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](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001599901016 984825354 /nfs/dbraw/zinc/82/53/54/984825354.db2.gz HGGHYCZIRFJLOQ-BONVTDFDSA-N -1 1 318.304 3.210 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001161045349 1089090463 /nfs/dbraw/zinc/09/04/63/1089090463.db2.gz BPBCQZRVRMPEHY-STQMWFEESA-N -1 1 316.288 3.182 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ncccc2Br)ccc1[O-] ZINC001210392982 1093151781 /nfs/dbraw/zinc/15/17/81/1093151781.db2.gz RFZVKBCRJFBQRF-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=c1[nH]cc(-c2ccncc2)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394357 1093151491 /nfs/dbraw/zinc/15/14/91/1093151491.db2.gz VJKRFWAPGRXSSC-UHFFFAOYSA-N -1 1 324.296 3.207 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2c(Cl)cncc2Cl)ccc1[O-] ZINC001210392848 1093152424 /nfs/dbraw/zinc/15/24/24/1093152424.db2.gz OENQONQCGCUBGL-UHFFFAOYSA-N -1 1 300.101 3.168 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnccc2OC(F)(F)F)ccc1[O-] ZINC001210396172 1093153363 /nfs/dbraw/zinc/15/33/63/1093153363.db2.gz LQEODWJYSAMWNB-UHFFFAOYSA-N -1 1 315.207 3.338 20 5 DGBDMM O=c1[n-]c(-c2cc([N+](=O)[O-])ccn2)nc2cc3ccccc3cc21 ZINC001116838048 1095676901 /nfs/dbraw/zinc/67/69/01/1095676901.db2.gz SBXIFZYCIUUOON-UHFFFAOYSA-N -1 1 318.292 3.459 20 5 DGBDMM O=c1cc[n-]c(O[C@H]2CCCc3c(Cl)ccnc32)c1[N+](=O)[O-] ZINC001225664316 1096498161 /nfs/dbraw/zinc/49/81/61/1096498161.db2.gz NAGHWCOSGQNMNN-NSHDSACASA-N -1 1 321.720 3.200 20 5 DGBDMM Cc1nc(=O)[n-]c(O[C@@H](C)c2ccccc2[N+](=O)[O-])c1Cl ZINC001227111808 1096871049 /nfs/dbraw/zinc/87/10/49/1096871049.db2.gz QUZBLRVNFXYPRQ-QMMMGPOBSA-N -1 1 309.709 3.192 20 5 DGBDMM Cc1nc(=O)[n-]c(O[C@H](C)c2ccccc2[N+](=O)[O-])c1Cl ZINC001227111806 1096871094 /nfs/dbraw/zinc/87/10/94/1096871094.db2.gz QUZBLRVNFXYPRQ-MRVPVSSYSA-N -1 1 309.709 3.192 20 5 DGBDMM Cc1nc(=O)[n-]c(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001227111804 1096871159 /nfs/dbraw/zinc/87/11/59/1096871159.db2.gz QUGMFWNPCYZRPR-MRVPVSSYSA-N -1 1 309.709 3.192 20 5 DGBDMM O=c1c2cc(O[C@@H]3C=CCC3)c([O-])cc2oc2cccc(O)c12 ZINC001227310750 1096914609 /nfs/dbraw/zinc/91/46/09/1096914609.db2.gz XKPWZWJCTHENIH-SNVBAGLBSA-N -1 1 310.305 3.455 20 5 DGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228862921 1097206617 /nfs/dbraw/zinc/20/66/17/1097206617.db2.gz QFZSASUYDIOCHV-GSVOUGTGSA-N -1 1 320.145 3.044 20 5 DGBDMM CC(C)C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)C ZINC001229397709 1097312841 /nfs/dbraw/zinc/31/28/41/1097312841.db2.gz KKQMTMHFKWRKIU-AWEZNQCLSA-N -1 1 311.334 3.046 20 5 DGBDMM CCOC[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518701 1097338164 /nfs/dbraw/zinc/33/81/64/1097338164.db2.gz VBSNALICVKLRAH-NSHDSACASA-N -1 1 314.337 3.456 20 5 DGBDMM O=C1CCCC[C@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505864 1098355976 /nfs/dbraw/zinc/35/59/76/1098355976.db2.gz IOKMXXJPZGLLBO-GFCCVEGCSA-N -1 1 309.709 3.015 20 5 DGBDMM O=C([O-])c1cc(Nc2ccc(F)c(F)c2O)cc([N+](=O)[O-])c1 ZINC001176680127 1098406142 /nfs/dbraw/zinc/40/61/42/1098406142.db2.gz QLDQXMCOKURIGS-UHFFFAOYSA-N -1 1 310.212 3.020 20 5 DGBDMM O=[N+]([O-])c1cccc(-c2nc3c([nH]2)c(F)c(F)cc3F)c1[O-] ZINC001251271383 1105646067 /nfs/dbraw/zinc/64/60/67/1105646067.db2.gz CWYITOKAEVXMGJ-UHFFFAOYSA-N -1 1 309.203 3.261 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000278695464 214332016 /nfs/dbraw/zinc/33/20/16/214332016.db2.gz JEVRTXIXVYUHPW-UHFFFAOYSA-N -1 1 307.281 3.153 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000135607079 284484557 /nfs/dbraw/zinc/48/45/57/284484557.db2.gz YCFKTSWKXYZFMT-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000007323207 400102240 /nfs/dbraw/zinc/10/22/40/400102240.db2.gz HMVJHNOUSRSZTC-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCO[C@@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000092040718 400150539 /nfs/dbraw/zinc/15/05/39/400150539.db2.gz MPXAGXAAAJBULM-HZPDHXFCSA-N -1 1 320.389 3.080 20 5 DGBDMM CC[C@H](C)n1nc([N-]c2c(Cl)cncc2[N+](=O)[O-])cc1C ZINC000596185455 400343844 /nfs/dbraw/zinc/34/38/44/400343844.db2.gz LVFDLBSRONCWFY-QMMMGPOBSA-N -1 1 309.757 3.285 20 5 DGBDMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032586200 400369902 /nfs/dbraw/zinc/36/99/02/400369902.db2.gz FUOQRBNSNAMDKB-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)[n-]1 ZINC000596617154 400459089 /nfs/dbraw/zinc/45/90/89/400459089.db2.gz CHVVJDGBXDSLAZ-RYUDHWBXSA-N -1 1 310.313 3.319 20 5 DGBDMM Cc1ccc([O-])c(C(=O)c2cnn(-c3cccc([N+](=O)[O-])c3)c2)c1 ZINC000603913748 400732053 /nfs/dbraw/zinc/73/20/53/400732053.db2.gz DNEOJKHUFTZMRA-UHFFFAOYSA-N -1 1 323.308 3.026 20 5 DGBDMM CC(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2o1 ZINC000604095041 400749262 /nfs/dbraw/zinc/74/92/62/400749262.db2.gz BUJAFEQTKGBHRI-UHFFFAOYSA-N -1 1 314.301 3.440 20 5 DGBDMM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000346955227 264126522 /nfs/dbraw/zinc/12/65/22/264126522.db2.gz OASNLZNXATZFHW-SNVBAGLBSA-N -1 1 303.318 3.353 20 5 DGBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032586617 431785841 /nfs/dbraw/zinc/78/58/41/431785841.db2.gz YRISVZFXTOLIQK-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000174988029 432386543 /nfs/dbraw/zinc/38/65/43/432386543.db2.gz WBSXLWYLCMDYIM-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc4cccnc43)no2)[n-]1 ZINC000349880119 433029270 /nfs/dbraw/zinc/02/92/70/433029270.db2.gz OOKCIGATHOXGCN-UHFFFAOYSA-N -1 1 321.296 3.112 20 5 DGBDMM CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000299159400 433333498 /nfs/dbraw/zinc/33/34/98/433333498.db2.gz SLMMCSSOQSVKEB-UHFFFAOYSA-N -1 1 303.318 3.272 20 5 DGBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1[O-] ZINC000436516084 433988902 /nfs/dbraw/zinc/98/89/02/433988902.db2.gz UPFDFRJTQWHYQI-UHFFFAOYSA-N -1 1 322.320 3.384 20 5 DGBDMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC000436782897 434108277 /nfs/dbraw/zinc/10/82/77/434108277.db2.gz ZSCXHLFPGYQPQN-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000315578233 434169224 /nfs/dbraw/zinc/16/92/24/434169224.db2.gz MHGLMJYBEXONKL-AWEZNQCLSA-N -1 1 320.732 3.164 20 5 DGBDMM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000346233167 