 50 5 CEBARN Cc1cc([N+](=O)[O-])nn1C[C@H](O)c1ccc(F)cc1C ZINC000170078245 344484065 /nfs/dbraw/zinc/48/40/65/344484065.db2.gz RQYCYWIFZBWICJ-LBPRGKRZSA-N 0 0 279.271 2.281 50 5 CEBARN O=[N+]([O-])c1ccccc1/C=C/CN1CC(O)(C2CC2)C1 ZINC000170091576 344484768 /nfs/dbraw/zinc/48/47/68/344484768.db2.gz LXHFTLJHLCZGEP-HWKANZROSA-N 0 0 274.320 2.065 50 5 CEBARN CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000017790255 530007812 /nfs/dbraw/zinc/00/78/12/530007812.db2.gz FFXNLILOOHLACO-UHFFFAOYSA-N 0 0 260.249 2.460 50 5 CEBARN Cc1cc(N2Cc3cnn(C)c3C2)ccc1[N+](=O)[O-] ZINC000585132589 345005801 /nfs/dbraw/zinc/00/58/01/345005801.db2.gz BJIDRCKCOROEMV-UHFFFAOYSA-N 0 0 258.281 2.157 50 5 CEBARN CCCCN(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080905 185523546 /nfs/dbraw/zinc/52/35/46/185523546.db2.gz HLVZJPZJJADALZ-UHFFFAOYSA-N 0 0 252.274 2.254 50 5 CEBARN COC[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000058282894 362618949 /nfs/dbraw/zinc/61/89/49/362618949.db2.gz QSLRCJJAEPJENU-SECBINFHSA-N 0 0 267.285 2.060 50 5 CEBARN Nc1nc(N[C@@H]2C[C@@H]2c2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000084372328 539505524 /nfs/dbraw/zinc/50/55/24/539505524.db2.gz GJZHTROUKZDHDV-NXEZZACHSA-N 0 0 289.270 2.074 50 5 CEBARN COC(=O)c1cccc([N+](=O)[O-])c1CN1CCCCC1 ZINC000063111023 362750654 /nfs/dbraw/zinc/75/06/54/362750654.db2.gz GKTMBSKVBMSORC-UHFFFAOYSA-N 0 0 278.308 2.367 50 5 CEBARN O=c1ccn(C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000089821439 179871441 /nfs/dbraw/zinc/87/14/41/179871441.db2.gz YYYVXFMHUSGLTD-QPJJXVBHSA-N 0 0 256.261 2.470 50 5 CEBARN Cn1cnc([N+](=O)[O-])c1Sc1nnc(C(C)(C)C)o1 ZINC000069594520 362983045 /nfs/dbraw/zinc/98/30/45/362983045.db2.gz URVCXMAXEOQZQC-UHFFFAOYSA-N 0 0 283.313 2.160 50 5 CEBARN O=[N+]([O-])c1ccc(CSCc2nnnn2C2CC2)cc1 ZINC000069950807 363016307 /nfs/dbraw/zinc/01/63/07/363016307.db2.gz INMCWSWUISIRRY-UHFFFAOYSA-N 0 0 291.336 2.350 50 5 CEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccco1 ZINC000072304817 363128204 /nfs/dbraw/zinc/12/82/04/363128204.db2.gz UPJHTYGHUXDGCK-LLVKDONJSA-N 0 0 291.263 2.043 50 5 CEBARN Nc1cccc([C@H](C[N+](=O)[O-])O[C@H]2CCCCO2)c1 ZINC000072446987 363135444 /nfs/dbraw/zinc/13/54/44/363135444.db2.gz YYTFIBZARMMTFA-STQMWFEESA-N 0 0 266.297 2.130 50 5 CEBARN CC[C@@](C)(CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000075496601 363467007 /nfs/dbraw/zinc/46/70/07/363467007.db2.gz APCPPCQDVHGMJQ-NSHDSACASA-N 0 0 269.257 2.076 50 5 CEBARN Cc1c[nH]nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000134677418 366351212 /nfs/dbraw/zinc/35/12/12/366351212.db2.gz IQTBNNARHQRKKD-UHFFFAOYSA-N 0 0 260.253 2.187 50 5 CEBARN CC(C)(NC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000079630489 363619411 /nfs/dbraw/zinc/61/94/11/363619411.db2.gz UAULSXBGNYQEKM-LBPRGKRZSA-N 0 0 278.308 2.125 50 5 CEBARN O=C(NCCn1cccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000081785487 363741350 /nfs/dbraw/zinc/74/13/50/363741350.db2.gz UTMDXQYLBUVFKA-UHFFFAOYSA-N 0 0 293.710 2.480 50 5 CEBARN Cc1nn(C(C)(C)C)c(=O)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000180397088 189252954 /nfs/dbraw/zinc/25/29/54/189252954.db2.gz GSCYXQYULUNKRT-UHFFFAOYSA-N 0 0 290.323 2.065 50 5 CEBARN COC(=O)CCSc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000000127396 361132908 /nfs/dbraw/zinc/13/29/08/361132908.db2.gz XYRFGRPUSVXKBF-UHFFFAOYSA-N 0 0 299.304 2.037 50 5 CEBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)F ZINC000000326258 361161715 /nfs/dbraw/zinc/16/17/15/361161715.db2.gz UAULYPAKHJLUAD-UHFFFAOYSA-N 0 0 273.220 2.408 50 5 CEBARN CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000271957 361155416 /nfs/dbraw/zinc/15/54/16/361155416.db2.gz KMPYGZSGASXYPW-UHFFFAOYSA-N 0 0 284.337 2.015 50 5 CEBARN O=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000000055249 361122466 /nfs/dbraw/zinc/12/24/66/361122466.db2.gz VNKKYMYQWARECN-UHFFFAOYSA-N 0 0 263.297 2.019 50 5 CEBARN CCn1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000000372997 361167239 /nfs/dbraw/zinc/16/72/39/361167239.db2.gz QQYLNDYGEFTTSJ-UHFFFAOYSA-N 0 0 288.307 2.050 50 5 CEBARN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000000442314 361174991 /nfs/dbraw/zinc/17/49/91/361174991.db2.gz XZOVRIZSTJBNMT-UHFFFAOYSA-N 0 0 261.237 2.452 50 5 CEBARN CCC[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000442358 361175191 /nfs/dbraw/zinc/17/51/91/361175191.db2.gz FVZKLIUUZLZZFN-SECBINFHSA-N 0 0 272.326 2.062 50 5 CEBARN O=[N+]([O-])Cc1nnc(C(F)(F)F)n1-c1ccc(F)cc1 ZINC000001384652 361201762 /nfs/dbraw/zinc/20/17/62/361201762.db2.gz KNZAQANHBCOWCN-UHFFFAOYSA-N 0 0 290.176 2.202 50 5 CEBARN CC[C@@](O)(C[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C ZINC000003089756 361263771 /nfs/dbraw/zinc/26/37/71/361263771.db2.gz FCKAEIUGJLQNKC-JTQLQIEISA-N 0 0 283.261 2.405 50 5 CEBARN CCOC(=O)CCCNc1cccc([N+](=O)[O-])c1 ZINC000003165947 361265746 /nfs/dbraw/zinc/26/57/46/361265746.db2.gz YMTFMJVAJXKVPE-UHFFFAOYSA-N 0 0 252.270 2.350 50 5 CEBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1 ZINC000004217523 361305192 /nfs/dbraw/zinc/30/51/92/361305192.db2.gz ZLOXYEZYWCTXHU-UHFFFAOYSA-N 0 0 255.280 2.365 50 5 in-man CEBARN Cc1nn(CC(=O)Nc2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC000004548793 361320749 /nfs/dbraw/zinc/32/07/49/361320749.db2.gz HVVXIARHQSLRFS-UHFFFAOYSA-N 0 0 292.270 2.186 50 5 CEBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000004931588 361329140 /nfs/dbraw/zinc/32/91/40/361329140.db2.gz VZPQIICQNRTBPR-UHFFFAOYSA-N 0 0 267.241 2.443 50 5 CEBARN O=[N+]([O-])c1cccnc1NCc1ccc(-n2ccnc2)nc1 ZINC000012629522 361394032 /nfs/dbraw/zinc/39/40/32/361394032.db2.gz WJAWAQMYXLVUTN-UHFFFAOYSA-N 0 0 296.290 2.183 50 5 CEBARN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)C1=O ZINC000013863068 361444131 /nfs/dbraw/zinc/44/41/31/361444131.db2.gz KRWGZAGTABTYNO-UHFFFAOYSA-N 0 0 282.255 2.324 50 5 CEBARN O=[N+]([O-])c1ccc(O)c(NCn2nnc3ccccc32)c1 ZINC000019201909 361521212 /nfs/dbraw/zinc/52/12/12/361521212.db2.gz WSHIYGKRSZUBFT-UHFFFAOYSA-N 0 0 285.263 2.115 50 5 CEBARN COc1cc(N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000029753779 361690325 /nfs/dbraw/zinc/69/03/25/361690325.db2.gz UTCCRWZNURPJQZ-NXEZZACHSA-N 0 0 266.297 2.217 50 5 CEBARN Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000031543130 361713504 /nfs/dbraw/zinc/71/35/04/361713504.db2.gz URIQCCQNUHRNMS-SECBINFHSA-N 0 0 288.307 2.128 50 5 CEBARN O=[N+]([O-])c1ccc(-n2ccnc2)cc1OC(F)F ZINC000092583350 364083973 /nfs/dbraw/zinc/08/39/73/364083973.db2.gz RMPYNNNTWIQCSX-UHFFFAOYSA-N 0 0 255.180 2.382 50 5 CEBARN CO[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000240871408 370779950 /nfs/dbraw/zinc/77/99/50/370779950.db2.gz IKIRNKKANCUICK-YUMQZZPRSA-N 0 0 257.315 2.421 50 5 CEBARN CS[C@@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000239653800 370777157 /nfs/dbraw/zinc/77/71/57/370777157.db2.gz BLKDTGSSUPXNDP-SDBXPKJASA-N 0 0 298.364 2.322 50 5 CEBARN Cc1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000097081203 364440719 /nfs/dbraw/zinc/44/07/19/364440719.db2.gz GHQUQMFUPPRGPD-LLVKDONJSA-N 0 0 274.236 2.152 50 5 CEBARN COC(=O)c1ccc(Cl)c(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000097080594 364440722 /nfs/dbraw/zinc/44/07/22/364440722.db2.gz NXCBOGOOOPNXIY-UHFFFAOYSA-N 0 0 295.682 2.280 50 5 CEBARN O=[N+]([O-])c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000097378002 364496374 /nfs/dbraw/zinc/49/63/74/364496374.db2.gz SAZGVNIXRKQUMO-MRVPVSSYSA-N 0 0 269.150 2.036 50 5 CEBARN Cc1cnc(OCOC(=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000170591384 367383058 /nfs/dbraw/zinc/38/30/58/367383058.db2.gz QGBBLVNYYFGSOY-UHFFFAOYSA-N 0 0 268.269 2.224 50 5 CEBARN CSC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000225820832 370321225 /nfs/dbraw/zinc/32/12/25/370321225.db2.gz FYHNXSSBDADVIM-CYBMUJFWSA-N 0 0 298.364 2.323 50 5 CEBARN O=C([O-])CCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000225574734 370305492 /nfs/dbraw/zinc/30/54/92/370305492.db2.gz FHOMSTVMBBLLNR-UHFFFAOYSA-N 0 0 278.308 2.208 50 5 CEBARN Cc1cc(N[C@H](CCC(C)(C)C)C(N)=O)ncc1[N+](=O)[O-] ZINC000225605059 370308709 /nfs/dbraw/zinc/30/87/09/370308709.db2.gz NTNDTLRYLQWNEZ-SNVBAGLBSA-N 0 0 294.355 2.390 50 5 CEBARN Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000005933354 295355378 /nfs/dbraw/zinc/35/53/78/295355378.db2.gz RAYDBWYVPFHUMR-UHFFFAOYSA-N 0 0 284.318 2.071 50 5 CEBARN O=C1CCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000095944573 296321129 /nfs/dbraw/zinc/32/11/29/296321129.db2.gz AXEZVDYQQOXIJF-UHFFFAOYSA-N 0 0 285.097 2.484 50 5 CEBARN Cn1ncc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1=O ZINC000000346181 169612818 /nfs/dbraw/zinc/61/28/18/169612818.db2.gz XYKHHCYGPWCUAL-UHFFFAOYSA-N 0 0 281.655 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O=C(c1ccccc1)[C@@H]1N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035074957 171965396 /nfs/dbraw/zinc/96/53/96/171965396.db2.gz OGVMTASAPBQYIC-ZIAGYGMSSA-N 0 0 268.272 2.491 50 5 CEBARN COc1ccc(C(=O)[C@H]2N[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000035191425 172044538 /nfs/dbraw/zinc/04/45/38/172044538.db2.gz GGOZKGMQAZNMEL-CABCVRRESA-N 0 0 298.298 2.499 50 5 CEBARN COc1ncccc1CNc1ncccc1[N+](=O)[O-] ZINC000037396859 173176905 /nfs/dbraw/zinc/17/69/05/173176905.db2.gz MSUBACSSSZXFRN-UHFFFAOYSA-N 0 0 260.253 2.006 50 5 CEBARN Cn1cc(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1 ZINC000044979519 175283064 /nfs/dbraw/zinc/28/30/64/175283064.db2.gz WJTLRAMGTGTSMA-UHFFFAOYSA-N 0 0 292.270 2.039 50 5 CEBARN O=[N+]([O-])c1ccc(CSC(=S)N2CCOCC2)cc1 ZINC000071196117 176076363 /nfs/dbraw/zinc/07/63/63/176076363.db2.gz ZGEUXOYPPBYZSB-UHFFFAOYSA-N 0 0 298.389 2.445 50 5 CEBARN C[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)c2ccnn21 