434220362 /nfs/dbraw/zinc/22/03/62/434220362.db2.gz HLTVZIZKDLCODH-UHFFFAOYSA-N -1 1 317.349 3.336 20 5 DGBDMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000348787712 434492434 /nfs/dbraw/zinc/49/24/34/434492434.db2.gz QDPZKDGVXUJWQY-SNVBAGLBSA-N -1 1 303.318 3.353 20 5 DGBDMM CCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000294474893 528312690 /nfs/dbraw/zinc/31/26/90/528312690.db2.gz PYHVVMLXHAFZST-UHFFFAOYSA-N -1 1 321.377 3.270 20 5 DGBDMM CCCc1cc(=O)[n-]c(SCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000915790929 620597856 /nfs/dbraw/zinc/59/78/56/620597856.db2.gz RGILORHHIYWNMR-UHFFFAOYSA-N -1 1 323.349 3.474 20 5 DGBDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000773567637 623047825 /nfs/dbraw/zinc/04/78/25/623047825.db2.gz MANSOWODDBRDJM-SECBINFHSA-N -1 1 305.261 3.358 20 5 DGBDMM CSc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780076570 623858497 /nfs/dbraw/zinc/85/84/97/623858497.db2.gz RMRJHYKYWWAALI-UHFFFAOYSA-N -1 1 319.338 3.379 20 5 DGBDMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000820147867 628229335 /nfs/dbraw/zinc/22/93/35/628229335.db2.gz JGFPGXNBXMFRTR-LLVKDONJSA-N -1 1 300.314 3.144 20 5 DGBDMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000820147868 628229504 /nfs/dbraw/zinc/22/95/04/628229504.db2.gz JGFPGXNBXMFRTR-NSHDSACASA-N -1 1 300.314 3.144 20 5 DGBDMM Cc1ccccc1[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822345706 628443048 /nfs/dbraw/zinc/44/30/48/628443048.db2.gz PRHWRCQGVOUQPL-NSHDSACASA-N -1 1 324.344 3.256 20 5 DGBDMM CCCc1nnc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])s1 ZINC000843772265 630699280 /nfs/dbraw/zinc/69/92/80/630699280.db2.gz RWMFJBXMTVPFCA-UHFFFAOYSA-N -1 1 324.337 3.099 20 5 DGBDMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263423740 658228921 /nfs/dbraw/zinc/22/89/21/658228921.db2.gz PTOUPFASLUBPRP-JTQLQIEISA-N -1 1 320.370 3.228 20 5 DGBDMM COc1csc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000175495915 659922539 /nfs/dbraw/zinc/92/25/39/659922539.db2.gz PYOITWKABSQVHN-UHFFFAOYSA-N -1 1 314.269 3.195 20 5 DGBDMM CC(C)CCCSc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589598590 1192469850 /nfs/dbraw/zinc/46/98/50/1192469850.db2.gz WFTNUNDDLZXCKC-UHFFFAOYSA-N -1 1 313.408 3.365 20 5 DGBDMM CC(C)CCCSc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589598590 1192469852 /nfs/dbraw/zinc/46/98/52/1192469852.db2.gz WFTNUNDDLZXCKC-UHFFFAOYSA-N -1 1 313.408 3.365 20 5 DGBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1 ZINC001589982897 1192480742 /nfs/dbraw/zinc/48/07/42/1192480742.db2.gz YXMDJGNHTNZWQB-QMMMGPOBSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1 ZINC001589982897 1192480745 /nfs/dbraw/zinc/48/07/45/1192480745.db2.gz YXMDJGNHTNZWQB-QMMMGPOBSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001603683487 1193025967 /nfs/dbraw/zinc/02/59/67/1193025967.db2.gz KXCXUJBBZBCEPX-QMMMGPOBSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001603683487 1193025970 /nfs/dbraw/zinc/02/59/70/1193025970.db2.gz KXCXUJBBZBCEPX-QMMMGPOBSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cncc(C(=O)[O-])c1 ZINC001604321152 1193064595 /nfs/dbraw/zinc/06/45/95/1193064595.db2.gz BULYAWFNNHYMOI-WDEREUQCSA-N -1 1 315.329 3.100 20 5 DGBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC001604340654 1193066720 /nfs/dbraw/zinc/06/67/20/1193066720.db2.gz DFWOSOYTXZVORQ-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM O=C(Nc1cnc2c(ccc(F)c2F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001455481211 1182372221 /nfs/dbraw/zinc/37/22/21/1182372221.db2.gz QCQXDFQKTFSOML-UHFFFAOYSA-N -1 1 318.239 3.002 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Sc1ccccc1F ZINC001607088206 1193211476 /nfs/dbraw/zinc/21/14/76/1193211476.db2.gz HIDSVIUSRXVUOG-UHFFFAOYSA-N -1 1 323.334 3.127 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Sc1ccccc1F ZINC001607088206 1193211480 /nfs/dbraw/zinc/21/14/80/1193211480.db2.gz HIDSVIUSRXVUOG-UHFFFAOYSA-N -1 1 323.334 3.127 20 5 DGBDMM CC(=O)c1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1[O-] ZINC001468601616 1183346399 /nfs/dbraw/zinc/34/63/99/1183346399.db2.gz OABDYMLNNNLRFU-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(F)c1[O-] ZINC001471167066 1183542324 /nfs/dbraw/zinc/54/23/24/1183542324.db2.gz XWKHMVNZMSKQRE-UHFFFAOYSA-N -1 1 304.277 3.011 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1coc2c1C(=O)CCC2 ZINC001521913269 1187056900 /nfs/dbraw/zinc/05/69/00/1187056900.db2.gz YQCALFHYNQPKBK-UHFFFAOYSA-N -1 1 318.260 3.098 20 5 DGBDMM Cc1cc(C)c(OC(=O)c2cccc(F)c2[O-])c([N+](=O)[O-])c1 ZINC001524752156 1187265920 /nfs/dbraw/zinc/26/59/20/1187265920.db2.gz ZQTMEQCWQJGAJB-UHFFFAOYSA-N -1 1 305.261 3.276 20 5 DGBDMM CCc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC001629318499 1194226125 /nfs/dbraw/zinc/22/61/25/1194226125.db2.gz GHHOCULTWGEBFA-UHFFFAOYSA-N -1 1 322.267 3.393 20 5 DGBDMM CC(C)Sc1ccccc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001630543523 1194290994 /nfs/dbraw/zinc/29/09/94/1194290994.db2.gz OCGDSGDPKUWWRP-UHFFFAOYSA-N -1 1 306.347 3.071 20 5 DGBDMM O=C(Nc1cnccc1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC001633995566 1194469041 /nfs/dbraw/zinc/46/90/41/1194469041.db2.gz KUSHYBHNLDJWGB-UHFFFAOYSA-N -1 1 308.297 3.237 20 5 DGBDMM O=[N+]([O-])c1ccc([N-]c2cnn(C3CCC3)c2)c([N+](=O)[O-])c1 ZINC001643238125 1195007164 /nfs/dbraw/zinc/00/71/64/1195007164.db2.gz XJSPZNCNCKHOSV-UHFFFAOYSA-N -1 1 303.278 3.168 20 5 DGBDMM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC001594206746 959277766 /nfs/dbraw/zinc/27/77/66/959277766.db2.gz YDYXIHMQGHHQON-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM CC(C)(NCc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001588795061 961377385 /nfs/dbraw/zinc/37/73/85/961377385.db2.gz KKOHSGXHWLBINW-UHFFFAOYSA-N -1 1 314.341 3.318 20 5 DGBDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001599901017 984825495 /nfs/dbraw/zinc/82/54/95/984825495.db2.gz HGGHYCZIRFJLOQ-ZUZCIYMTSA-N -1 1 318.304 3.210 20 5 DGBDMM Cc1nocc1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001130356760 1082571485 /nfs/dbraw/zinc/57/14/85/1082571485.db2.gz BIEHAZRKWVHEAU-UHFFFAOYSA-N -1 1 315.207 3.162 20 5 DGBDMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC001154712724 1088725307 /nfs/dbraw/zinc/72/53/07/1088725307.db2.gz GCNZRBKVGSDSPI-MRVPVSSYSA-N -1 1 322.267 3.070 20 5 DGBDMM COc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c([O-])c1 ZINC001138281421 1091130809 /nfs/dbraw/zinc/13/08/09/1091130809.db2.gz KIKPLJZQJDWRSI-UHFFFAOYSA-N -1 1 316.313 3.178 20 5 DGBDMM CC(C)c1nc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn2n1 ZINC001210395533 1093152180 /nfs/dbraw/zinc/15/21/80/1093152180.db2.gz ZBEKCTRMYBNJFY-UHFFFAOYSA-N -1 1 313.317 3.210 20 5 DGBDMM CC(C)c1cc2ncc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn2n1 ZINC001210395943 1093153322 /nfs/dbraw/zinc/15/33/22/1093153322.db2.gz KJADKRBRVDEBFI-UHFFFAOYSA-N -1 1 313.317 3.210 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001211290837 1093445921 /nfs/dbraw/zinc/44/59/21/1093445921.db2.gz NVJRJYXDIZTIDB-UHFFFAOYSA-N -1 1 315.329 3.054 20 5 DGBDMM O=c1cc[n-]c(O[C@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001225665471 1096499389 /nfs/dbraw/zinc/49/93/89/1096499389.db2.gz AIEGNSQFHIDVJO-MRXNPFEDSA-N -1 1 323.308 3.259 20 5 DGBDMM O=[N+]([O-])c1c([O-])ccnc1O[C@H](c1ccccc1)c1ccccn1 ZINC001225665471 1096499394 /nfs/dbraw/zinc/49/93/94/1096499394.db2.gz AIEGNSQFHIDVJO-MRXNPFEDSA-N -1 1 323.308 3.259 20 5 DGBDMM O=c1cc[n-]c(O[C@H]2CCc3c2cc(F)cc3F)c1[N+](=O)[O-] ZINC001225664537 1096499416 /nfs/dbraw/zinc/49/94/16/1096499416.db2.gz QJZULMARFRXQHE-LBPRGKRZSA-N -1 1 308.240 3.040 20 5 DGBDMM Cc1nc(=O)[n-]c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001227111805 1096870905 /nfs/dbraw/zinc/87/09/05/1096870905.db2.gz QUGMFWNPCYZRPR-QMMMGPOBSA-N -1 1 309.709 3.192 20 5 DGBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001228144907 1097061241 /nfs/dbraw/zinc/06/12/41/1097061241.db2.gz XLKHZWRCFIHLAX-SNVBAGLBSA-N -1 1 311.297 3.384 20 5 DGBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cc2ccccc2s1 ZINC001228144193 1097061810 /nfs/dbraw/zinc/06/18/10/1097061810.db2.gz STFOYTJKRQNDLF-MRVPVSSYSA-N -1 1 317.326 3.445 20 5 DGBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001229395283 1097311512 /nfs/dbraw/zinc/31/15/12/1097311512.db2.gz GQRPAFYWPSYCRK-SECBINFHSA-N -1 1 304.258 3.349 20 5 DGBDMM COc1ccc(OC[C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229396648 1097312774 /nfs/dbraw/zinc/31/27/74/1097312774.db2.gz VHQOXDFRAIWGPB-NSHDSACASA-N -1 1 319.313 3.155 20 5 DGBDMM Cc1cccc(OC[C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229396807 1097313038 /nfs/dbraw/zinc/31/30/38/1097313038.db2.gz ZCCDMIJABAACRO-LBPRGKRZSA-N -1 1 303.314 3.455 20 5 DGBDMM CO[C@@H](COc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1 ZINC001229750617 1097376696 /nfs/dbraw/zinc/37/66/96/1097376696.db2.gz OZQIQBJKEMKKLR-INIZCTEOSA-N -1 1 303.314 3.375 20 5 DGBDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229752583 1097377779 /nfs/dbraw/zinc/37/77/79/1097377779.db2.gz BWGUBLPZEJLJKT-VXGBXAGGSA-N -1 1 323.345 3.110 20 5 DGBDMM COC(=O)C[C@H]1CCC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229754847 1097378750 /nfs/dbraw/zinc/37/87/50/1097378750.db2.gz UCOSMDUFQNPPJH-RYUDHWBXSA-N -1 1 323.345 3.110 20 5 DGBDMM COc1ccccc1[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259268 1097705708 /nfs/dbraw/zinc/70/57/08/1097705708.db2.gz ILVUFPZMDUDYPY-JTQLQIEISA-N -1 1 304.302 3.152 20 5 DGBDMM O=[N+]([O-])c1cc2nc(OC3CC(F)(F)C3)[n-]c2cc1Cl ZINC001233496788 1098352261 /nfs/dbraw/zinc/35/22/61/1098352261.db2.gz AKBWYPMPPRUAJL-UHFFFAOYSA-N -1 1 303.652 3.301 20 5 DGBDMM O=C1CCCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505865 1098355762 /nfs/dbraw/zinc/35/57/62/1098355762.db2.gz IOKMXXJPZGLLBO-LBPRGKRZSA-N -1 1 309.709 3.015 20 5 DGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c(ccc4ncccc34)[nH]2)c1 ZINC001251386188 1105655302 /nfs/dbraw/zinc/65/53/02/1105655302.db2.gz UTOQPEOBDFLFGM-UHFFFAOYSA-N -1 1 306.281 3.392 20 5 DGBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(Cc2ccccn2)c1 ZINC000611412399 400396282 /nfs/dbraw/zinc/39/62/82/400396282.db2.gz VIOFMESZIACUTI-UHFFFAOYSA-N -1 1 301.331 3.040 20 5 DGBDMM C[C@H]1CSc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000597842965 400679307 /nfs/dbraw/zinc/67/93/07/400679307.db2.gz SDDKAVIZQFFCRH-SNVBAGLBSA-N -1 1 317.370 3.312 20 5 DGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000136306074 432152810 /nfs/dbraw/zinc/15/28/10/432152810.db2.gz MPOMAHRHTXOROA-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000352806095 265175404 /nfs/dbraw/zinc/17/54/04/265175404.db2.gz RPFCDOYFSGOBIY-UHFFFAOYSA-N -1 1 307.281 3.102 20 5 DGBDMM CC[C@@H](C)c1cc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])on1 ZINC000172719563 432230458 /nfs/dbraw/zinc/23/04/58/432230458.db2.gz NYUVSZZYIZMUOQ-SECBINFHSA-N -1 1 319.317 3.357 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3Cl)no2)[n-]1 ZINC000356044046 266266069 /nfs/dbraw/zinc/26/60/69/266266069.db2.gz URRJVHHRXWINSR-UHFFFAOYSA-N -1 1 304.693 3.217 20 5 DGBDMM O=C([N-]c1nc(-c2ccccc2F)co1)c1ccc([N+](=O)[O-])o1 ZINC000369537728 271288529 /nfs/dbraw/zinc/28/85/29/271288529.db2.gz UJDYCGLXMJWJBN-UHFFFAOYSA-N -1 1 317.232 3.234 20 5 DGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000154108340 432473001 /nfs/dbraw/zinc/47/30/01/432473001.db2.gz GOJLZNIJGYSGIU-UHFFFAOYSA-N -1 1 317.301 3.030 20 5 DGBDMM O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298868028 433266936 /nfs/dbraw/zinc/26/69/36/433266936.db2.gz VVGZYOMNTDIQIZ-UHFFFAOYSA-N -1 1 315.329 3.497 20 5 DGBDMM Cc1cc(F)c([N-]C(=O)c2cc(C(C)C)on2)cc1[N+](=O)[O-] ZINC000282430542 433607700 /nfs/dbraw/zinc/60/77/00/433607700.db2.gz MIVWCDSFSGTYRW-UHFFFAOYSA-N -1 1 307.281 3.406 20 5 DGBDMM CC(C)(C)c1n[nH]c(SCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000436475794 433973255 /nfs/dbraw/zinc/97/32/55/433973255.db2.gz QBSMHUOTOCRWNJ-UHFFFAOYSA-N -1 1 308.363 3.008 20 5 DGBDMM Cc1ncc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)o1 ZINC000340531537 434189492 /nfs/dbraw/zinc/18/94/92/434189492.db2.gz ASRYHTHVCUUFEN-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000445454603 434801612 /nfs/dbraw/zinc/80/16/12/434801612.db2.gz MQCPSFJNTZNLQV-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445215687 434790121 /nfs/dbraw/zinc/79/01/21/434790121.db2.gz