ZINC000071884187 176289019 /nfs/dbraw/zinc/28/90/19/176289019.db2.gz 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C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)c2ccnn21 ZINC000071884186 288660587 /nfs/dbraw/zinc/66/05/87/288660587.db2.gz JTWAJWXNDIFPOW-DTWKUNHWSA-N 0 0 290.279 2.384 50 5 CEBARN Nc1nc(Cl)nc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000005093101 295367524 /nfs/dbraw/zinc/36/75/24/295367524.db2.gz VEZHJIVAHRDWKG-UHFFFAOYSA-N 0 0 271.708 2.001 50 5 CEBARN Nc1ncnc(NC2C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000170621890 295374712 /nfs/dbraw/zinc/37/47/12/295374712.db2.gz HQVXUOSIZZTRPV-UHFFFAOYSA-N 0 0 289.339 2.204 50 5 CEBARN CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089791166 327173391 /nfs/dbraw/zinc/17/33/91/327173391.db2.gz YMKJRIHJSKPRBQ-CYBMUJFWSA-N 0 0 294.351 2.368 50 5 CEBARN O=c1c2cccc([N+](=O)[O-])c2ccn1Cc1ccccn1 ZINC000095921789 185031424 /nfs/dbraw/zinc/03/14/24/185031424.db2.gz PGZIGEKJGOZFBY-UHFFFAOYSA-N 0 0 281.271 2.353 50 5 CEBARN O=c1c([N+](=O)[O-])cccn1Cc1cc(-c2ccccc2)on1 ZINC000095958205 185043354 /nfs/dbraw/zinc/04/33/54/185043354.db2.gz BXLKMPHKDVQMQY-UHFFFAOYSA-N 0 0 297.270 2.460 50 5 CEBARN CCCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032765434 361754029 /nfs/dbraw/zinc/75/40/29/361754029.db2.gz BYXYCGCXHPKDKJ-UHFFFAOYSA-N 0 0 276.296 2.391 50 5 CEBARN CCO[C@@H]1CCCN(c2nc(OC)ccc2[N+](=O)[O-])C1 ZINC000080226585 344003481 /nfs/dbraw/zinc/00/34/81/344003481.db2.gz DITHZBDQOURRMK-SNVBAGLBSA-N 0 0 281.312 2.004 50 5 CEBARN Cc1nc([N+](=O)[O-])c(SCCO)n1Cc1ccccc1 ZINC000004354466 343353169 /nfs/dbraw/zinc/35/31/69/343353169.db2.gz BZPGDAOPODFVKB-UHFFFAOYSA-N 0 0 293.348 2.232 50 5 CEBARN Cc1nc(COc2ccc([N+](=O)[O-])cc2F)no1 ZINC000047355004 362205759 /nfs/dbraw/zinc/20/57/59/362205759.db2.gz BEUQGGCLDAADID-UHFFFAOYSA-N 0 0 253.189 2.004 50 5 CEBARN CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000585090433 539317095 /nfs/dbraw/zinc/31/70/95/539317095.db2.gz MVDDTETXMGOLIJ-WDEREUQCSA-N 0 0 265.313 2.384 50 5 CEBARN Cc1cc([N+](=O)[O-])nn1C[C@H](O)c1ccccc1C ZINC000170078239 344484081 /nfs/dbraw/zinc/48/40/81/344484081.db2.gz WKOHGVDQNKYAAF-LBPRGKRZSA-N 0 0 261.281 2.142 50 5 CEBARN CCc1cnc(CNc2nc(C)ccc2[N+](=O)[O-])o1 ZINC000170601911 188674989 /nfs/dbraw/zinc/67/49/89/188674989.db2.gz QQWOFIRZUDMMMZ-UHFFFAOYSA-N 0 0 262.269 2.461 50 5 CEBARN CCc1ccc(OCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC000075139573 363443097 /nfs/dbraw/zinc/44/30/97/363443097.db2.gz OIYMBTHTBYJRIP-UHFFFAOYSA-N 0 0 278.308 2.158 50 5 CEBARN COc1ccc2n[n+]([O-])c3ccc(OC)cc3c2c1 ZINC000004656122 538758130 /nfs/dbraw/zinc/75/81/30/538758130.db2.gz YPPMNAFHXDVKKF-UHFFFAOYSA-N 0 0 256.261 2.039 50 5 CEBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Cl)cc1 ZINC000000205423 361145344 /nfs/dbraw/zinc/14/53/44/361145344.db2.gz IHOXFLRXNXSCPG-UHFFFAOYSA-N 0 0 294.698 2.392 50 5 CEBARN Cn1nc(Sc2nc3ccccc3o2)nc1[N+](=O)[O-] ZINC000001427915 361204953 /nfs/dbraw/zinc/20/49/53/361204953.db2.gz XLLHQJPLBOTMTM-UHFFFAOYSA-N 0 0 277.265 2.016 50 5 CEBARN Cn1nc([N+](=O)[O-])nc1Oc1ccc(Br)cc1 ZINC000000528377 361184504 /nfs/dbraw/zinc/18/45/04/361184504.db2.gz WJVNMMOTPZPDTL-UHFFFAOYSA-N 0 0 299.084 2.278 50 5 CEBARN O=C(Nc1nccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001604730 361210957 /nfs/dbraw/zinc/21/09/57/361210957.db2.gz SSQNQMUKZASQJA-UHFFFAOYSA-N 0 0 294.248 2.212 50 5 CEBARN CCCOc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1 ZINC000002479082 361235650 /nfs/dbraw/zinc/23/56/50/361235650.db2.gz KVLKACSEXGPRLX-OCCSQVGLSA-N 0 0 278.308 2.072 50 5 CEBARN Cc1ccc(OCc2ccc(C(N)=O)o2)c([N+](=O)[O-])c1 ZINC000002785339 361251887 /nfs/dbraw/zinc/25/18/87/361251887.db2.gz UINJUSVKGWHJSP-UHFFFAOYSA-N 0 0 276.248 2.174 50 5 CEBARN Cc1ccc(C(=O)NCCCOC(C)C)cc1[N+](=O)[O-] ZINC000002851056 361255329 /nfs/dbraw/zinc/25/53/29/361255329.db2.gz RQSSYELDOYKQAI-UHFFFAOYSA-N 0 0 280.324 2.448 50 5 CEBARN CS(=O)(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000002996505 361260277 /nfs/dbraw/zinc/26/02/77/361260277.db2.gz QDPLDLVNDNLCPL-UHFFFAOYSA-N 0 0 290.296 2.285 50 5 CEBARN Nc1cc(Cl)c(I)cc1[N+](=O)[O-] ZINC000085221118 283657427 /nfs/dbraw/zinc/65/74/27/283657427.db2.gz KWHURWOGZQWLTK-UHFFFAOYSA-N 0 0 298.467 2.435 50 5 CEBARN Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000012512361 361387064 /nfs/dbraw/zinc/38/70/64/361387064.db2.gz UJCXEWYNJHOPQD-UHFFFAOYSA-N 0 0 287.275 2.316 50 5 CEBARN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013153568 361421201 /nfs/dbraw/zinc/42/12/01/361421201.db2.gz FCYJLRKXYVYLEN-TXEJJXNPSA-N 0 0 280.324 2.083 50 5 CEBARN COC(=O)c1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000019849004 361563161 /nfs/dbraw/zinc/56/31/61/361563161.db2.gz JQQJJBZBGDLXKW-UHFFFAOYSA-N 0 0 287.275 2.389 50 5 CEBARN Cc1ccc(NC(=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000024635217 361611374 /nfs/dbraw/zinc/61/13/74/361611374.db2.gz YEHYRXGHXLSIDC-UHFFFAOYSA-N 0 0 264.281 2.268 50 5 CEBARN CCC(C)(C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000025066193 361620174 /nfs/dbraw/zinc/62/01/74/361620174.db2.gz PFBPGKHIVOVYID-UHFFFAOYSA-N 0 0 276.296 2.203 50 5 CEBARN O=C(COc1ccccc1[N+](=O)[O-])NC(C1CC1)C1CC1 ZINC000025155136 361621418 /nfs/dbraw/zinc/62/14/18/361621418.db2.gz SFVZWVYKOVNWAK-UHFFFAOYSA-N 0 0 290.319 2.278 50 5 CEBARN CCCCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000026938386 361647352 /nfs/dbraw/zinc/64/73/52/361647352.db2.gz ZSBGFLDXCKRULU-UHFFFAOYSA-N 0 0 251.286 2.166 50 5 CEBARN CN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027270703 361649748 /nfs/dbraw/zinc/64/97/48/361649748.db2.gz SKXURTXBSQOLTA-UHFFFAOYSA-N 0 0 299.330 2.326 50 5 CEBARN CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000029152519 361682487 /nfs/dbraw/zinc/68/24/87/361682487.db2.gz UMWXUXMQYQQPPI-GWJCSSMESA-N 0 0 290.319 2.245 50 5 CEBARN Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000089421248 363965216 /nfs/dbraw/zinc/96/52/16/363965216.db2.gz KMWISGDORGUQMN-UHFFFAOYSA-N 0 0 297.274 2.427 50 5 CEBARN Cc1nn(C)cc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000089544320 363977783 /nfs/dbraw/zinc/97/77/83/363977783.db2.gz CEDFWCXCMGTTFQ-UHFFFAOYSA-N 0 0 289.291 2.036 50 5 CEBARN Cc1cc([N+](=O)[O-])cnc1NCCn1cnnc1C(C)C ZINC000095429664 364374691 /nfs/dbraw/zinc/37/46/91/364374691.db2.gz MODLWJIUDZOEGM-UHFFFAOYSA-N 0 0 290.327 2.125 50 5 CEBARN Cc1cc([N+](=O)[O-])ccc1OCN1CCCCC1=O ZINC000097080634 364440924 /nfs/dbraw/zinc/44/09/24/364440924.db2.gz ZVSSVFCFCFRWKC-UHFFFAOYSA-N 0 0 264.281 2.252 50 5 CEBARN Cc1ccnc(N(C)Cc2ccns2)c1[N+](=O)[O-] ZINC000585092788 367177968 /nfs/dbraw/zinc/17/79/68/367177968.db2.gz NVWHQFGBTRDFAK-UHFFFAOYSA-N 0 0 264.310 2.391 50 5 CEBARN Nc1nc(N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000167782366 367343884 /nfs/dbraw/zinc/34/38/84/367343884.db2.gz RWQIILXDAGZWTR-UHFFFAOYSA-N 0 0 256.265 2.266 50 5 CEBARN Cc1cccc(N2CC[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000218873629 370213897 /nfs/dbraw/zinc/21/38/97/370213897.db2.gz RUBRKDKRNZOTTM-SKDRFNHKSA-N 0 0 250.298 2.110 50 5 CEBARN O=[N+]([O-])c1ccc(-c2nc(C[C@H]3CCCO3)no2)cc1 ZINC000225556897 370304038 /nfs/dbraw/zinc/30/40/38/370304038.db2.gz BDHPAPYENJZQNC-LLVKDONJSA-N 0 0 275.264 2.366 50 5 CEBARN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCOC1 ZINC000314002313 376762505 /nfs/dbraw/zinc/76/25/05/376762505.db2.gz JXWTYDIWMWWPKP-SNVBAGLBSA-N 0 0 296.298 2.199 50 5 CEBARN O=C(c1ccccc1[N+](=O)[O-])n1nnc2ccccc21 ZINC000000255427 296263249 /nfs/dbraw/zinc/26/32/49/296263249.db2.gz QPSDPYKDZGDKDS-UHFFFAOYSA-N 0 0 268.232 2.028 50 5 CEBARN Cc1cc(C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000000034204 169511115 /nfs/dbraw/zinc/51/11/15/169511115.db2.gz YVPBBDGTHJVCGY-UHFFFAOYSA-N 0 0 260.249 2.426 50 5 CEBARN COc1ccc(-c2csc(N)n2)cc1[N+](=O)[O-] ZINC000000173286 169563922 /nfs/dbraw/zinc/56/39/22/169563922.db2.gz NEWCDELJIAHCGN-UHFFFAOYSA-N 0 0 251.267 2.309 50 5 CEBARN Cc1c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000001054675 169688024 /nfs/dbraw/zinc/68/80/24/169688024.db2.gz KBPZYILEHNMDNN-SECBINFHSA-N 0 0 288.307 2.128 50 5 CEBARN CO[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000096442870 533329411 /nfs/dbraw/zinc/32/94/11/533329411.db2.gz VAYFGRDRYUWGTG-JTQLQIEISA-N 0 0 267.281 2.485 50 5 CEBARN COc1ccc(Oc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000000079552 394448109 /nfs/dbraw/zinc/44/81/09/394448109.db2.gz HCMXPKVVGLKXOA-UHFFFAOYSA-N 0 0 263.253 2.438 50 5 CEBARN CC(C)c1ccc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1 ZINC000000107304 394448110 /nfs/dbraw/zinc/44/81/10/394448110.db2.gz KAELMYGEWHEWBH-TZMCWYRMSA-N 0 0 262.309 2.406 50 5 CEBARN Cc1cccc(N2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000252572417 394572130 /nfs/dbraw/zinc/57/21/30/394572130.db2.gz ZGDHCZXRHALOOQ-ZYHUDNBSSA-N 0 0 250.298 2.110 50 5 CEBARN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000096419480 394686305 /nfs/dbraw/zinc/68/63/05/394686305.db2.gz SHVZIEKSZGGRPX-GHMZBOCLSA-N 0 0 298.364 2.363 50 5 CEBARN O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000044966780 400151087 /nfs/dbraw/zinc/15/10/87/400151087.db2.gz NABAMWXWLRZKPL-WDEREUQCSA-N 0 0 289.316 2.414 50 5 CEBARN Cc1cccc(N2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000218905430 400309418 /nfs/dbraw/zinc/30/94/18/400309418.db2.gz ZGDHCZXRHALOOQ-CMPLNLGQSA-N 0 0 250.298 2.110 50 5 CEBARN COc1cc(C=O)c([N+](=O)[O-])c(Br)c1OC ZINC000002167912 169778480 /nfs/dbraw/zinc/77/84/80/169778480.db2.gz MJJFQBHJHZNDIJ-UHFFFAOYSA-N 0 0 290.069 2.187 50 5 CEBARN CCCOc1ccc(-c2ncn(CCO)c2[N+](=O)[O-])cc1 ZINC000002279265 169784404 /nfs/dbraw/zinc/78/44/04/169784404.db2.gz WASZHFLYYUIMCE-UHFFFAOYSA-N 0 0 291.307 2.239 50 5 CEBARN NC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000004755303 170011870 /nfs/dbraw/zinc/01/18/70/170011870.db2.gz JQOAZLREPAGGHC-UHFFFAOYSA-N 0 0 263.297 2.438 50 5 CEBARN Cc1onc(C(=O)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000004937402 170042769 /nfs/dbraw/zinc/04/27/69/170042769.db2.gz KQMKWULKLOQVCU-QMMMGPOBSA-N 0 0 275.264 2.382 50 5 CEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000004950318 170044782 /nfs/dbraw/zinc/04/47/82/170044782.db2.gz SMOWCNWIJUWKNY-SNVBAGLBSA-N 0 0 298.364 2.324 50 5 CEBARN O=C(CN1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000005063873 170063022 /nfs/dbraw/zinc/06/30/22/170063022.db2.gz QOWCJJCHFBNUSO-UHFFFAOYSA-N 0 0 277.324 2.409 50 5 CEBARN O=c1ccc(-c2ccco2)nn1Cc1ccc([N+](=O)[O-])cc1 ZINC000005387946 170093339 /nfs/dbraw/zinc/09/33/39/170093339.db2.gz IHVJOLBCEVBTNG-UHFFFAOYSA-N 0 0 297.270 2.460 50 5 CEBARN COc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000005939479 170159281 /nfs/dbraw/zinc/15/92/81/170159281.db2.gz LJIVEAWXBAOREJ-UHFFFAOYSA-N 0 0 287.275 2.446 50 5 CEBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000006125104 170177904 /nfs/dbraw/zinc/17/79/04/170177904.db2.gz OYYDTCMVYKEFOP-SNVBAGLBSA-N 0 0 271.276 2.481 50 5 CEBARN CCCCNC(=O)CCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000009185638 170365470 /nfs/dbraw/zinc/36/54/70/170365470.db2.gz DDAYRJCAVNZTCS-UHFFFAOYSA-N 0 0 290.323 2.320 50 5 CEBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000009314780 170371384 /nfs/dbraw/zinc/37/13/84/170371384.db2.gz KUVDJAVPOMZTTR-UHFFFAOYSA-N 0 0 298.707 2.354 50 5 CEBARN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000010132643 170398411 /nfs/dbraw/zinc/39/84/11/170398411.db2.gz SWPBFEBFWUUSHD-VIFPVBQESA-N 0 0 286.291 2.063 50 5 CEBARN Cc1ccc(OCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000020167799 171040532 /nfs/dbraw/zinc/04/05/32/171040532.db2.gz LPQPPEMRNGDHPA-STQMWFEESA-N 0 0 294.351 2.391 50 5 CEBARN O=[N+]([O-])c1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000020653125 171269083 /nfs/dbraw/zinc/26/90/83/171269083.db2.gz IMUPCOPFTCOVCP-UHFFFAOYSA-N 0 0 280.324 2.086 50 5 CEBARN COCCNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] ZINC000020897934 171278726 /nfs/dbraw/zinc/27/87/26/171278726.db2.gz CRKJQCFRFBBFAK-UHFFFAOYSA-N 0 0 278.268 2.012 50 5 CEBARN CCCCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040498753 174296106 /nfs/dbraw/zinc/29/61/06/174296106.db2.gz OHRZRQXWZCQMGU-UHFFFAOYSA-N 0 0 276.296 2.343 50 5 CEBARN CCOCCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043148634 174981233 /nfs/dbraw/zinc/98/12/33/174981233.db2.gz ZAOLSTHBEDCFOE-UHFFFAOYSA-N 0 0 281.312 2.451 50 5 CEBARN Cc1c(Cn2nnnc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000048706954 175444864 /nfs/dbraw/zinc/44/48/64/175444864.db2.gz BQLYRKSHGZKQIW-UHFFFAOYSA-N 0 0 275.312 2.236 50 5 CEBARN NC(=O)COC(=O)c1cc2ccccc2c2cccnc12 ZINC000058290364 175616413 /nfs/dbraw/zinc/61/64/13/175616413.db2.gz KTBUBTTYHYPUAN-UHFFFAOYSA-N 0 0 280.283 2.030 50 5 CEBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCC(F)(F)F ZINC000071810161 176267805 /nfs/dbraw/zinc/26/78/05/176267805.db2.gz TWDOFAGFLHHGFX-UHFFFAOYSA-N 0 0 288.181 2.143 50 5 CEBARN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000071916054 176299280 /nfs/dbraw/zinc/29/92/80/176299280.db2.gz LGIMBJWAQPDEJH-UHFFFAOYSA-N 0 0 262.309 2.444 50 5 CEBARN O=[N+]([O-])c1ccc(NCCCOC[C@H]2CCOC2)cc1 ZINC000072293807 176362816 /nfs/dbraw/zinc/36/28/16/176362816.db2.gz IFRMXKFYJLPGBZ-GFCCVEGCSA-N 0 0 280.324 2.450 50 5 CEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1CO ZINC000072305902 176366200 /nfs/dbraw/zinc/36/62/00/176366200.db2.gz FYYMGIDXTXVZQQ-GXFFZTMASA-N 0 0 293.323 2.267 50 5 CEBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000076857706 177122561 /nfs/dbraw/zinc/12/25/61/177122561.db2.gz QMEDQUICMFQNHO-ZYHUDNBSSA-N 0 0 295.339 2.469 50 5 CEBARN C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000006250449 287360816 /nfs/dbraw/zinc/36/08/16/287360816.db2.gz IQLGAMSCHZRQLF-SNVBAGLBSA-N 0 0 298.364 2.235 50 5 CEBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Sc2nncn21 ZINC000000447597 275019848 /nfs/dbraw/zinc/01/98/48/275019848.db2.gz MIASPDXXKQUDAV-VIFPVBQESA-N 0 0 276.277 2.064 50 5 CEBARN O=c1nc2c3ccccc3ncn2nc1-c1cccs1 ZINC000015565940 275044208 /nfs/dbraw/zinc/04/42/08/275044208.db2.gz KQTCPQMSSZPMED-UHFFFAOYSA-N 0 0 280.312 2.366 50 5 CEBARN COc1c2nccc3c4ccccc4n(c32)c(=O)c1OC ZINC000013482860 277366036 /nfs/dbraw/zinc/36/60/36/277366036.db2.gz ATONBUGCNDSBBC-UHFFFAOYSA-N 0 0 280.283 2.456 50 5 in-vitro CEBARN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000004677095 288030230 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CC[C@H](C)OC(=O)C=S([O-])c1ccccc1[N+](=O)[O-] ZINC000001796120 566964544 /nfs/dbraw/zinc/96/45/44/566964544.db2.gz IMBQTKWWUKSLRB-ZRNGKTOUSA-N 0 0 285.321 2.044 50 5 CEBARN Cc1c(CC(=O)OC2CSC2)cccc1[N+](=O)[O-] ZINC000952848640 815069558 /nfs/dbraw/zinc/06/95/58/815069558.db2.gz DFYLHTFDKPSKOB-UHFFFAOYSA-N 0 0 267.306 2.104 50 5 CEBARN Cc1nc(N(C)[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000095990632 185057686 /nfs/dbraw/zinc/05/76/86/185057686.db2.gz PVZFOKBHIXVDKV-SNVBAGLBSA-N 0 0 275.312 2.229 50 5 CEBARN O=C(NCCCn1ccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000033040311 361771737 /nfs/dbraw/zinc/77/17/37/361771737.db2.gz HTTWFDHVFUKEBF-UHFFFAOYSA-N 0 0 289.295 2.003 50 5 CEBARN C[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000097031877 185154714 /nfs/dbraw/zinc/15/47/14/185154714.db2.gz ZJZFHUBQOQMBCO-AOOOYVTPSA-N 0 0 298.364 2.376 50 5 CEBARN Cc1c(C)c(C(=O)OC(C)(C)C)[nH]c1CC[N+](=O)[O-] ZINC000019908488 343375628 /nfs/dbraw/zinc/37/56/28/343375628.db2.gz FPXMSHUXHACGLO-UHFFFAOYSA-N 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CC[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005569035 361333319 /nfs/dbraw/zinc/33/33/19/361333319.db2.gz QKHJGXMEPFNZLA-GFCCVEGCSA-N 0 0 291.351 2.290 50 5 CEBARN Cc1cc(C(=O)Nc2ncccc2O)ccc1[N+](=O)[O-] ZINC000012787109 361400568 /nfs/dbraw/zinc/40/05/68/361400568.db2.gz YPFALEOMJAORCP-UHFFFAOYSA-N 0 0 273.248 2.256 50 5 CEBARN Cc1[nH]nc(SCC(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000013132986 361419804 /nfs/dbraw/zinc/41/98/04/361419804.db2.gz DQJKEBMTNDVYNT-UHFFFAOYSA-N 0 0 298.368 2.167 50 5 CEBARN O=c1ccc([N+](=O)[O-])cn1Cc1coc(-c2ccccc2)n1 ZINC000014807104 361460300 /nfs/dbraw/zinc/46/03/00/361460300.db2.gz DAEBFLHOJSOHFO-UHFFFAOYSA-N 0 0 297.270 2.460 50 5 CEBARN Nc1ccc(C(=O)NCCc2cccs2)cc1[N+](=O)[O-] ZINC000017909502 361512466 /nfs/dbraw/zinc/51/24/66/361512466.db2.gz XPHYYJYDILOBPX-UHFFFAOYSA-N 0 0 291.332 2.211 50 5 CEBARN CC[C@H](C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000024989791 361617314 /nfs/dbraw/zinc/61/73/14/361617314.db2.gz KTLIFYLQVVQOBJ-QMMMGPOBSA-N 0 0 251.286 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Nc1nccc(Oc2ccc([N+](=O)[O-])c(F)c2)c1[N+](=O)[O-] ZINC000082238088 363753008 /nfs/dbraw/zinc/75/30/08/363753008.db2.gz RLNWRZYBFSHJPB-UHFFFAOYSA-N 0 0 294.198 2.242 50 5 CEBARN C[C@H](Cn1cccn1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000083794346 363787504 /nfs/dbraw/zinc/78/75/04/363787504.db2.gz ZPRQGBBJHPCNDX-SNVBAGLBSA-N 0 0 275.264 2.037 50 5 CEBARN CCC[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000012729422 361395934 /nfs/dbraw/zinc/39/59/34/361395934.db2.gz NXJOHCQDERYELY-SECBINFHSA-N 0 0 294.307 2.284 50 5 CEBARN CCC(CC)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000012952760 361411383 /nfs/dbraw/zinc/41/13/83/361411383.db2.gz JTNPKKJLGUSQEP-UHFFFAOYSA-N 0 0 276.296 2.203 50 5 CEBARN O=c1cc(COc2cccc([N+](=O)[O-])c2)nc2ccccn12 ZINC000016207069 361485397 /nfs/dbraw/zinc/48/53/97/361485397.db2.gz DKYJQEKNALYYTD-UHFFFAOYSA-N 0 0 297.270 2.182 50 5 CEBARN O=C(CCn1cnc([N+](=O)[O-])c1)NC1CCCCCC1 ZINC000024432221 361609594 /nfs/dbraw/zinc/60/95/94/361609594.db2.gz VBNSZSMBKFJEFO-UHFFFAOYSA-N 0 0 280.328 2.020 50 5 CEBARN Nc1ncnc(SCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000028405821 361671859 /nfs/dbraw/zinc/67/18/59/361671859.db2.gz WIFJSIIHUXHYLW-UHFFFAOYSA-N 0 0 280.284 2.398 50 5 CEBARN Cc1ccc(C)c(C(=O)Cn2cnc([N+](=O)[O-])c2)c1 ZINC000029749550 361690292 /nfs/dbraw/zinc/69/02/92/361690292.db2.gz JMCGBIMRHBDHHP-UHFFFAOYSA-N 0 0 259.265 2.291 50 5 CEBARN O=C1OCCN1CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000031708850 361716915 /nfs/dbraw/zinc/71/69/15/361716915.db2.gz GNTVQXPJYJFWLJ-UHFFFAOYSA-N 0 0 286.671 2.079 50 5 CEBARN Cc1c(C(=O)N[C@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000095455589 364385489 /nfs/dbraw/zinc/38/54/89/364385489.db2.gz DUXXZFXGCZBTDJ-KOLCDFICSA-N 0 0 278.308 2.201 50 5 CEBARN COc1ccc(OCCn2nc(C)cc2C)c([N+](=O)[O-])c1 ZINC000097082526 364442217 /nfs/dbraw/zinc/44/22/17/364442217.db2.gz JRHQYMNBDWDHLL-UHFFFAOYSA-N 0 0 291.307 2.496 50 5 CEBARN CC[C@H](C)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000097083935 364442896 /nfs/dbraw/zinc/44/28/96/364442896.db2.gz 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289.243 2.268 50 5 CEBARN COC(=O)C1=C(C)NC(c2ccccc2[N+](=O)[O-])C1=O ZINC000012372106 170480636 /nfs/dbraw/zinc/48/06/36/170480636.db2.gz CLDDXIRVVRBLHL-UHFFFAOYSA-N 0 0 276.248 2.391 50 5 CEBARN C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000013124926 170533978 /nfs/dbraw/zinc/53/39/78/170533978.db2.gz PTSMTPGJTINRMS-PKRZQGHMSA-N 0 0 290.319 2.244 50 5 CEBARN Cc1ccccc1OCCn1cc([N+](=O)[O-])ccc1=O ZINC000014185468 170622269 /nfs/dbraw/zinc/62/22/69/170622269.db2.gz KWUWZFIXWWTIEP-UHFFFAOYSA-N 0 0 274.276 2.144 50 5 CEBARN CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014657388 170641311 /nfs/dbraw/zinc/64/13/11/170641311.db2.gz QUHNNQRMKITWAJ-UHFFFAOYSA-N 0 0 299.286 2.207 50 5 