NBDXHXUOPPBHFY-DGCLKSJQSA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000537652838 313827353 /nfs/dbraw/zinc/82/73/53/313827353.db2.gz DVGGFFULTRWYJC-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCc1nc(SCc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000569356505 315576139 /nfs/dbraw/zinc/57/61/39/315576139.db2.gz DFJGFOXURDBRDZ-UHFFFAOYSA-N -1 1 305.359 3.254 20 5 DGBDMM COc1cc(Cl)ccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350964440 323525706 /nfs/dbraw/zinc/52/57/06/323525706.db2.gz VMXUDJWCASOGEO-UHFFFAOYSA-N -1 1 320.692 3.302 20 5 DGBDMM CCO[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000351007872 323530681 /nfs/dbraw/zinc/53/06/81/323530681.db2.gz PUHCTQYZRCYEFG-ZDUSSCGKSA-N -1 1 314.301 3.099 20 5 DGBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111668285 620746411 /nfs/dbraw/zinc/74/64/11/620746411.db2.gz SERQNOHWCINBJB-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CC(C)(C)OCCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000789071605 625351495 /nfs/dbraw/zinc/35/14/95/625351495.db2.gz NQTHUEGWJUHNSJ-UHFFFAOYSA-N -1 1 311.334 3.053 20 5 DGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ncoc1C1CC1 ZINC000839354674 621364083 /nfs/dbraw/zinc/36/40/83/621364083.db2.gz TTZCEZFQYYCWRD-UHFFFAOYSA-N -1 1 305.265 3.160 20 5 DGBDMM C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(C(=O)[O-])co1 ZINC000756306646 621626470 /nfs/dbraw/zinc/62/64/70/621626470.db2.gz LWJKSPGXHJVYEC-WZUFQYTHSA-N -1 1 316.313 3.079 20 5 DGBDMM CC(C)(C)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000888560494 622578338 /nfs/dbraw/zinc/57/83/38/622578338.db2.gz OQWRYHDIROOFBE-UHFFFAOYSA-N -1 1 303.318 3.353 20 5 DGBDMM O=C(OCCOC1CCCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070943 623857454 /nfs/dbraw/zinc/85/74/54/623857454.db2.gz AHUJSGNHDZGAPF-UHFFFAOYSA-N -1 1 323.345 3.197 20 5 DGBDMM Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2s1 ZINC000781201006 624038266 /nfs/dbraw/zinc/03/82/66/624038266.db2.gz YTJJCVAETSQLMI-UHFFFAOYSA-N -1 1 302.315 3.093 20 5 DGBDMM CSc1ccccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000781249205 624044319 /nfs/dbraw/zinc/04/43/19/624044319.db2.gz ZSOYEDZYPROPJS-UHFFFAOYSA-N -1 1 319.338 3.379 20 5 DGBDMM COc1cccc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000784213224 624455814 /nfs/dbraw/zinc/45/58/14/624455814.db2.gz DLCLIWVTFIWBJY-SNVBAGLBSA-N -1 1 317.297 3.227 20 5 DGBDMM CCc1ncsc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000137077677 627105234 /nfs/dbraw/zinc/10/52/34/627105234.db2.gz SNFLBMRAGIXZJQ-UHFFFAOYSA-N -1 1 313.285 3.144 20 5 DGBDMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000819676067 628177666 /nfs/dbraw/zinc/17/76/66/628177666.db2.gz IJPFPEYRSKSEQT-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000833680396 629640199 /nfs/dbraw/zinc/64/01/99/629640199.db2.gz IBJJUPHTAPMBJH-SNVBAGLBSA-N -1 1 318.329 3.299 20 5 DGBDMM Cc1cc(F)cc(C(=O)Nc2cc(F)ccc2[O-])c1[N+](=O)[O-] ZINC000179648200 659936780 /nfs/dbraw/zinc/93/67/80/659936780.db2.gz JZCOSNCDTXWRRW-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM O=[N+]([O-])c1c(Sc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC001593469575 1192632173 /nfs/dbraw/zinc/63/21/73/1192632173.db2.gz WQVFJFIOMSZZER-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=[N+]([O-])c1c(Sc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC001593469575 1192632176 /nfs/dbraw/zinc/63/21/76/1192632176.db2.gz WQVFJFIOMSZZER-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=[N+]([O-])c1cc(Oc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC001593474993 1192632451 /nfs/dbraw/zinc/63/24/51/1192632451.db2.gz STFJOZDZZKJJKK-UHFFFAOYSA-N -1 1 317.692 3.221 20 5 DGBDMM O=[N+]([O-])c1cc(Oc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001593474993 1192632452 /nfs/dbraw/zinc/63/24/52/1192632452.db2.gz STFJOZDZZKJJKK-UHFFFAOYSA-N -1 1 317.692 3.221 20 5 DGBDMM CC(C)(NCc1cc(C(=O)[O-])cs1)c1ccccc1[N+](=O)[O-] ZINC001603681461 1193025773 /nfs/dbraw/zinc/02/57/73/1193025773.db2.gz ASNCBJRQAHMSFT-UHFFFAOYSA-N -1 1 320.370 3.379 20 5 DGBDMM CC1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCCC1 ZINC001603805758 1193032899 /nfs/dbraw/zinc/03/28/99/1193032899.db2.gz CKFJDFOFTASASW-UHFFFAOYSA-N -1 1 322.394 3.219 20 5 DGBDMM CC1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCCC1 ZINC001603805758 1193032900 /nfs/dbraw/zinc/03/29/00/1193032900.db2.gz CKFJDFOFTASASW-UHFFFAOYSA-N -1 1 322.394 3.219 20 5 DGBDMM CC[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604001410 1193043518 /nfs/dbraw/zinc/04/35/18/1193043518.db2.gz UDTGKHAKUSAEQA-VHSXEESVSA-N -1 1 304.354 3.012 20 5 DGBDMM C[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001604321149 1193064680 /nfs/dbraw/zinc/06/46/80/1193064680.db2.gz BULYAWFNNHYMOI-GHMZBOCLSA-N -1 1 315.329 3.100 20 5 DGBDMM Cc1conc1[N-]C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001436181922 1181873052 /nfs/dbraw/zinc/87/30/52/1181873052.db2.gz FIKUYMZKSLKVJP-UHFFFAOYSA-N -1 1 324.296 3.206 20 5 DGBDMM CC(F)(F)c1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001455017072 1182358064 /nfs/dbraw/zinc/35/80/64/1182358064.db2.gz AZLBJSDGDOCYQL-UHFFFAOYSA-N -1 1 313.235 3.426 20 5 DGBDMM Cc1ccc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001605883837 1193182360 /nfs/dbraw/zinc/18/23/60/1193182360.db2.gz IUXBYUAYZAXDDZ-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM Cc1ccc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001605883837 1193182361 /nfs/dbraw/zinc/18/23/61/1193182361.db2.gz IUXBYUAYZAXDDZ-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001607460774 1193230456 /nfs/dbraw/zinc/23/04/56/1193230456.db2.gz LKZGLUQLBHXJCK-JTQLQIEISA-N -1 1 318.304 3.283 20 5 DGBDMM CC1(C)CCC(C)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001557040770 1189037276 /nfs/dbraw/zinc/03/72/76/1189037276.db2.gz JRLPCIBWXWFMPR-UHFFFAOYSA-N -1 1 321.377 3.032 20 5 DGBDMM CCOc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1[N+](=O)[O-] ZINC001557957892 1189095241 /nfs/dbraw/zinc/09/52/41/1189095241.db2.gz WLDYTOAVFQISDX-UHFFFAOYSA-N -1 1 320.276 3.091 20 5 DGBDMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001652753080 1195648233 /nfs/dbraw/zinc/64/82/33/1195648233.db2.gz HKFZLVGAGSZTPQ-JKSUJKDBSA-N -1 1 322.405 3.326 20 5 DGBDMM O=C([O-])c1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001595245054 949512316 /nfs/dbraw/zinc/51/23/16/949512316.db2.gz RNDMBEMLWVAYLT-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM O=C(Nc1ccccc1-c1nccs1)c1ccc([N+](=O)[O-])[n-]1 ZINC001181507820 1083481021 /nfs/dbraw/zinc/48/10/21/1083481021.db2.gz XJPDQPKQDNUBHW-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM CC(C)CCCCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001160514461 1088844691 /nfs/dbraw/zinc/84/46/91/1088844691.db2.gz WEPYAUJBDQGPAD-UHFFFAOYSA-N -1 1 309.366 3.032 20 5 DGBDMM CC[C@H](NC(=O)c1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC001295821145 1091646770 /nfs/dbraw/zinc/64/67/70/1091646770.db2.gz VIZANHSPVFOPFX-ZDUSSCGKSA-N -1 1 318.304 3.321 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cccnc2Br)ccc1[O-] ZINC001210392356 1093151833 /nfs/dbraw/zinc/15/18/33/1093151833.db2.gz BWSQXNCHMDBCCJ-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cc(OC(F)(F)F)ccn2)ccc1[O-] ZINC001210394975 1093151858 /nfs/dbraw/zinc/15/18/58/1093151858.db2.gz LGBLCHWQVHYEGK-UHFFFAOYSA-N -1 1 315.207 3.338 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ncccc2N2CCCCC2)ccc1[O-] ZINC001210395754 1093153415 /nfs/dbraw/zinc/15/34/15/1093153415.db2.gz FVCAAOGXAAWBOA-UHFFFAOYSA-N -1 1 314.345 3.429 20 5 DGBDMM O=[N+]([O-])c1ccc(F)c([N-]c2nccnc2C(F)(F)F)c1F ZINC001215290009 1093952004 /nfs/dbraw/zinc/95/20/04/1093952004.db2.gz ULSYJHRGOHNKHD-UHFFFAOYSA-N -1 1 320.177 3.425 20 5 DGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(C)(C)F)on2)c1 ZINC001135195402 1094438757 /nfs/dbraw/zinc/43/87/57/1094438757.db2.gz RIRLKVOSMUDJBR-UHFFFAOYSA-N -1 1 323.280 3.048 20 5 DGBDMM O=c1c2cc(O[C@H]3C=CCC3)c([O-])cc2oc2cccc(O)c12 ZINC001227310749 1096914877 /nfs/dbraw/zinc/91/48/77/1096914877.db2.gz XKPWZWJCTHENIH-JTQLQIEISA-N -1 1 310.305 3.455 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1C=CCCC1 ZINC001228859087 1097205072 /nfs/dbraw/zinc/20/50/72/1097205072.db2.gz IMEKVJSVTJFOMV-SSDOTTSWSA-N -1 1 304.224 3.202 20 5 DGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ccco1 ZINC001228860285 1097205400 /nfs/dbraw/zinc/20/54/00/1097205400.db2.gz SMJJIOANQJDOCG-ZCFIWIBFSA-N -1 1 318.207 3.447 20 5 DGBDMM COc1ccccc1OC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394733 1097311679 /nfs/dbraw/zinc/31/16/79/1097311679.db2.gz BOKIXYWCBYDMIT-LLVKDONJSA-N -1 1 319.313 3.155 20 5 DGBDMM COc1ccc([C@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cn1 ZINC001229750633 1097376093 /nfs/dbraw/zinc/37/60/93/1097376093.db2.gz PIBSOPCXIJDTPI-JTQLQIEISA-N -1 1 304.302 3.152 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)COc2ccccc2C)n1 ZINC001231262727 1097707051 /nfs/dbraw/zinc/70/70/51/1097707051.db2.gz GUMFHQPRXWEKTB-GFCCVEGCSA-N -1 1 318.329 3.159 20 5 DGBDMM CC[C@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234752710 1098660009 /nfs/dbraw/zinc/66/00/09/1098660009.db2.gz IRHBFBMRFGNVBW-QMMMGPOBSA-N -1 1 316.309 3.240 20 5 DGBDMM CC[C@@H](COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(F)F ZINC001327099855 1103521333 /nfs/dbraw/zinc/52/13/33/1103521333.db2.gz XQDLPCGHFHMMDL-MRVPVSSYSA-N -1 1 303.261 3.139 20 5 DGBDMM CC(C)(NC(=O)c1ccc(F)c([O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001137234587 1104190075 /nfs/dbraw/zinc/19/00/75/1104190075.db2.gz NOXBZSXMEZABGB-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM Cc1cc([C@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC001308110064 1111379570 /nfs/dbraw/zinc/37/95/70/1111379570.db2.gz UWURAGQCYKGBOZ-MRXNPFEDSA-N -1 1 316.361 3.059 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1[N+](=O)[O-] ZINC000088717231 185263172 /nfs/dbraw/zinc/26/31/72/185263172.db2.gz JWPDPGCPSHJYJE-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000276929407 213182618 /nfs/dbraw/zinc/18/26/18/213182618.db2.gz BFLNKDBJIQCWOQ-ZDUSSCGKSA-N -1 1 320.370 3.270 20 5 DGBDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000135675025 284486395 /nfs/dbraw/zinc/48/63/95/284486395.db2.gz OCFYIODAKZRZML-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CSc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000337771191 253172128 /nfs/dbraw/zinc/17/21/28/253172128.db2.gz VMLALOCVEJKSBC-UHFFFAOYSA-N -1 1 324.383 3.118 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445489609 285104173 /nfs/dbraw/zinc/10/41/73/285104173.db2.gz ZFAIUGMQLAVOFN-UHFFFAOYSA-N -1 1 301.233 3.157 20 5 DGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OC(C)C ZINC000357382014 285741909 /nfs/dbraw/zinc/74/19/09/285741909.db2.gz FELPPBRYHWLYIO-UHFFFAOYSA-N -1 1 303.318 3.271 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000005814969 400090106 /nfs/dbraw/zinc/09/01/06/400090106.db2.gz QABRQVFUHVPFPW-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000016147674 400171121 /nfs/dbraw/zinc/17/11/21/400171121.db2.gz QSWYOOPEAKUVLA-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1nc(SCc2c(F)cccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000611468957 400406986 /nfs/dbraw/zinc/40/69/86/400406986.db2.gz LGZDIHYQMAEJLZ-UHFFFAOYSA-N -1 1 309.322 3.139 20 5 DGBDMM CC(C)(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000055977664 400907964 /nfs/dbraw/zinc/90/79/64/400907964.db2.gz KZUQOCOFOTVSPX-UHFFFAOYSA-N -1 1 324.337 3.135 20 5 DGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)s1 ZINC000189736770 400909470 /nfs/dbraw/zinc/90/94/70/400909470.db2.gz DSNPUVDWSHUEGH-UHFFFAOYSA-N -1 1 324.792 3.172 20 5 DGBDMM O=C(Nc1ccccc1NC1CCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000593814394 400913422 /nfs/dbraw/zinc/91/34/22/400913422.db2.gz RMEWARCWXOVOEU-UHFFFAOYSA-N -1 1 300.318 3.140 20 5 DGBDMM CCOCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000356121200 266289100 /nfs/dbraw/zinc/28/91/00/266289100.db2.gz JKODMAWUEZTFGW-UHFFFAOYSA-N -1 1 314.301 3.176 20 5 DGBDMM O=C([N-]c1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006861890 431321900 /nfs/dbraw/zinc/32/19/00/431321900.db2.gz TXENKJGHFYEANV-UHFFFAOYSA-N -1 1 324.749 3.229 20 5 DGBDMM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000075082568 431451997 /nfs/dbraw/zinc/45/19/97/431451997.db2.gz ODOHWJZULLEIMV-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000192730140 432406614 /nfs/dbraw/zinc/40/66/14/432406614.db2.gz WGQPYUXPCIMADE-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM CCc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C ZINC000187163486 432649281 /nfs/dbraw/zinc/64/92/81/432649281.db2.gz KXNIPDQHXVRYCX-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1N1CCCC1 ZINC000298847715 433259321 /nfs/dbraw/zinc/25/93/21/433259321.db2.gz LIVVWGPDGVQOLC-UHFFFAOYSA-N -1 1 314.345 3.084 20 5 DGBDMM O=C(Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298865803 433264551 /nfs/dbraw/zinc/26/45/51/433264551.db2.gz SRSXXCJGNSNLRT-UHFFFAOYSA-N -1 1 314.345 3.166 20 5 DGBDMM Cc1cccc2c(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c[nH]c21 ZINC000356762328 433682874 /nfs/dbraw/zinc/68/28/74/433682874.db2.gz FYOXHMBWIXJPMW-UHFFFAOYSA-N -1 1 323.312 3.353 20 5 DGBDMM CN(C)c1cnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cn1 ZINC000352206972 433981244 /nfs/dbraw/zinc/98/12/44/433981244.db2.gz RJYPBRNFSOQUDA-UHFFFAOYSA-N -1 1 317.352 3.012 20 5 DGBDMM CCc1ccc2nc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC000436743823 434090397 /nfs/dbraw/zinc/09/03/97/434090397.db2.gz YPYALDKXBSSSOZ-UHFFFAOYSA-N -1 1 313.313 3.415 20 5 DGBDMM Cc1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c([O-])c1 ZINC000437002313 434201207 /nfs/dbraw/zinc/20/12/07/434201207.db2.gz XFSXVCXITRRQEF-UHFFFAOYSA-N -1 1 311.297 3.250 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000445455415 434801362 /nfs/dbraw/zinc/80/13/62/434801362.db2.gz JZSYBTSJHSFWGD-UHFFFAOYSA-N -1 1 307.262 3.218 20 5 DGBDMM O=[N+]([O-])c1cccc(Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445457230 434802747 /nfs/dbraw/zinc/80/27/47/434802747.db2.gz XROOINNEYPNMLG-UHFFFAOYSA-N -1 1 315.260 3.080 20 5 DGBDMM CC(C)N(Cc1cc(C(=O)[O-])co1)Cc1ccc([N+](=O)[O-])cc1 ZINC000578368278 435079549 /nfs/dbraw/zinc/07/95/49/435079549.db2.gz JMAMLKWOCBZCGM-UHFFFAOYSA-N -1 1 318.329 3.297 20 5 DGBDMM O=C(Nc1ccc(SC(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917890396 620687198 /nfs/dbraw/zinc/68/71/98/620687198.db2.gz PCWJEQQMTDJHQV-UHFFFAOYSA-N -1 1 313.285 3.490 20 5 DGBDMM Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)co1 ZINC000918014290 620692048 /nfs/dbraw/zinc/69/20/48/620692048.db2.gz WXAJXKYDKVQRHH-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000863528358 621680953 /nfs/dbraw/zinc/68/09/53/621680953.db2.gz JFRAQOXQCJTRHZ-UHFFFAOYSA-N -1 1 303.318 3.272 20 5 DGBDMM C[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000762262457 622066781 /nfs/dbraw/zinc/06/67/81/622066781.db2.gz FURXDNIFANDGEU-NSHDSACASA-N -1 1 318.304 3.085 20 5 DGBDMM CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc([O-])c(Cl)c1 ZINC000872725472 622960404 /nfs/dbraw/zinc/96/04/04/622960404.db2.gz GDCOJKJHEJKDPB-UHFFFAOYSA-N -1 1 310.741 3.091 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1noc2c1CCCCC2 ZINC000125399480 623442769 /nfs/dbraw/zinc/44/27/69/623442769.db2.gz PVYGVUUHTKRIRS-UHFFFAOYSA-N -1 1 319.292 3.243 20 5 DGBDMM Cc1noc(C2CC2)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000783861085 624401413 /nfs/dbraw/zinc/40/14/13/624401413.db2.gz IJDRTNNEAMYZGW-UHFFFAOYSA-N -1 1 323.255 3.299 20 5 DGBDMM Cc1ccc(C)c(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001581181803 1192055662 /nfs/dbraw/zinc/05/56/62/1192055662.db2.gz CJKQEGWFFKDRGU-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM Cc1ccc(C)c(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001581181803 1192055663 /nfs/dbraw/zinc/05/56/63/1192055663.db2.gz CJKQEGWFFKDRGU-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM CC(C)(C)CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589124515 1192459121 /nfs/dbraw/zinc/45/91/21/1192459121.db2.gz GTXWKZZDITXPER-UHFFFAOYSA-N -1 1 304.354 3.013 20 5 DGBDMM CC(C)(C)CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589124515 1192459123 /nfs/dbraw/zinc/45/91/23/1192459123.db2.gz GTXWKZZDITXPER-UHFFFAOYSA-N -1 1 304.354 3.013 20 5 DGBDMM CC(C)CCCSc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589598014 1192469533 /nfs/dbraw/zinc/46/95/33/1192469533.db2.gz QEYFURNFDUPKBT-UHFFFAOYSA-N -1 1 307.379 3.303 20 5 DGBDMM CC(C)CCCSc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589598014 1192469535 /nfs/dbraw/zinc/46/95/35/1192469535.db2.gz QEYFURNFDUPKBT-UHFFFAOYSA-N -1 1 307.379 3.303 20 5 DGBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1 ZINC001589982896 1192481559 /nfs/dbraw/zinc/48/15/59/1192481559.db2.gz YXMDJGNHTNZWQB-MRVPVSSYSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1 ZINC001589982896 1192481566 /nfs/dbraw/zinc/48/15/66/1192481566.db2.gz YXMDJGNHTNZWQB-MRVPVSSYSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H](C)C1 ZINC001590237863 1192495618 /nfs/dbraw/zinc/49/56/18/1192495618.db2.gz CTVDTRPQPLGJJN-FOGDFJRCSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H](C)C1 ZINC001590237863 1192495623 /nfs/dbraw/zinc/49/56/23/1192495623.db2.gz CTVDTRPQPLGJJN-FOGDFJRCSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@H]1CCC[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603888655 1193037096 /nfs/dbraw/zinc/03/70/96/1193037096.db2.gz YLAOHIGFHKNCFX-QWRGUYRKSA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@H]1CCC[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603888655 1193037098 /nfs/dbraw/zinc/03/70/98/1193037098.db2.gz YLAOHIGFHKNCFX-QWRGUYRKSA-N -1 1 316.365 3.013 20 5 DGBDMM CCC[C@@H](CC)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604144777 1193055925 /nfs/dbraw/zinc/05/59/25/1193055925.db2.gz NKBKGXUGFAJTRV-SECBINFHSA-N -1 1 307.379 3.446 20 5 DGBDMM CCC[C@@H](CC)Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604144777 1193055929 /nfs/dbraw/zinc/05/59/29/1193055929.db2.gz NKBKGXUGFAJTRV-SECBINFHSA-N -1 1 307.379 3.446 20 5 DGBDMM O=[N+]([O-])c1c([N-]c2cnn(C3CCCC3)c2)nc2ccccn21 ZINC001472881837 1183695487 /nfs/dbraw/zinc/69/54/87/1183695487.db2.gz ANQNFLPJWWQYLN-UHFFFAOYSA-N -1 1 312.333 3.298 20 5 DGBDMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001607752280 1193253753 /nfs/dbraw/zinc/25/37/53/1193253753.db2.gz XIFAIMAPFAQMBP-JTQLQIEISA-N -1 1 318.329 3.354 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001556920012 