CEBARN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000020167667 171040795 /nfs/dbraw/zinc/04/07/95/171040795.db2.gz PMKVSECKMYBFLA-VXGBXAGGSA-N 0 0 280.324 2.083 50 5 CEBARN Cc1noc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000024864777 171442563 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ZINC000069325779 175823193 /nfs/dbraw/zinc/82/31/93/175823193.db2.gz GYRWXNKYZHKFPX-UHFFFAOYSA-N 0 0 292.339 2.098 50 5 CEBARN CC(C)(C)C(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071186491 176060127 /nfs/dbraw/zinc/06/01/27/176060127.db2.gz GDWUDDFNBXLZCB-UHFFFAOYSA-N 0 0 288.307 2.469 50 5 CEBARN C[C@@H](CCc1cccn1C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000072297627 176364069 /nfs/dbraw/zinc/36/40/69/176364069.db2.gz VOWSLBPAEDWFBY-JTQLQIEISA-N 0 0 290.323 2.013 50 5 CEBARN CCCn1cc(-c2nnc3n2CCCCC3)c([N+](=O)[O-])n1 ZINC000072334163 176370880 /nfs/dbraw/zinc/37/08/80/176370880.db2.gz HGVVZMQWBXDXMO-UHFFFAOYSA-N 0 0 290.327 2.186 50 5 CEBARN Cn1cc(COc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000072334147 176370936 /nfs/dbraw/zinc/37/09/36/176370936.db2.gz VYTOPNIWPYXLHB-UHFFFAOYSA-N 0 0 251.217 2.046 50 5 CEBARN Cc1cc(NCCNC(=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000078515700 177349117 /nfs/dbraw/zinc/34/91/17/177349117.db2.gz MXSJODFBARVSEI-UHFFFAOYSA-N 0 0 279.340 2.477 50 5 CEBARN Cc1cnc(NC[C@@H](O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000078664980 177367654 /nfs/dbraw/zinc/36/76/54/177367654.db2.gz HAZOXTZONWAOBB-GFCCVEGCSA-N 0 0 265.313 2.261 50 5 CEBARN C[C@@H]1CCCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000004010555 287360835 /nfs/dbraw/zinc/36/08/35/287360835.db2.gz YXPABINOQSWFKV-MRVPVSSYSA-N 0 0 262.269 2.367 50 5 CEBARN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nc1nnnn12 ZINC000000808027 275038714 /nfs/dbraw/zinc/03/87/14/275038714.db2.gz KNPOBTKRUSHFFJ-UHFFFAOYSA-N 0 0 292.258 2.248 50 5 CEBARN COc1ccc2c(Cl)c([N+](=O)[O-])c(=O)oc2c1 ZINC000000057895 277432789 /nfs/dbraw/zinc/43/27/89/277432789.db2.gz DREANCBZYHJXQP-UHFFFAOYSA-N 0 0 255.613 2.363 50 5 CEBARN COc1ccc2sc3nc(=O)c4cccnc4n3c2c1 ZINC000085421488 278005692 /nfs/dbraw/zinc/00/56/92/278005692.db2.gz QYNUGYCWIMXNQO-UHFFFAOYSA-N 0 0 283.312 2.466 50 5 CEBARN C[C@@H]1Cn2c(nnc2-c2cccc([N+](=O)[O-])c2)S1 ZINC000001059892 279024356 /nfs/dbraw/zinc/02/43/56/279024356.db2.gz OLKUVDRWIDXPKM-SSDOTTSWSA-N 0 0 262.294 2.348 50 5 CEBARN C[C@@H]1c2cccn2CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000030267232 279140561 /nfs/dbraw/zinc/14/05/61/279140561.db2.gz XOJDNDDERHRLKY-SECBINFHSA-N 0 0 275.264 2.206 50 5 CEBARN C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025139862 288340444 /nfs/dbraw/zinc/34/04/44/288340444.db2.gz YMPUHSSLFYDULT-MRVPVSSYSA-N 0 0 284.699 2.109 50 5 CEBARN O=[N+]([O-])c1cc(Cl)cnc1N1CCOC[C@H]1C1CC1 ZINC000096502921 304800044 /nfs/dbraw/zinc/80/00/44/304800044.db2.gz IEWYTNIZJBUXMW-NSHDSACASA-N 0 0 283.715 2.258 50 5 CEBARN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C=CCCC1 ZINC000096500683 534424796 /nfs/dbraw/zinc/42/47/96/534424796.db2.gz TUBWGFQXNQEBCN-SECBINFHSA-N 0 0 262.269 2.220 50 5 CEBARN CC(C)C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000048300502 519479021 /nfs/dbraw/zinc/47/90/21/519479021.db2.gz OGLOCZUNJKATNG-UHFFFAOYSA-N 0 0 291.351 2.336 50 5 CEBARN COC(=O)c1ccc(COc2ncc(C)cc2[N+](=O)[O-])o1 ZINC000178281726 522048919 /nfs/dbraw/zinc/04/89/19/522048919.db2.gz RVTDXAHSDBAEFZ-UHFFFAOYSA-N 0 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CC(C)OCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003455829 361281210 /nfs/dbraw/zinc/28/12/10/361281210.db2.gz HRTBWJOQBDHLGZ-UHFFFAOYSA-N 0 0 266.297 2.140 50 5 CEBARN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1 ZINC000004240517 361306907 /nfs/dbraw/zinc/30/69/07/361306907.db2.gz INKGKPCLQCFQKB-UHFFFAOYSA-N 0 0 257.249 2.429 50 5 CEBARN Cc1cc(C)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004016743 361297510 /nfs/dbraw/zinc/29/75/10/361297510.db2.gz FGUCZYFQZQRFRH-UHFFFAOYSA-N 0 0 274.280 2.047 50 5 CEBARN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000004020713 361297979 /nfs/dbraw/zinc/29/79/79/361297979.db2.gz WWZLBFAFCHQFSE-UHFFFAOYSA-N 0 0 298.364 2.324 50 5 CEBARN C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000004524435 361320016 /nfs/dbraw/zinc/32/00/16/361320016.db2.gz PTSMTPGJTINRMS-KZQRZKTQSA-N 0 0 290.319 2.244 50 5 CEBARN CCCC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000004537317 361320471 /nfs/dbraw/zinc/32/04/71/361320471.db2.gz YYJIZJTYDLHGDD-UHFFFAOYSA-N 0 0 251.238 2.349 50 5 CEBARN COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 ZINC000005640448 361333168 /nfs/dbraw/zinc/33/31/68/361333168.db2.gz FVIYCYAHKMJVJK-UHFFFAOYSA-N 0 0 258.229 2.366 50 5 endogenous,in-man CEBARN CS(=O)(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000083984767 363792419 /nfs/dbraw/zinc/79/24/19/363792419.db2.gz FZBXQRMOHJBUQT-UHFFFAOYSA-N 0 0 298.345 2.263 50 5 CEBARN COc1ccc(C)cc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000014139688 361449082 /nfs/dbraw/zinc/44/90/82/361449082.db2.gz ZVMODTHGKLIZNK-UHFFFAOYSA-N 0 0 274.276 2.122 50 5 CEBARN CCOC(=O)C(C)(C)Oc1ccc([N+](=O)[O-])cc1 ZINC000016989290 361500830 /nfs/dbraw/zinc/50/08/30/361500830.db2.gz WCXNETDTQPCZQA-UHFFFAOYSA-N 0 0 253.254 2.315 50 5 CEBARN Cc1c(C(=O)N[C@@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000095455588 364385905 /nfs/dbraw/zinc/38/59/05/364385905.db2.gz DUXXZFXGCZBTDJ-MWLCHTKSSA-N 0 0 278.308 2.201 50 5 CEBARN Cc1cc(NC(=O)N(CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000097163051 364469978 /nfs/dbraw/zinc/46/99/78/364469978.db2.gz 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O=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]ncc1[N+](=O)[O-] ZINC000017022363 361502248 /nfs/dbraw/zinc/50/22/48/361502248.db2.gz BMVUORGMTJKJBV-UHFFFAOYSA-N 0 0 290.323 2.017 50 5 CEBARN Cc1cc(=O)[nH]c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000018094241 361513619 /nfs/dbraw/zinc/51/36/19/361513619.db2.gz DZLSHRVBNSDZBD-UHFFFAOYSA-N 0 0 277.305 2.279 50 5 CEBARN O=C(NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000030056850 361694182 /nfs/dbraw/zinc/69/41/82/361694182.db2.gz DFTDHYFOUYHIQX-UHFFFAOYSA-N 0 0 292.291 2.038 50 5 CEBARN O=[N+]([O-])c1ccc(Oc2cccc(-n3ccnn3)c2)nc1 ZINC000302142168 201362534 /nfs/dbraw/zinc/36/25/34/201362534.db2.gz FMOLQCIIVGPSSB-UHFFFAOYSA-N 0 0 283.247 2.363 50 5 CEBARN Cc1c[nH]nc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089568361 363979098 /nfs/dbraw/zinc/97/90/98/363979098.db2.gz DOIPMPAZHOZFII-UHFFFAOYSA-N 0 0 261.241 2.270 50 5 CEBARN C[C@H]1CCCC[C@H]1OCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000095412970 364365325 /nfs/dbraw/zinc/36/53/25/364365325.db2.gz JPVRERQVXXGVMG-SMDDNHRTSA-N 0 0 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O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)C2CC2)c1)C1CC1 ZINC000004903855 170039193 /nfs/dbraw/zinc/03/91/93/170039193.db2.gz CYBXNJUGZHEZTP-UHFFFAOYSA-N 0 0 289.291 2.292 50 5 CEBARN Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000005537025 170110485 /nfs/dbraw/zinc/11/04/85/170110485.db2.gz CYYXSGKPIOBFPK-UWVGGRQHSA-N 0 0 278.308 2.153 50 5 CEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccncc1 ZINC000005745199 170136227 /nfs/dbraw/zinc/13/62/27/170136227.db2.gz ZAXLUCCJXQZBJN-UHFFFAOYSA-N 0 0 273.248 2.251 50 5 CEBARN O=[N+]([O-])c1ccc(OCc2nnnn2-c2ccccc2)cc1 ZINC000006242949 170184817 /nfs/dbraw/zinc/18/48/17/170184817.db2.gz YYMANZBQJLPUOY-UHFFFAOYSA-N 0 0 297.274 2.150 50 5 CEBARN O=C(N[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000006242003 170184818 /nfs/dbraw/zinc/18/48/18/170184818.db2.gz BYTPVRASXSQVDR-AWEZNQCLSA-N 0 0 286.287 2.058 50 5 CEBARN Cc1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000008269963 170327832 /nfs/dbraw/zinc/32/78/32/170327832.db2.gz MZBXEGWIVXVRKO-UHFFFAOYSA-N 0 0 272.264 2.254 50 5 CEBARN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000009157286 170364961 /nfs/dbraw/zinc/36/49/61/170364961.db2.gz DMVVXFNBGSGVNX-UHFFFAOYSA-N 0 0 285.303 2.330 50 5 CEBARN CCCN=C1NN=C(c2ccc([N+](=O)[O-])cc2)CS1 ZINC000009605239 170382509 /nfs/dbraw/zinc/38/25/09/170382509.db2.gz DPAGPWPEHLVUNV-UHFFFAOYSA-N 0 0 278.337 2.401 50 5 CEBARN CC(C)C[C@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000034781686 171866587 /nfs/dbraw/zinc/86/65/87/171866587.db2.gz VYXPTHIDLHOPAH-LBPRGKRZSA-N 0 0 266.297 2.011 50 5 CEBARN CC(C)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000040538726 174321592 /nfs/dbraw/zinc/32/15/92/174321592.db2.gz NWFNNFCCYGSMRB-SECBINFHSA-N 0 0 284.287 2.273 50 5 CEBARN CC[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000070003827 175866214 /nfs/dbraw/zinc/86/62/14/175866214.db2.gz GQWVVLKECVNZQD-ZETCQYMHSA-N 0 0 267.310 2.387 50 5 CEBARN COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC000005732370 277385944 /nfs/dbraw/zinc/38/59/44/277385944.db2.gz 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/nfs/dbraw/zinc/03/91/82/185039182.db2.gz KFJADMZKDPYNQU-UHFFFAOYSA-N 0 0 264.281 2.268 50 5 CEBARN Cc1cc(C(=O)N2CCc3cnccc32)c(N)c([N+](=O)[O-])c1 ZINC000121647515 365599139 /nfs/dbraw/zinc/59/91/39/365599139.db2.gz CUPXLZAMRFBWKR-UHFFFAOYSA-N 0 0 298.302 2.083 50 5 CEBARN Cc1ccn(CCOc2cccc([N+](=O)[O-])c2)c(=O)c1 ZINC000096007396 185063473 /nfs/dbraw/zinc/06/34/73/185063473.db2.gz QYDMSYBEHZDSFE-UHFFFAOYSA-N 0 0 274.276 2.144 50 5 CEBARN O=C(c1ccccc1[N+](=O)[O-])N1CC(=O)Nc2ccccc21 ZINC000036762888 361855139 /nfs/dbraw/zinc/85/51/39/361855139.db2.gz OKBJVDXLOLBFFQ-UHFFFAOYSA-N 0 0 297.270 2.194 50 5 CEBARN CCO[C@H]1CCCN(c2nc(OC)ccc2[N+](=O)[O-])C1 ZINC000080226589 344003695 /nfs/dbraw/zinc/00/36/95/344003695.db2.gz DITHZBDQOURRMK-JTQLQIEISA-N 0 0 281.312 2.004 50 5 CEBARN CCOC(=O)c1cc(NC2CC2)c(F)cc1[N+](=O)[O-] ZINC000725261680 539209741 /nfs/dbraw/zinc/20/97/41/539209741.db2.gz BPTBZHLKPLWKRW-UHFFFAOYSA-N 0 0 268.244 2.485 50 5 CEBARN COc1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005527611 343354833 /nfs/dbraw/zinc/35/48/33/343354833.db2.gz CBMHBKBRVPCOBU-UHFFFAOYSA-N 0 0 293.300 2.436 50 5 CEBARN CCOC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000050064329 362395722 /nfs/dbraw/zinc/39/57/22/362395722.db2.gz WIUUXCKPHHJYQW-CYBMUJFWSA-N 0 0 278.308 2.122 50 5 CEBARN O=[N+]([O-])c1cn(Cc2ccc(CO)cc2)nc1C1CC1 ZINC000195056913 344520589 /nfs/dbraw/zinc/52/05/89/344520589.db2.gz VUARUGRFWKGKHU-UHFFFAOYSA-N 0 0 273.292 2.209 50 5 CEBARN Cc1ncc(CN(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000339089616 214947488 /nfs/dbraw/zinc/94/74/88/214947488.db2.gz DXDNDPNEUYLCLK-UHFFFAOYSA-N 0 0 272.308 2.325 50 5 CEBARN O=C(N[C@H]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162555 185552900 /nfs/dbraw/zinc/55/29/00/185552900.db2.gz JEVAVCXVUVFVMW-KOLCDFICSA-N 0 0 298.726 2.139 50 5 CEBARN O=C(CCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000002581213 169813342 /nfs/dbraw/zinc/81/33/42/169813342.db2.gz DADILSHUVAVFTC-UHFFFAOYSA-N 0 0 265.265 2.321 50 5 CEBARN Cn1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000072274928 363125923 /nfs/dbraw/zinc/12/59/23/363125923.db2.gz VIWZWFFHOOFMIZ-UHFFFAOYSA-N 0 0 271.236 2.045 50 5 CEBARN Cc1nn(C)cc1[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000079089711 363575624 /nfs/dbraw/zinc/57/56/24/363575624.db2.gz OWQWTCYASAUKFN-MRVPVSSYSA-N 0 0 261.285 2.205 50 5 CEBARN Nc1nnc(SCc2ccccc2[N+](=O)[O-])s1 ZINC000000036134 361118907 /nfs/dbraw/zinc/11/89/07/361118907.db2.gz XSXZELSKPDCQFR-UHFFFAOYSA-N 0 0 268.323 2.321 50 5 CEBARN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](O)C2)c1 ZINC000000241398 361150662 /nfs/dbraw/zinc/15/06/62/361150662.db2.gz VOVWXRBCGOSETA-NSHDSACASA-N 0 0 270.716 2.205 50 5 CEBARN Cc1ccc(C(=O)NCc2ccncc2)cc1[N+](=O)[O-] ZINC000000272266 361155703 /nfs/dbraw/zinc/15/57/03/361155703.db2.gz DRQZEYPCZQDYCA-UHFFFAOYSA-N 0 0 271.276 2.228 50 5 CEBARN Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 ZINC000000402623 361170558 /nfs/dbraw/zinc/17/05/58/361170558.db2.gz CEBXXEKPIIDJHL-UHFFFAOYSA-N 0 0 258.229 2.371 50 5 endogenous,in-man CEBARN COC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000001433281 361205960 /nfs/dbraw/zinc/20/59/60/361205960.db2.gz YUWPKYJCYRFBJT-UHFFFAOYSA-N 0 0 260.043 2.144 50 5 CEBARN Cc1cc(OCC(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000001284531 361199833 /nfs/dbraw/zinc/19/98/33/361199833.db2.gz VUSBHJXCONCXMY-UHFFFAOYSA-N 0 0 290.275 2.191 50 5 CEBARN COCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC ZINC000001387316 361202395 /nfs/dbraw/zinc/20/23/95/361202395.db2.gz UENANUSSLJFSAR-UHFFFAOYSA-N 0 0 299.282 2.274 50 5 CEBARN CCC(CC)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000003515183 361282877 /nfs/dbraw/zinc/28/28/77/361282877.db2.gz BSOCRBYSQVUKPH-UHFFFAOYSA-N 0 0 266.297 2.278 50 5 CEBARN COCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000003882694 361293599 /nfs/dbraw/zinc/29/35/99/361293599.db2.gz SYZWNFJZTROYME-UHFFFAOYSA-N 0 0 269.644 2.445 50 5 CEBARN Nc1ncnc(Sc2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000003893151 361293614 /nfs/dbraw/zinc/29/36/14/361293614.db2.gz PVEICEYUDIGUIW-UHFFFAOYSA-N 0 0 289.276 2.259 50 5 CEBARN O=C(COc1ccccc1O)Nc1cccc([N+](=O)[O-])c1 ZINC000003195054 361266714 /nfs/dbraw/zinc/26/67/14/361266714.db2.gz BBGWHUKPUJQRGM-UHFFFAOYSA-N 0 0 288.259 2.318 50 5 CEBARN NC(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301426389 201005730 /nfs/dbraw/zinc/00/57/30/201005730.db2.gz HPBIDCODCCEPMW-QMMMGPOBSA-N 0 0 298.730 2.203 50 5 CEBARN CCCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004673240 361325775 /nfs/dbraw/zinc/32/57/75/361325775.db2.gz IHLKBFHSSBKZRQ-UHFFFAOYSA-N 0 0 252.270 2.133 50 5 CEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000004537431 361320454 /nfs/dbraw/zinc/32/04/54/361320454.db2.gz MQHPHQZPCXFBRJ-NSHDSACASA-N 0 0 298.364 2.466 50 5 CEBARN CCC1=NSC2=NCC(c3ccc([N+](=O)[O-])cc3)=NN12 ZINC000004531403 361321278 /nfs/dbraw/zinc/32/12/78/361321278.db2.gz ORBYDVOMAZNFAW-UHFFFAOYSA-N 0 0 289.320 2.441 50 5 CEBARN O=C(Nc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000010325487 361349209 /nfs/dbraw/zinc/34/92/09/361349209.db2.gz BXRMMNYQOBEAHV-UHFFFAOYSA-N 0 0 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CC[C@@H](C)OC(=O)C=S([O-])c1ccccc1[N+](=O)[O-] ZINC000001796118 566963847 /nfs/dbraw/zinc/96/38/47/566963847.db2.gz IMBQTKWWUKSLRB-AYLIAGHASA-N 0 0 285.321 2.044 50 5 CEBARN CCCCCOC(=O)C=S([O-])c1ccccc1[N+](=O)[O-] ZINC000001796121 566963957 /nfs/dbraw/zinc/96/39/57/566963957.db2.gz PLBCMKWPGYZHLZ-HXUWFJFHSA-N 0 0 299.348 2.436 50 5 CEBARN C[C@H](C(=O)Nc1ccc(F)cc1F)n1cc([N+](=O)[O-])cn1 ZINC000001423796 230366827 /nfs/dbraw/zinc/36/68/27/230366827.db2.gz MRTBKZHSRLIADM-SSDOTTSWSA-N 0 0 296.233 2.269 50 5 CEBARN C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000004071354 230368241 /nfs/dbraw/zinc/36/82/41/230368241.db2.gz XWQQUNGQFBDCHJ-JTQLQIEISA-N 0 0 284.337 2.015 50 5 CEBARN Cc1nc(C2CCN(c3sccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000095986643 185055755 /nfs/dbraw/zinc/05/57/55/185055755.db2.gz RGCXMIPEHIMAEB-UHFFFAOYSA-N 0 0 293.352 2.467 50 5 CEBARN Nc1nc(NCCc2c[nH]c3ccccc23)ncc1[N+](=O)[O-] ZINC000032777859 361755847 /nfs/dbraw/zinc/75/58/47/361755847.db2.gz RKUFFHPGXWJMOY-UHFFFAOYSA-N 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CC(C)(NC(=O)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000079630492 363619364 /nfs/dbraw/zinc/61/93/64/363619364.db2.gz UAULSXBGNYQEKM-GFCCVEGCSA-N 0 0 278.308 2.125 50 5 CEBARN CN(CC(F)(F)F)C(=O)CNc1ccc([N+](=O)[O-])cc1 ZINC000078340177 540570142 /nfs/dbraw/zinc/57/01/42/540570142.db2.gz PKURSVDUDHNPGV-UHFFFAOYSA-N 0 0 291.229 2.027 50 5 CEBARN COCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000148288 361135992 /nfs/dbraw/zinc/13/59/92/361135992.db2.gz LDTGCYGZKXQZTL-UHFFFAOYSA-N 0 0 293.304 2.303 50 5 CEBARN Cc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000000183255 361141450 /nfs/dbraw/zinc/14/14/50/361141450.db2.gz OQJIHDLAGNFTAA-UHFFFAOYSA-N 0 0 271.276 2.228 50 5 CEBARN Cn1nc([N+](=O)[O-])nc1Oc1cccc2cccnc21 ZINC000000201638 361145305 /nfs/dbraw/zinc/14/53/05/361145305.db2.gz BBKACMQEKPZARV-UHFFFAOYSA-N 0 0 271.236 2.064 50 5 CEBARN Cc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-] ZINC000000253004 361152248 /nfs/dbraw/zinc/15/22/48/361152248.db2.gz YCRWHNHIARQJPE-UHFFFAOYSA-N 0 0 271.276 2.228 50 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CEBARN CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1 ZINC000005249675 394457997 /nfs/dbraw/zinc/45/79/97/394457997.db2.gz JUJAWBQDGZESMF-VIFPVBQESA-N 0 0 294.359 2.168 50 5 CEBARN CCOc1cccc(N2CC[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000221832513 394462867 /nfs/dbraw/zinc/46/28/67/394462867.db2.gz HWPBIUFPDPSRRD-PWSUYJOCSA-N 0 0 280.324 2.201 50 5 CEBARN CC[C@H](NC(=O)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000079018695 394628955 /nfs/dbraw/zinc/62/89/55/394628955.db2.gz HTYVHTQBHGXZLA-CABZTGNLSA-N 0 0 266.297 2.197 50 5 CEBARN O=C(OCCn1cccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000048285911 400191618 /nfs/dbraw/zinc/19/16/18/400191618.db2.gz KXEBNXMOQHIVDT-UHFFFAOYSA-N 0 0 295.682 2.302 50 5 CEBARN COc1c2[nH]ccc3c4ccccc4n(c3-2)c(=O)c1=O ZINC000013482852 286186717 /nfs/dbraw/zinc/18/67/17/286186717.db2.gz PGFKZUOYIFDMQJ-UHFFFAOYSA-N 0 0 266.256 2.153 50 5 in-vitro CEBARN COc1cc([N+](=O)[O-])ccc1I ZINC000001614563 286249509 /nfs/dbraw/zinc/24/95/09/286249509.db2.gz RBFWMPRFYROKPI-UHFFFAOYSA-N 0 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LWLFBYMWTSWMNI-LLVKDONJSA-N 0 0 295.364 2.369 50 5 CEBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000005173326 170073674 /nfs/dbraw/zinc/07/36/74/170073674.db2.gz DTDHVKFLIXQKKL-UHFFFAOYSA-N 0 0 288.219 2.150 50 5 CEBARN O=C(CC1CCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000005589168 170116828 /nfs/dbraw/zinc/11/68/28/170116828.db2.gz KCOIQFOTQIJIJH-UHFFFAOYSA-N 0 0 277.324 2.313 50 5 CEBARN Cc1ccc(NC(=O)c2cc3ncccn3n2)c([N+](=O)[O-])c1 ZINC000006788021 170244100 /nfs/dbraw/zinc/24/41/00/170244100.db2.gz XNMQKWFGWHBHLL-UHFFFAOYSA-N 0 0 297.274 2.198 50 5 CEBARN CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008163664 170322090 /nfs/dbraw/zinc/32/20/90/170322090.db2.gz ALRDCUOZHBEWND-UHFFFAOYSA-N 0 0 291.229 2.162 50 5 CEBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000012778352 170510035 /nfs/dbraw/zinc/51/00/35/170510035.db2.gz XOJKDOACZJBNRS-GFCCVEGCSA-N 0 0 292.316 2.120 50 5 CEBARN CCOC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000019872716 170902390 /nfs/dbraw/zinc/90/23/90/170902390.db2.gz SDVJJESMXVZDLV-UHFFFAOYSA-N 0 0 268.225 2.297 50 5 CEBARN CN(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000022396192 171386497 /nfs/dbraw/zinc/38/64/97/171386497.db2.gz ZVKJMSWSBFRUQS-UHFFFAOYSA-N 0 0 286.291 2.308 50 5 CEBARN Cc1noc([C@@H](C)OC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000025264598 171452365 /nfs/dbraw/zinc/45/23/65/171452365.db2.gz RRPQRYYYQLYZCF-SSDOTTSWSA-N 0 0 277.236 2.204 50 5 CEBARN Cc1nccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000040554146 174330076 /nfs/dbraw/zinc/33/00/76/174330076.db2.gz ILSMWBJICUZSQR-UHFFFAOYSA-N 0 0 272.264 2.254 50 5 CEBARN NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000044920386 175277074 /nfs/dbraw/zinc/27/70/74/175277074.db2.gz HDAIDBBOXKULTK-UHFFFAOYSA-N 0 0 258.233 2.486 50 5 CEBARN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3CO)ccc2c1 ZINC000048865280 175451775 /nfs/dbraw/zinc/45/17/75/175451775.db2.gz HXMBLIJEMIRGPW-GFCCVEGCSA-N 0 0 273.292 