1189028755 /nfs/dbraw/zinc/02/87/55/1189028755.db2.gz ZFPURJVIBHPGQI-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM COc1cc(C(=O)Nc2cccc(F)c2[O-])cc([N+](=O)[O-])c1C ZINC001557957029 1189094266 /nfs/dbraw/zinc/09/42/66/1189094266.db2.gz PNKXSGCTTLPMAP-UHFFFAOYSA-N -1 1 320.276 3.009 20 5 DGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001627447865 1194129208 /nfs/dbraw/zinc/12/92/08/1194129208.db2.gz CCGYUYAQGDAHOI-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM Cc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001632363036 1194384185 /nfs/dbraw/zinc/38/41/85/1194384185.db2.gz BYMCFAPLZUITAW-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CC(C)Nc1cccc(F)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001639322124 1194760428 /nfs/dbraw/zinc/76/04/28/1194760428.db2.gz YMPFYYYCAPEQBA-UHFFFAOYSA-N -1 1 306.297 3.135 20 5 DGBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC001644861396 1195138634 /nfs/dbraw/zinc/13/86/34/1195138634.db2.gz VJYIDIFJQVCWTJ-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001648723084 1195325563 /nfs/dbraw/zinc/32/55/63/1195325563.db2.gz RXQGNXIDZGIXMG-UHFFFAOYSA-N -1 1 321.720 3.218 20 5 DGBDMM CCc1[nH]c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001597390888 987619237 /nfs/dbraw/zinc/61/92/37/987619237.db2.gz HCCQHZALHXNEDQ-JTQLQIEISA-N -1 1 317.345 3.034 20 5 DGBDMM C[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC001593194512 994136827 /nfs/dbraw/zinc/13/68/27/994136827.db2.gz ILCRJJGVBIARQJ-ZANVPECISA-N -1 1 306.343 3.133 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ncccc2OC(F)(F)F)ccc1[O-] ZINC001210393729 1093151716 /nfs/dbraw/zinc/15/17/16/1093151716.db2.gz HRDFGCXBQJNFMG-UHFFFAOYSA-N -1 1 315.207 3.338 20 5 DGBDMM COC(=O)c1scc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392679 1093152471 /nfs/dbraw/zinc/15/24/71/1093152471.db2.gz HTUKRCVDIFXMDU-UHFFFAOYSA-N -1 1 308.315 3.201 20 5 DGBDMM C[C@H]1CC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860904 1097205480 /nfs/dbraw/zinc/20/54/80/1097205480.db2.gz XSYHVIFVXJOKDJ-NKWVEPMBSA-N -1 1 306.240 3.282 20 5 DGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001228859208 1097205549 /nfs/dbraw/zinc/20/55/49/1097205549.db2.gz JFKPUVDQTZIGIS-SSDOTTSWSA-N -1 1 315.227 3.182 20 5 DGBDMM CC[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1C ZINC001229382165 1097309458 /nfs/dbraw/zinc/30/94/58/1097309458.db2.gz QGIVBAVKWXMIBF-LBPRGKRZSA-N -1 1 321.308 3.376 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCCN(c3ccccc3)C2)c1 ZINC001229395942 1097312150 /nfs/dbraw/zinc/31/21/50/1097312150.db2.gz NOYVIANRGWBNCZ-HNNXBMFYSA-N -1 1 314.341 3.348 20 5 DGBDMM CC[C@@H](COC)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515844 1097337341 /nfs/dbraw/zinc/33/73/41/1097337341.db2.gz HUQBTDVMLDVTMD-LBPRGKRZSA-N -1 1 314.337 3.456 20 5 DGBDMM CC(=O)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1 ZINC001229754433 1097377251 /nfs/dbraw/zinc/37/72/51/1097377251.db2.gz PMNJFWJPDVHLJN-INIZCTEOSA-N -1 1 301.298 3.318 20 5 DGBDMM O=c1oc2cc([O-])ccc2c2cc(O[C@@H]3C=CCC3)c(O)cc12 ZINC001229805640 1097390469 /nfs/dbraw/zinc/39/04/69/1097390469.db2.gz NQHCPRCWWZPEKP-LLVKDONJSA-N -1 1 310.305 3.455 20 5 DGBDMM Cc1ccc(OC[C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231262291 1097706908 /nfs/dbraw/zinc/70/69/08/1097706908.db2.gz FDENBGYDQJCGOW-GFCCVEGCSA-N -1 1 318.329 3.159 20 5 DGBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC1CCCC1 ZINC001234876672 1098694940 /nfs/dbraw/zinc/69/49/40/1098694940.db2.gz IWKXSXCBZPRFSL-UHFFFAOYSA-N -1 1 302.124 3.384 20 5 DGBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001320065240 1106836056 /nfs/dbraw/zinc/83/60/56/1106836056.db2.gz HVGOHZFPVCMALZ-UHFFFAOYSA-N -1 1 321.720 3.248 20 5 DGBDMM O=C([N-]c1c(F)ccnc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC001324070359 1108167369 /nfs/dbraw/zinc/16/73/69/1108167369.db2.gz RWHKVRIIWDLTCU-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM CC(C)CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000278198426 214018956 /nfs/dbraw/zinc/01/89/56/214018956.db2.gz PPIVPIOBBVZZRT-UHFFFAOYSA-N -1 1 321.377 3.126 20 5 DGBDMM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000443922654 239239910 /nfs/dbraw/zinc/23/99/10/239239910.db2.gz WOARURDILDFNCS-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000152651510 284633637 /nfs/dbraw/zinc/63/36/37/284633637.db2.gz ZSINSALMHHGLPC-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000060232531 184145503 /nfs/dbraw/zinc/14/55/03/184145503.db2.gz YMJCFENGLGQDSL-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)onc2CC)c1 ZINC000338471831 253293742 /nfs/dbraw/zinc/29/37/42/253293742.db2.gz VHXJDJXREHWWBT-UHFFFAOYSA-N -1 1 319.317 3.105 20 5 DGBDMM CCSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000357291029 285703621 /nfs/dbraw/zinc/70/36/21/285703621.db2.gz XBVFZCLVXDSNLN-UHFFFAOYSA-N -1 1 305.359 3.428 20 5 DGBDMM O=C(Nc1cccnc1Oc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609163512 400146137 /nfs/dbraw/zinc/14/61/37/400146137.db2.gz ODDWQLJCSLJQOR-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000060065204 401098882 /nfs/dbraw/zinc/09/88/82/401098882.db2.gz GXWQMUALKUVGEP-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(NCCc2n[n-]c(=S)n2C(C)C)c1 ZINC000088724005 401206309 /nfs/dbraw/zinc/20/63/09/401206309.db2.gz LNZUHZGXIPHIBN-UHFFFAOYSA-N -1 1 321.406 3.393 20 5 DGBDMM CC[C@H](C)c1cc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])on1 ZINC000172719566 164667298 /nfs/dbraw/zinc/66/72/98/164667298.db2.gz NYUVSZZYIZMUOQ-VIFPVBQESA-N -1 1 319.317 3.357 20 5 DGBDMM Cc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000230234771 165394967 /nfs/dbraw/zinc/39/49/67/165394967.db2.gz IYGPLJSZJKCYEG-UHFFFAOYSA-N -1 1 324.134 3.246 20 5 DGBDMM CSc1cc(O)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000191161310 432228678 /nfs/dbraw/zinc/22/86/78/432228678.db2.gz IOCYMSYASWSPNM-UHFFFAOYSA-N -1 1 310.356 3.336 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCc4ccccc43)no2)[n-]1 ZINC000355890067 266220186 /nfs/dbraw/zinc/22/01/86/266220186.db2.gz LAUXMZLQENSZBV-LBPRGKRZSA-N -1 1 310.313 3.441 20 5 DGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2)c1C