2.104 50 5 CEBARN CCOC(=O)CCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000050087193 175509459 /nfs/dbraw/zinc/50/94/59/175509459.db2.gz CBYCSVDREZQQAC-UHFFFAOYSA-N 0 0 270.260 2.123 50 5 CEBARN CCCN(CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000065565094 175751285 /nfs/dbraw/zinc/75/12/85/175751285.db2.gz DFJBWDGWJYUZAS-UHFFFAOYSA-N 0 0 281.312 2.139 50 5 CEBARN Cc1ccccc1N(C(=O)[C@H]1CC1[N+](=O)[O-])C(C)C ZINC000071858639 176279335 /nfs/dbraw/zinc/27/93/35/176279335.db2.gz MCLIVRZYWMGOJL-AAEUAGOBSA-N 0 0 262.309 2.402 50 5 CEBARN CSC[C@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000078022529 177317706 /nfs/dbraw/zinc/31/77/06/177317706.db2.gz BVDDIRCXCAWLMR-LLVKDONJSA-N 0 0 256.327 2.121 50 5 CEBARN CC(C)Cn1ccnc1CNc1ncccc1[N+](=O)[O-] ZINC000078336770 177333730 /nfs/dbraw/zinc/33/37/30/177333730.db2.gz MJYVHJFWBUEJQQ-UHFFFAOYSA-N 0 0 275.312 2.454 50 5 CEBARN O=[N+]([O-])c1cnn(CCc2nc(-c3ccsc3)no2)c1 ZINC000078773669 177385179 /nfs/dbraw/zinc/38/51/79/177385179.db2.gz FKRAKDUIMCSQNV-UHFFFAOYSA-N 0 0 291.292 2.146 50 5 CEBARN C[C@H]1CCCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000004010556 278344306 /nfs/dbraw/zinc/34/43/06/278344306.db2.gz YXPABINOQSWFKV-QMMMGPOBSA-N 0 0 262.269 2.367 50 5 CEBARN Cc1nc2cc(Br)c(N)c([N+](=O)[O-])c2[nH]1 ZINC000004629579 279113200 /nfs/dbraw/zinc/11/32/00/279113200.db2.gz LNAHKSSVEBWDPY-UHFFFAOYSA-N 0 0 271.074 2.124 50 5 CEBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)n1cccn1 ZINC000000475171 280168229 /nfs/dbraw/zinc/16/82/29/280168229.db2.gz CFXNOYGOGQUSPT-UHFFFAOYSA-N 0 0 251.629 2.133 50 5 CEBARN Cc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)on1 ZINC000089204481 280373147 /nfs/dbraw/zinc/37/31/47/280373147.db2.gz FANMRUDWJRJKOO-UHFFFAOYSA-N 0 0 287.235 2.020 50 5 CEBARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000012417559 288652807 /nfs/dbraw/zinc/65/28/07/288652807.db2.gz YEAYJURIIDTPPJ-PHIMTYICSA-N 0 0 298.364 2.261 50 5 CEBARN CN(CCCNc1ncccc1[N+](=O)[O-])c1ccccn1 ZINC000952993629 616075413 /nfs/dbraw/zinc/07/54/13/616075413.db2.gz IVIJTTKDKHGNMK-UHFFFAOYSA-N 0 0 287.323 2.323 50 5 CEBARN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(N)n[nH]1 ZINC000095994638 185060455 /nfs/dbraw/zinc/06/04/55/185060455.db2.gz OVYMOGRRBIXGQM-ZETCQYMHSA-N 0 0 279.325 2.457 50 5 CEBARN C[C@H]1C[C@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000076019644 343876493 /nfs/dbraw/zinc/87/64/93/343876493.db2.gz XOMULOUDQAQEAE-UWVGGRQHSA-N 0 0 298.364 2.233 50 5 CEBARN Nc1nc(NCCc2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000048544185 362283028 /nfs/dbraw/zinc/28/30/28/362283028.db2.gz SHTMOCUEKDPPPG-UHFFFAOYSA-N 0 0 293.714 2.275 50 5 CEBARN Cc1ccc([N+](=O)[O-])c(C(=O)OCCc2cnn(C)c2)c1 ZINC000078948398 343967725 /nfs/dbraw/zinc/96/77/25/343967725.db2.gz UFZMNFKJMJVNRR-UHFFFAOYSA-N 0 0 289.291 2.036 50 5 CEBARN Cc1nc(Cn2ccc(=O)c([N+](=O)[O-])c2)nc2ccccc12 ZINC000084068123 344080585 /nfs/dbraw/zinc/08/05/85/344080585.db2.gz LXNZPXGVAWWRLL-UHFFFAOYSA-N 0 0 296.286 2.056 50 5 CEBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccncc3)CC2)cc1 ZINC000055292059 362546842 /nfs/dbraw/zinc/54/68/42/362546842.db2.gz DIPRJQOYKSPXDD-UHFFFAOYSA-N 0 0 298.346 2.312 50 5 CEBARN CN(CCC(F)(F)F)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080941 185523447 /nfs/dbraw/zinc/52/34/47/185523447.db2.gz CFOWQZKZJVJUAW-UHFFFAOYSA-N 0 0 292.217 2.406 50 5 CEBARN O=[N+]([O-])c1cccnc1N1CCC(n2ccnc2)CC1 ZINC000058156754 362609879 /nfs/dbraw/zinc/60/98/79/362609879.db2.gz KNWSBAWREHNEQR-UHFFFAOYSA-N 0 0 273.296 2.028 50 5 CEBARN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)Cc1ccon1 ZINC000084086173 539491073 /nfs/dbraw/zinc/49/10/73/539491073.db2.gz WPAOFCBYZHFJEU-UHFFFAOYSA-N 0 0 275.264 2.381 50 5 CEBARN CCCC[C@@H]1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000064398091 362785627 /nfs/dbraw/zinc/78/56/27/362785627.db2.gz LNTNRWXPPPWFJW-LBPRGKRZSA-N 0 0 291.307 2.205 50 5 CEBARN CCc1nc(CC)n(C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000092197994 180341291 /nfs/dbraw/zinc/34/12/91/180341291.db2.gz ZYLURRPOTDUDKP-GFCCVEGCSA-N 0 0 290.323 2.045 50 5 CEBARN CCCN(CCO)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000069417383 362966729 /nfs/dbraw/zinc/96/67/29/362966729.db2.gz KFMXLJSDMAIQSV-UHFFFAOYSA-N 0 0 281.312 2.139 50 5 CEBARN Cc1cccnc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000069813178 363004880 /nfs/dbraw/zinc/00/48/80/363004880.db2.gz JYVAIHKAJSHDGE-UHFFFAOYSA-N 0 0 289.266 2.367 50 5 CEBARN CC(C)=CCNc1cc([N+](=O)[O-])ccc1NCCO ZINC000075568250 363475916 /nfs/dbraw/zinc/47/59/16/363475916.db2.gz XEWZAVPSFFIXMT-UHFFFAOYSA-N 0 0 265.313 2.377 50 5 CEBARN CCCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000102578 361129377 /nfs/dbraw/zinc/12/93/77/361129377.db2.gz FHJOMNWSFGPGKH-UHFFFAOYSA-N 0 0 286.353 2.406 50 5 CEBARN COc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000000117053 361131664 /nfs/dbraw/zinc/13/16/64/361131664.db2.gz QFWORHXULLYFOF-SNVBAGLBSA-N 0 0 278.308 2.476 50 5 CEBARN O=C(OCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000000312937 361160410 /nfs/dbraw/zinc/16/04/10/361160410.db2.gz MZVPBUPUBDAXNL-UHFFFAOYSA-N 0 0 275.216 2.228 50 5 CEBARN CC(C)Oc1ccccc1[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-] ZINC000000090381 361126588 /nfs/dbraw/zinc/12/65/88/361126588.db2.gz GZKUGDIHWJPWNL-RISCZKNCSA-N 0 0 278.308 2.070 50 5 CEBARN O=C(CSC1=NCCS1)Nc1cccc([N+](=O)[O-])c1 ZINC000000412115 361171931 /nfs/dbraw/zinc/17/19/31/361171931.db2.gz MJZIQYWEGKWAEV-UHFFFAOYSA-N 0 0 297.361 2.369 50 5 CEBARN COc1cc(C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000449840 361176134 /nfs/dbraw/zinc/17/61/34/361176134.db2.gz JCYSXGLJLDCUQC-UHFFFAOYSA-N 0 0 296.323 2.388 50 5 CEBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000000466969 361178417 /nfs/dbraw/zinc/17/84/17/361178417.db2.gz XOFOFVXQHJCOFQ-UHFFFAOYSA-N 0 0 258.233 2.347 50 5 CEBARN CCn1ncc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000000473354 361179249 /nfs/dbraw/zinc/17/92/49/361179249.db2.gz LMIOMFWJIOQBOQ-UHFFFAOYSA-N 0 0 288.307 2.050 50 5 CEBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000000505404 361181873 /nfs/dbraw/zinc/18/18/73/361181873.db2.gz NMNQYWTYKIYHNT-UHFFFAOYSA-N 0 0 267.248 2.442 50 5 CEBARN O=c1c2ccccc2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000000579122 361187866 /nfs/dbraw/zinc/18/78/66/361187866.db2.gz ZXLFDIQHDOEBIQ-UHFFFAOYSA-N 0 0 281.271 2.353 50 5 CEBARN O=[N+]([O-])c1ncn(Cc2ccc(F)cc2Cl)n1 ZINC000000614338 361189333 /nfs/dbraw/zinc/18/93/33/361189333.db2.gz GIFQUJUIHVNYAV-UHFFFAOYSA-N 0 0 256.624 2.027 50 5 CEBARN CCc1nc2cc([N+](=O)[O-])ccc2n1[C@H](CC)CO ZINC000001457078 361206171 /nfs/dbraw/zinc/20/61/71/361206171.db2.gz ZXJBGVSFNUTVAN-SECBINFHSA-N 0 0 263.297 2.450 50 5 CEBARN COc1cc(C(=O)NC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000001190362 361199645 /nfs/dbraw/zinc/19/96/45/361199645.db2.gz HOIXOVLBVRJJNO-UHFFFAOYSA-N 0 0 294.307 2.284 50 5 CEBARN C[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000333747 361162720 /nfs/dbraw/zinc/16/27/20/361162720.db2.gz LCTNFWXTMUHRBV-JTQLQIEISA-N 0 0 284.337 2.158 50 5 CEBARN O=[N+]([O-])c1cc(F)cc(I)c1 ZINC000001569421 361208807 /nfs/dbraw/zinc/20/88/07/361208807.db2.gz MXPYCSFCKXSPAB-UHFFFAOYSA-N 0 0 266.997 2.339 50 5 CEBARN O=C1c2ccccc2C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000001750545 361220867 /nfs/dbraw/zinc/22/08/67/361220867.db2.gz SIMHDCASOMEHDY-UHFFFAOYSA-N 0 0 282.255 2.391 50 5 CEBARN CCOC(=O)c1nc2ccc(Cl)cn2c1[N+](=O)[O-] ZINC000004003202 361296348 /nfs/dbraw/zinc/29/63/48/361296348.db2.gz KFNXUMFGJGBRGO-UHFFFAOYSA-N 0 0 269.644 2.073 50 5 CEBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])NCc1ccco1 ZINC000003572505 361285196 /nfs/dbraw/zinc/28/51/96/361285196.db2.gz NOPFCRLKPXWRRS-UHFFFAOYSA-N 0 0 294.238 2.022 50 5 CEBARN CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000003894112 361293644 /nfs/dbraw/zinc/29/36/44/361293644.db2.gz PVRMTVXPYYOQRE-UHFFFAOYSA-N 0 0 297.286 2.012 50 5 CEBARN CCOc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1 ZINC000003912557 361294824 /nfs/dbraw/zinc/29/48/24/361294824.db2.gz ISWRFRTUJYTWQI-UHFFFAOYSA-N 0 0 275.268 2.109 50 5 CEBARN NC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002890903 361257963 /nfs/dbraw/zinc/25/79/63/361257963.db2.gz YAGNVMNWDNMUHE-UHFFFAOYSA-N 0 0 295.345 2.296 50 5 CEBARN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000004151014 361302729 /nfs/dbraw/zinc/30/27/29/361302729.db2.gz ICPUSIPGRUCURI-SECBINFHSA-N 0 0 293.279 2.375 50 5 CEBARN CCn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004647138 361323987 /nfs/dbraw/zinc/32/39/87/361323987.db2.gz RFRQIZCSCRAJKS-UHFFFAOYSA-N 0 0 260.253 2.064 50 5 CEBARN CNc1ncnc(N[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000012929957 361409767 /nfs/dbraw/zinc/40/97/67/361409767.db2.gz CTJXZPNWZPSCPB-DTWKUNHWSA-N 0 0 265.317 2.417 50 5 CEBARN C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000013828247 361443944 /nfs/dbraw/zinc/44/39/44/361443944.db2.gz ZPEDJMCBLYICMY-AOOOYVTPSA-N 0 0 295.364 2.401 50 5 CEBARN O=C(Nn1cnc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000013000841 361416038 /nfs/dbraw/zinc/41/60/38/361416038.db2.gz XOXLSNFXEYXASB-UHFFFAOYSA-N 0 0 282.259 2.328 50 5 CEBARN O=C(Nc1cccc2nsnc21)c1ccc([N+](=O)[O-])o1 ZINC000015864501 361480141 /nfs/dbraw/zinc/48/01/41/361480141.db2.gz RYDRZZTVRFQCKK-UHFFFAOYSA-N 0 0 290.260 2.445 50 5 CEBARN CC(=O)Nc1cc(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000016267701 361485809 /nfs/dbraw/zinc/48/58/09/361485809.db2.gz QLQGJKBCPPDGCW-UHFFFAOYSA-N 0 0 253.214 2.078 50 5 CEBARN CN(Cc1cnn(C)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000024586066 361611342 /nfs/dbraw/zinc/61/13/42/361611342.db2.gz PRIBFSAARHQPLF-UHFFFAOYSA-N 0 0 264.260 2.104 50 5 CEBARN Nc1nc(N2CCC[C@H]3CCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC000062022638 283687681 /nfs/dbraw/zinc/68/76/81/283687681.db2.gz LENHSALNNYBPKL-ZJUUUORDSA-N 0 0 277.328 2.126 50 5 CEBARN CN(Cc1ccc(F)cc1F)c1c([N+](=O)[O-])ncn1C ZINC000024207600 361608106 /nfs/dbraw/zinc/60/81/06/361608106.db2.gz FMUPIGQMOASILM-UHFFFAOYSA-N 0 0 282.250 2.243 50 5 CEBARN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000027855008 361660199 /nfs/dbraw/zinc/66/01/99/361660199.db2.gz NQNIWPBNMSQIFK-GXFFZTMASA-N 0 0 278.308 2.201 50 5 CEBARN COc1cc(N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000029753777 361691093 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C/C=C/[C@@H]1Nn2c(nnc2-c2cccc([N+](=O)[O-])c2)S1 ZINC000003843192 361290080 /nfs/dbraw/zinc/29/00/80/361290080.db2.gz KZMHMBYCNMXXAY-XCRNYIDWSA-N 0 0 289.320 2.405 50 5 CEBARN O=C1c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000003898275 361293160 /nfs/dbraw/zinc/29/31/60/361293160.db2.gz FHPIULWDFMBJQJ-UHFFFAOYSA-N 0 0 268.228 2.395 50 5 CEBARN Nc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000003157261 361265744 /nfs/dbraw/zinc/26/57/44/361265744.db2.gz GYSFDLVFVXRLDN-UHFFFAOYSA-N 0 0 257.249 2.429 50 5 CEBARN CC(=O)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120086 361301935 /nfs/dbraw/zinc/30/19/35/361301935.db2.gz VFPPKASOJRYEKI-UHFFFAOYSA-N 0 0 279.321 2.046 50 5 CEBARN O=C(c1ccc(Cl)cc1)n1cc([N+](=O)[O-])cn1 ZINC000004673410 361325210 /nfs/dbraw/zinc/32/52/10/361325210.db2.gz NMJMHQJDUHSEKK-UHFFFAOYSA-N 0 0 251.629 2.133 50 5 CEBARN Cc1nn(C(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)c(C)c1Cl ZINC000004686908 361326552 /nfs/dbraw/zinc/32/65/52/361326552.db2.gz COSXGOPIAULNFU-QMMMGPOBSA-N 0 0 297.702 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294.274 2.221 50 5 CEBARN O=[N+]([O-])c1ccccc1COc1cccc(-n2cnnn2)c1 ZINC000007813934 285160914 /nfs/dbraw/zinc/16/09/14/285160914.db2.gz BFJJYJQMKNXJKP-UHFFFAOYSA-N 0 0 297.274 2.150 50 5 CEBARN O=[N+]([O-])c1ccn(-c2ccc(C(F)(F)F)cn2)n1 ZINC000012345612 285167466 /nfs/dbraw/zinc/16/74/66/285167466.db2.gz FUOBPSZJNISDIT-UHFFFAOYSA-N 0 0 258.159 2.194 50 5 CEBARN O=[N+]([O-])c1ncccc1N1CCN(Cc2ccccc2)CC1 ZINC000095080912 285189984 /nfs/dbraw/zinc/18/99/84/285189984.db2.gz KFKMTICOASLVGZ-UHFFFAOYSA-N 0 0 298.346 2.312 50 5 CEBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1-c1ccccc1 ZINC000000476275 285209396 /nfs/dbraw/zinc/20/93/96/285209396.db2.gz MUYVFWMRDXLKLD-UHFFFAOYSA-N 0 0 267.244 2.294 50 5 CEBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1F ZINC000001428843 169704725 /nfs/dbraw/zinc/70/47/25/169704725.db2.gz VEEIDOCGXJXVEU-UHFFFAOYSA-N 0 0 296.233 2.017 50 5 CEBARN COC[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000079089856 285447355 /nfs/dbraw/zinc/44/73/55/285447355.db2.gz XXRYXWUNUHIQOH-NSHDSACASA-N 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COc1n[nH]c(C(=O)Nc2cc(F)ccc2C)c1[N+](=O)[O-] ZINC000008684376 170345355 /nfs/dbraw/zinc/34/53/55/170345355.db2.gz SQBVPYAEGLPVPN-UHFFFAOYSA-N 0 0 294.242 2.026 50 5 CEBARN O=C(N=c1[nH]c2ccccc2s1)c1ccc([N+](=O)[O-])o1 ZINC000009015785 170361462 /nfs/dbraw/zinc/36/14/62/170361462.db2.gz INEMNYHCDSBKGP-UHFFFAOYSA-N 0 0 289.272 2.472 50 5 CEBARN Cc1nn(CN2CCc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000023424131 171421618 /nfs/dbraw/zinc/42/16/18/171421618.db2.gz RCSGTTKRKXZPHC-UHFFFAOYSA-N 0 0 286.335 2.424 50 5 CEBARN CCOC(=O)[C@@H](CC)Oc1ccccc1[N+](=O)[O-] ZINC000070242785 175883827 /nfs/dbraw/zinc/88/38/27/175883827.db2.gz URCHNMFROJPJJA-SNVBAGLBSA-N 0 0 253.254 2.315 50 5 CEBARN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](c2cccc(F)c2)C1 ZINC000071856506 176278827 /nfs/dbraw/zinc/27/88/27/176278827.db2.gz OMXTZYVQKGFDIV-NSHDSACASA-N 0 0 290.298 2.461 50 5 CEBARN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cscn1 ZINC000071896356 176292037 /nfs/dbraw/zinc/29/20/37/176292037.db2.gz MKQZLYUROGUVSW-UHFFFAOYSA-N 0 0 291.332 2.332 50 5 CEBARN Cc1ccc(CCNc2ccc([N+](=O)[O-])cn2)cn1 ZINC000071902751 176294563 /nfs/dbraw/zinc/29/45/63/176294563.db2.gz XVFQNWJFVMQLPS-UHFFFAOYSA-N 0 0 258.281 2.348 50 5 CEBARN Cc1nn(C)c(N[C@H](CCO)c2cccs2)c1[N+](=O)[O-] ZINC000077236284 177236795 /nfs/dbraw/zinc/23/67/95/177236795.db2.gz MCOWISXDDIDZBY-SECBINFHSA-N 0 0 296.352 2.234 50 5 CEBARN CCC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000032804243 260145988 /nfs/dbraw/zinc/14/59/88/260145988.db2.gz KPDAFACJOAXKQW-UHFFFAOYSA-N 0 0 286.353 2.203 50 5 CEBARN CC1=CC[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000100009989 275917661 /nfs/dbraw/zinc/91/76/61/275917661.db2.gz XSFLPRLCSDPYRO-QWHCGFSZSA-N 0 0 286.287 2.441 50 5 CEBARN CC(=O)Nc1c(C(C)(C)C)ccc(N)c1[N+](=O)[O-] ZINC000005383128 277062065 /nfs/dbraw/zinc/06/20/65/277062065.db2.gz RAYQFRIGYSPPGU-UHFFFAOYSA-N 0 0 251.286 2.433 50 5 CEBARN Cc1c(-c2nn3cnnc3s2)cccc1[N+](=O)[O-] ZINC000004855772 280196532 /nfs/dbraw/zinc/19/65/32/280196532.db2.gz UGHAWXRHAZMTBR-UHFFFAOYSA-N 0 0 261.266 2.069 50 5 CEBARN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000002831440 280258215 /nfs/dbraw/zinc/25/82/15/280258215.db2.gz AXNBXIMZXOHDOX-UHFFFAOYSA-N 0 0 293.279 2.438 50 5 CEBARN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000005799442 280369578 /nfs/dbraw/zinc/36/95/78/280369578.db2.gz SQBJPDVVJGLJMQ-UHFFFAOYSA-N 0 0 298.707 2.476 50 5 CEBARN O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)s1 ZINC000253355679 280382188 /nfs/dbraw/zinc/38/21/88/280382188.db2.gz GGUPPSVKOWSVLG-RNJXMRFFSA-N 0 0 255.299 2.031 50 5 CEBARN Cc1[nH]nc2c1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000000088593 293127368 /nfs/dbraw/zinc/12/73/68/293127368.db2.gz QVIKMFNCGQXEHH-JTQLQIEISA-N 0 0 272.264 2.100 50 5 CEBARN CC[C@H]1NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000097102079 321694604 /nfs/dbraw/zinc/69/46/04/321694604.db2.gz GEIXOXWLQBDVIJ-SECBINFHSA-N 0 0 297.698 2.079 50 5 CEBARN O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccccc1F ZINC000001423386 326794553 /nfs/dbraw/zinc/79/45/53/326794553.db2.gz BHSJDNVXPBSFKM-UHFFFAOYSA-N 0 0 292.270 2.349 50 5 CEBARN Cc1cnc(OCc2nnsc2Cl)c([N+](=O)[O-])c1 ZINC000096451062 534599070 /nfs/dbraw/zinc/59/90/70/534599070.db2.gz YFBUFIKYRUBYNY-UHFFFAOYSA-N 0 0 286.700 2.382 50 5 CEBARN CC1(NC(=O)Nc2ccncc2[N+](=O)[O-])CCC1 ZINC000096500694 528027982 /nfs/dbraw/zinc/02/79/82/528027982.db2.gz LNNSKPDKLUIZFA-UHFFFAOYSA-N 0 0 250.258 2.054 50 5 CEBARN CC(C)c1nnc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000095965220 185045773 /nfs/dbraw/zinc/04/57/73/185045773.db2.gz ZBFWVGDYUULNIE-UHFFFAOYSA-N 0 0 293.258 2.228 50 5 CEBARN O=[N+]([O-])c1cnn(C[C@H](O)c2cccc(Cl)c2)c1 ZINC000095974750 185049732 /nfs/dbraw/zinc/04/97/32/185049732.db2.gz WBRURXDKVAMRHJ-NSHDSACASA-N 0 0 267.672 2.178 50 5 CEBARN Cc1nc(N(C)[C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000095990631 185057777 /nfs/dbraw/zinc/05/77/77/185057777.db2.gz PVZFOKBHIXVDKV-JTQLQIEISA-N 0 0 275.312 2.229 50 5 CEBARN CCC[C@](C)(CO)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000095997278 185060932 /nfs/dbraw/zinc/06/09/32/185060932.db2.gz HIDQWIUJNYBMDG-OAHLLOKOSA-N 0 0 294.351 2.438 50 5 CEBARN Cc1cccn(CCOc2ccccc2[N+](=O)[O-])c1=O ZINC000096007392 185063356 /nfs/dbraw/zinc/06/33/56/185063356.db2.gz UMJSXAAHJNJFSM-UHFFFAOYSA-N 0 0 274.276 2.144 50 5 CEBARN O=[N+]([O-])C(=CNCc1ccccc1)c1cc(O)ccc1O ZINC000000333865 343350443 /nfs/dbraw/zinc/35/04/43/343350443.db2.gz NPSRMRWMLLJDIC-GXDHUFHOSA-N 0 0 286.287 2.463 50 5 CEBARN CC(C)Oc1cccc(Cn2cnc([N+](=O)[O-])n2)c1 ZINC000048367990 362260544 /nfs/dbraw/zinc/26/05/44/362260544.db2.gz HBDSAUCJMJOMTM-UHFFFAOYSA-N 0 0 262.269 2.022 50 5 CEBARN Nc1nc(NCc2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000048544119 362282978 /nfs/dbraw/zinc/28/29/78/362282978.db2.gz QZUMSHKUDSDSEQ-UHFFFAOYSA-N 0 0 279.687 2.233 50 5 CEBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cccnc3)CC2)cc1 ZINC000054866756 362540641 /nfs/dbraw/zinc/54/06/41/362540641.db2.gz QYLRIGGAIGQGIJ-UHFFFAOYSA-N 0 0 298.346 2.312 50 5 CEBARN CCOC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000089064974 179696202 /nfs/dbraw/zinc/69/62/02/179696202.db2.gz JRIGUJXGRHFDTK-UHFFFAOYSA-N 0 0 261.180 2.130 50 5 CEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCF ZINC000123097363 187070938 /nfs/dbraw/zinc/07/09/38/187070938.db2.gz YWGQWACFYXYKBH-UHFFFAOYSA-N 0 0 271.248 2.085 50 5 CEBARN O=[N+]([O-])c1ccc(N2CCC(n3cncn3)CC2)cc1 ZINC000071899514 363117748 /nfs/dbraw/zinc/11/77/48/363117748.db2.gz UPGSOMFOQZVNNZ-UHFFFAOYSA-N 0 0 273.296 2.028 50 5 CEBARN Cc1cc(NCCn2cnnc2C(C)C)ncc1[N+](=O)[O-] ZINC000080229896 363648670 /nfs/dbraw/zinc/64/86/70/363648670.db2.gz ULUSIWOBFSCPJB-UHFFFAOYSA-N 0 0 290.327 2.125 50 5 CEBARN CNC(=O)c1cc2c(ccc3ccccc32)oc1=N ZINC000004340080 283465088 /nfs/dbraw/zinc/46/50/88/283465088.db2.gz SDOUDFKAAAXAAO-UHFFFAOYSA-N 0 0 252.273 2.425 50 5 aggregator CEBARN Cc1c(C(=O)n2nnc3ccccc32)cccc1[N+](=O)[O-] ZINC000000171603 361140165 /nfs/dbraw/zinc/14/01/65/361140165.db2.gz HTVVCBPTBOFQGP-UHFFFAOYSA-N 0 0 282.259 2.336 50 5 CEBARN CSc1nccn1C(=O)c1ccccc1[N+](=O)[O-] ZINC000000072079 361123825 /nfs/dbraw/zinc/12/38/25/361123825.db2.gz CQAPYACLBNEAAL-UHFFFAOYSA-N 0 0 263.278 2.202 50 5 CEBARN CCC(CC)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000457197 361177306 /nfs/dbraw/zinc/17/73/06/361177306.db2.gz MRGMNBFSKOGDKU-UHFFFAOYSA-N 0 0 272.326 2.062 50 5 CEBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccncc1 ZINC000000465671 361177789 /nfs/dbraw/zinc/17/77/89/361177789.db2.gz LQSCLXJPMGDDGZ-AATRIKPKSA-N 0 0 283.287 2.319 50 5 CEBARN Cc1ccc(NC(=O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000000474759 361179452 /nfs/dbraw/zinc/17/94/52/361179452.db2.gz UPFPUBPSJQCXFH-LLVKDONJSA-N 0 0 250.254 2.021 50 5 CEBARN C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cc([N+](=O)[O-])cn1 ZINC000001421984 361205328 /nfs/dbraw/zinc/20/53/28/361205328.db2.gz RCDORMIBWFKNCS-ZETCQYMHSA-N 0 0 295.686 2.039 50 5 CEBARN O=[N+]([O-])c1ncn(Cc2cccc(C(F)(F)F)c2)n1 ZINC000000614348 361189696 /nfs/dbraw/zinc/18/96/96/361189696.db2.gz HBFNQIGVECINRP-UHFFFAOYSA-N 0 0 272.186 2.253 50 5 CEBARN COCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002766020 361249017 /nfs/dbraw/zinc/24/90/17/361249017.db2.gz MRVFIWBRQVPUIQ-UHFFFAOYSA-N 0 0 272.688 2.015 50 5 CEBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1-2 ZINC000001599264 361210674 /nfs/dbraw/zinc/21/06/74/361210674.db2.gz YPRJLDUOGDQQAK-UHFFFAOYSA-N 0 0 261.258 2.408 50 5 CEBARN O=[N+]([O-])c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000002168616 361229285 /nfs/dbraw/zinc/22/92/85/361229285.db2.gz KYUUZCUXYXNPFO-UHFFFAOYSA-N 0 0 252.104 2.402 50 5 CEBARN O=[N+]([O-])c1cc(F)ccc1I ZINC000002526231 361237720 /nfs/dbraw/zinc/23/77/20/361237720.db2.gz ANPFMDLUEWNKIM-UHFFFAOYSA-N 0 0 266.997 2.339 50 5 CEBARN Cc1[nH]nc(SCC(=O)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000003909513 361294326 /nfs/dbraw/zinc/29/43/26/361294326.db2.gz BTPBJKVBNBWNLA-MRVPVSSYSA-N 0 0 298.368 2.119 50 5 CEBARN CCOCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002821290 361253976 /nfs/dbraw/zinc/25/39/76/361253976.db2.gz ICASSOBVKOFPNY-BQYQJAHWSA-N 0 0 278.308 2.151 50 5 CEBARN Cc1ccc(F)cc1Nc1ncnc(N)c1[N+](=O)[O-] ZINC000003912586 361294906 /nfs/dbraw/zinc/29/49/06/361294906.db2.gz DSCYTYWZBFIADC-UHFFFAOYSA-N 0 0 263.232 2.158 50 5 CEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])o1 ZINC000004015303 361297048 /nfs/dbraw/zinc/29/70/48/361297048.db2.gz DYIADNLKPBUEDT-UHFFFAOYSA-N 0 0 277.192 2.348 50 5 CEBARN COc1ccc(NC(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000003958665 361295350 /nfs/dbraw/zinc/29/53/50/361295350.db2.gz YVSLGWKHGUBBCV-UHFFFAOYSA-N 0 0 262.221 2.449 50 5 CEBARN CC(C)(C)C(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000003219492 361268077 /nfs/dbraw/zinc/26/80/77/361268077.db2.gz FIXCBIPAIQLGHQ-UHFFFAOYSA-N 0 0 295.291 2.132 50 5 CEBARN O=C(CSc1ncccn1)Nc1cccc([N+](=O)[O-])c1 ZINC000003234884 361269435 /nfs/dbraw/zinc/26/94/35/361269435.db2.gz MUOWYCIYGXGTEK-UHFFFAOYSA-N 0 0 290.304 2.116 50 5 CEBARN CC1(C)C[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004093736 361300456 /nfs/dbraw/zinc/30/04/56/361300456.db2.gz MBGZTKSUFLIELQ-SECBINFHSA-N 0 0 292.291 2.265 50 5 CEBARN CCCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000004127803 361301269 /nfs/dbraw/zinc/30/12/69/361301269.db2.gz KLCVDLZJMKAAGB-UHFFFAOYSA-N 0 0 283.240 2.250 50 5 CEBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000004244903 361307565 /nfs/dbraw/zinc/30/75/65/361307565.db2.gz UNDXPKDBFOOQFC-UHFFFAOYSA-N 0 0 276.214 2.450 50 5 CEBARN CCCSc1cc(NCCO)c([N+](=O)[O-])c2nonc21 ZINC000004672865 361325599 /nfs/dbraw/zinc/32/55/99/361325599.db2.gz HSJDIUNNNQWUDW-UHFFFAOYSA-N 0 0 298.324 2.037 50 5 CEBARN Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016383100 283658678 /nfs/dbraw/zinc/65/86/78/283658678.db2.gz ZPSOJOFPFHVPBV-UHFFFAOYSA-N 0 0 266.257 2.076 50 5 CEBARN O=C(Nn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000012576058 361391684 /nfs/dbraw/zinc/39/16/84/361391684.db2.gz GEYIMHPBYYVVHT-UHFFFAOYSA-N 0 0 282.259 2.328 50 5 CEBARN Nc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000017357175 361509712 /nfs/dbraw/zinc/50/97/12/361509712.db2.gz HBNDUTOBRVWYGD-UHFFFAOYSA-N 0 0 263.297 2.240 50 5 CEBARN CCOc1ncccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000027587792 361656221 /nfs/dbraw/zinc/65/62/21/361656221.db2.gz HVZYMIVBOWMHQL-UHFFFAOYSA-N 0 0 277.236 2.234 50 5 CEBARN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000027854992 361660220 /nfs/dbraw/zinc/66/02/20/361660220.db2.gz NQNIWPBNMSQIFK-GWCFXTLKSA-N 0 0 278.308 2.201 50 5 CEBARN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000084425349 363809927 /nfs/dbraw/zinc/80/99/27/363809927.db2.gz VOVSXZYZBDAEMB-UHFFFAOYSA-N 0 0 257.249 2.492 50 5 CEBARN Nc1nc(N2CCC[C@@H]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000084525721 363813451 /nfs/dbraw/zinc/81/34/51/363813451.db2.gz PYCXHPVXTUYDPN-GFCCVEGCSA-N 0 0 299.334 2.179 50 5 CEBARN Cc1nc(N(C)C2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000089536938 363978062 /nfs/dbraw/zinc/97/80/62/363978062.db2.gz PNWHZCBJOFETSD-UHFFFAOYSA-N 0 0 279.340 2.286 50 5 CEBARN O=Cc1ccc([N+](=O)[O-])cc1N1CCC(F)(F)C1 ZINC000095080963 364335303 /nfs/dbraw/zinc/33/53/03/364335303.db2.gz CKBXHCIZQSSIPB-UHFFFAOYSA-N 0 0 256.208 2.253 50 5 CEBARN O=C1NCc2cccc(NCCc3ccc([N+](=O)[O-])cc3)c21 ZINC000097113994 364456495 /nfs/dbraw/zinc/45/64/95/364456495.db2.gz VJOBPCYFXVNCEY-UHFFFAOYSA-N 0 0 297.314 2.493 50 5 CEBARN CO[C@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097142418 364463215 /nfs/dbraw/zinc/46/32/15/364463215.db2.gz NJRGWOPJAKZRBS-SECBINFHSA-N 0 0 289.291 2.425 50 5 CEBARN O=[N+]([O-])c1ccc(Sc2ncccc2[N+](=O)[O-])nc1 ZINC000098086821 364530264 /nfs/dbraw/zinc/53/02/64/364530264.db2.gz IXXUAYNJHNZMJT-UHFFFAOYSA-N 0 0 278.249 2.444 50 5 CEBARN CC1(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000159894910 366958233 /nfs/dbraw/zinc/95/82/33/366958233.db2.gz OBZZKCXAKUWEBQ-UHFFFAOYSA-N 0 0 277.324 2.379 50 5 CEBARN Cc1ccc([N+](=O)[O-])c(OCCC2OCCO2)c1 ZINC000163543090 367247968 /nfs/dbraw/zinc/24/79/68/367247968.db2.gz OKIXHLCTCHYPBF-UHFFFAOYSA-N 0 0 253.254 2.045 50 5 CEBARN Cc1cc([N+](=O)[O-])nn1C[C@H](O)C1CCCCC1 ZINC000191379022 369707054 /nfs/dbraw/zinc/70/70/54/369707054.db2.gz QQMRJKSXHSFEGZ-NSHDSACASA-N 0 0 253.302 2.041 50 5 CEBARN CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000194043455 370001323 /nfs/dbraw/zinc/00/13/23/370001323.db2.gz QGUHJJFEJCPXEC-UHFFFAOYSA-N 0 0 269.276 2.014 50 5 CEBARN Cc1cccc(N2CC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000225460110 370296688 /nfs/dbraw/zinc/29/66/88/370296688.db2.gz RVFZUZQLGAWZKU-ZDUSSCGKSA-N 0 0 250.298 2.112 50 5 CEBARN C[S@@](=O)C1(CNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000253432960 371522882 /nfs/dbraw/zinc/52/28/82/371522882.db2.gz QEEJQYFBSQWYCH-LJQANCHMSA-N 0 0 286.328 2.447 50 5 CEBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000005090793 284317063 /nfs/dbraw/zinc/31/70/63/284317063.db2.gz XSKQXBPPWRNBKY-UHFFFAOYSA-N 0 0 261.212 2.381 50 5 CEBARN CCOC(=O)COc1nc(CC(C)C)ccc1[N+](=O)[O-] ZINC000248319325 189946289 /nfs/dbraw/zinc/94/62/89/189946289.db2.gz QALXVHRLYODRDG-UHFFFAOYSA-N 0 0 282.296 2.130 50 5 CEBARN O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000000038973 169513993 /nfs/dbraw/zinc/51/39/93/169513993.db2.gz SJKVNWXSVBJHHH-UHFFFAOYSA-N 0 0 260.249 2.160 50 5 CEBARN O=[N+]([O-])c1ccc(NC(=S)Nc2cnccn2)cc1 ZINC000005041393 285134193 /nfs/dbraw/zinc/13/41/93/285134193.db2.gz RWVCAVLDEOUZQT-UHFFFAOYSA-N 0 0 275.293 2.194 50 5 CEBARN CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000095218042 184947400 /nfs/dbraw/zinc/94/74/00/184947400.db2.gz IRRXRYZVBOHGKP-UHFFFAOYSA-N 0 0 294.126 2.151 50 5 CEBARN Cc1ncc([N+](=O)[O-])n1Cc1nnc(-c2cccs2)o1 ZINC000095438560 184985261 /nfs/dbraw/zinc/98/52/61/184985261.db2.gz NDEYLCJTRSFXOF-UHFFFAOYSA-N 0 0 291.292 2.260 50 5 CEBARN Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003874102 394454366 /nfs/dbraw/zinc/45/43/66/394454366.db2.gz VACNDKUQVLNNLD-UHFFFAOYSA-N 0 0 251.120 2.104 50 5 CEBARN O=[N+]([O-])c1ccccc1N1CCN[C@@H](C(F)(F)F)CC1 ZINC000071911551 296515023 /nfs/dbraw/zinc/51/50/23/296515023.db2.gz BQIHVVPVAMPIEC-LLVKDONJSA-N 0 0 289.257 2.325 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CCOc1cc(S[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000092658973 364094839 /nfs/dbraw/zinc/09/48/39/364094839.db2.gz VCLWMHMUGDKVHM-QMMMGPOBSA-N 0 0 257.311 2.466 50 5 CEBARN Cc1cc(C(=O)Oc2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000095438580 364378683 /nfs/dbraw/zinc/37/86/83/364378683.db2.gz HUELDZFQHRVWRN-UHFFFAOYSA-N 0 0 275.264 2.164 50 5 CEBARN O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000097048003 364433494 /nfs/dbraw/zinc/43/34/94/364433494.db2.gz ATYBZRNBVQOYSE-ZDUSSCGKSA-N 0 0 286.291 2.159 50 5 CEBARN C[C@@H]1CCN(c2ncnc(N3CC[C@@H](C)C3)c2[N+](=O)[O-])C1 ZINC000585093032 367177623 /nfs/dbraw/zinc/17/76/23/367177623.db2.gz YXFDRPMSLQNCKF-GHMZBOCLSA-N 0 0 291.355 2.077 50 5 CEBARN O=Cc1cc([N+](=O)[O-])ccc1N1CCC(F)(F)C1 ZINC000169725214 367371029 /nfs/dbraw/zinc/37/10/29/367371029.db2.gz GBJQVQQEKBRUEA-UHFFFAOYSA-N 0 0 256.208 2.253 50 5 CEBARN Cc1c(CSc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000177375630 368266787 /nfs/dbraw/zinc/26/67/87/368266787.db2.gz YMHDZPVKIRZOGN-UHFFFAOYSA-N 0 0 250.283 2.314 50 5 CEBARN COc1cccc(NCC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000228862510 370414195 /nfs/dbraw/zinc/41/41/95/370414195.db2.gz AZTXVHIFBWNIEO-SNVBAGLBSA-N 0 0 266.297 2.442 50 5 CEBARN O=C([C@H]1CC1[N+](=O)[O-])n1ccccc1=NC1CCCCC1 ZINC000252457200 371439546 /nfs/dbraw/zinc/43/95/46/371439546.db2.gz MHTNSKLSOJEQAE-QWHCGFSZSA-N 0 0 289.335 2.027 50 5 CEBARN CCOC(=O)[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000280749516 375307090 /nfs/dbraw/zinc/30/70/90/375307090.db2.gz MCRUBQOHHRCWBX-ZJUUUORDSA-N 0 0 279.296 2.134 50 5 CEBARN CC(=O)c1ccc(NC[C@H]2CC(C)=NO2)c([N+](=O)[O-])c1 ZINC000408523752 375509102 /nfs/dbraw/zinc/50/91/02/375509102.db2.gz VDCOADCVQIVTPR-LLVKDONJSA-N 0 0 277.280 2.374 50 5 CEBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccccc1 ZINC000000360750 169616891 /nfs/dbraw/zinc/61/68/91/169616891.db2.gz FCSXQJVOZOHLIB-UHFFFAOYSA-N 0 0 297.270 2.260 50 5 CEBARN O=C1N[C@H]([C@H]2CC=CCC2)Nc2ccc([N+](=O)[O-])cc21 ZINC000004299819 296394163 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