ZINC000007323188 431341673 /nfs/dbraw/zinc/34/16/73/431341673.db2.gz MLVLQGTWEDXBLH-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1F ZINC000186023123 432554850 /nfs/dbraw/zinc/55/48/50/432554850.db2.gz CLHFVPMORWXWLY-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM CCc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000187183112 432651743 /nfs/dbraw/zinc/65/17/43/432651743.db2.gz VFNYMFVMNWWAAW-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM CCCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298959275 433286400 /nfs/dbraw/zinc/28/64/00/433286400.db2.gz JHMMUANKWPYSHT-UHFFFAOYSA-N -1 1 303.318 3.272 20 5 DGBDMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340369040 434092202 /nfs/dbraw/zinc/09/22/02/434092202.db2.gz BVDRULGLRHJYRH-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000317134543 434200725 /nfs/dbraw/zinc/20/07/25/434200725.db2.gz DPJZMNCJQAQCTL-UHFFFAOYSA-N -1 1 301.233 3.157 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000536699049 435406901 /nfs/dbraw/zinc/40/69/01/435406901.db2.gz RHRMGIPDHKBBHK-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000539855197 435577317 /nfs/dbraw/zinc/57/73/17/435577317.db2.gz OXXMLOGKIFQJPF-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1ccccc1S(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000536894486 313791018 /nfs/dbraw/zinc/79/10/18/313791018.db2.gz RNOZSFMAQUDIED-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)nc1 ZINC000581289587 324100378 /nfs/dbraw/zinc/10/03/78/324100378.db2.gz XCRZFZZXPAGSRR-UHFFFAOYSA-N -1 1 318.676 3.066 20 5 DGBDMM O=c1cc(C(F)F)nc(SCc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000581913255 324166859 /nfs/dbraw/zinc/16/68/59/324166859.db2.gz YRMNFBHYPGGCSN-UHFFFAOYSA-N -1 1 313.285 3.320 20 5 DGBDMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445215688 527787976 /nfs/dbraw/zinc/78/79/76/527787976.db2.gz NBDXHXUOPPBHFY-WCQYABFASA-N -1 1 321.377 3.030 20 5 DGBDMM O=C(Nc1cccc(SC(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000727412519 576124032 /nfs/dbraw/zinc/12/40/32/576124032.db2.gz MIILHFLWGQCHNX-UHFFFAOYSA-N -1 1 313.285 3.490 20 5 DGBDMM O=C(Nc1ccccc1SC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000917954634 620688653 /nfs/dbraw/zinc/68/86/53/620688653.db2.gz MRTAURPEZAEZEX-UHFFFAOYSA-N -1 1 313.285 3.490 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000767170480 622380124 /nfs/dbraw/zinc/38/01/24/622380124.db2.gz LDUHUZDMHQXOIR-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM O=C(OCc1ccc(CF)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071126 623857427 /nfs/dbraw/zinc/85/74/27/623857427.db2.gz CSBPLAXEYNDZAM-UHFFFAOYSA-N -1 1 305.261 3.127 20 5 DGBDMM CC[C@@H](C)n1ncc([N-]c2nc3ccccn3c2[N+](=O)[O-])c1C ZINC000790809443 625702155 /nfs/dbraw/zinc/70/21/55/625702155.db2.gz YHMNAHVZHAEJDD-SNVBAGLBSA-N -1 1 314.349 3.462 20 5 DGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833207082 629571385 /nfs/dbraw/zinc/57/13/85/629571385.db2.gz GYWAPNWKZGWQKP-NSHDSACASA-N -1 1 312.753 3.077 20 5 DGBDMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000833680395 629640273 /nfs/dbraw/zinc/64/02/73/629640273.db2.gz IBJJUPHTAPMBJH-JTQLQIEISA-N -1 1 318.329 3.299 20 5 DGBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000843769177 630699289 /nfs/dbraw/zinc/69/92/89/630699289.db2.gz FBYYDYQPPNCLHS-UHFFFAOYSA-N -1 1 322.321 3.024 20 5 DGBDMM CC(C)C(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(C)C ZINC001589456394 1192464956 /nfs/dbraw/zinc/46/49/56/1192464956.db2.gz GIUMNHPZYXWHTB-UHFFFAOYSA-N -1 1 318.381 3.115 20 5 DGBDMM CC(C)C(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(C)C ZINC001589456394 1192464961 /nfs/dbraw/zinc/46/49/61/1192464961.db2.gz GIUMNHPZYXWHTB-UHFFFAOYSA-N -1 1 318.381 3.115 20 5 DGBDMM CC1(C)CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590094135 1192488116 /nfs/dbraw/zinc/48/81/16/1192488116.db2.gz ACHUMTVFTNSRND-SNVBAGLBSA-N -1 1 316.365 3.013 20 5 DGBDMM CC1(C)CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590094135 1192488118 /nfs/dbraw/zinc/48/81/18/1192488118.db2.gz ACHUMTVFTNSRND-SNVBAGLBSA-N -1 1 316.365 3.013 20 5 DGBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001590472013 1192512349 /nfs/dbraw/zinc/51/23/49/1192512349.db2.gz QBXSTMXHNCJEAH-HTQZYQBOSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001590472013 1192512352 /nfs/dbraw/zinc/51/23/52/1192512352.db2.gz QBXSTMXHNCJEAH-HTQZYQBOSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@H]1CCCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590513531 1192517435 /nfs/dbraw/zinc/51/74/35/1192517435.db2.gz WAYMJFXGYKGERV-IUCAKERBSA-N -1 1 322.394 3.217 20 5 DGBDMM CC[C@H]1CCCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590513531 1192517444 /nfs/dbraw/zinc/51/74/44/1192517444.db2.gz WAYMJFXGYKGERV-IUCAKERBSA-N -1 1 322.394 3.217 20 5 DGBDMM CCCCN(CCCC)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590601600 1192529936 /nfs/dbraw/zinc/52/99/36/1192529936.db2.gz URMXWDJFXNPTNR-UHFFFAOYSA-N -1 1 324.410 3.243 20 5 DGBDMM CCCCN(CCCC)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590601600 1192529940 /nfs/dbraw/zinc/52/99/40/1192529940.db2.gz URMXWDJFXNPTNR-UHFFFAOYSA-N -1 1 324.410 3.243 20 5 DGBDMM Cc1ccc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1C ZINC001592185794 1192599908 /nfs/dbraw/zinc/59/99/08/1192599908.db2.gz CBHSSIRNLZWULF-UHFFFAOYSA-N -1 1 310.317 3.135 20 5 DGBDMM Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC001592136278 1192595834 /nfs/dbraw/zinc/59/58/34/1192595834.db2.gz ZQMSTCYIJFZUAA-NSHDSACASA-N -1 1 324.344 3.256 20 5 DGBDMM Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC001592136278 1192595842 /nfs/dbraw/zinc/59/58/42/1192595842.db2.gz ZQMSTCYIJFZUAA-NSHDSACASA-N -1 1 324.344 3.256 20 5 DGBDMM O=[N+]([O-])c1c(SCC2CCCCC2)cccc1-c1nnn[n-]1 ZINC001593468640 1192631555 /nfs/dbraw/zinc/63/15/55/1192631555.db2.gz HLYXJQVECAXPIZ-UHFFFAOYSA-N -1 1 319.390 3.447 20 5 DGBDMM O=[N+]([O-])c1c(SCC2CCCCC2)cccc1-c1nn[n-]n1 ZINC001593468640 1192631563 /nfs/dbraw/zinc/63/15/63/1192631563.db2.gz HLYXJQVECAXPIZ-UHFFFAOYSA-N -1 1 319.390 3.447 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001454757894 1182352595 /nfs/dbraw/zinc/35/25/95/1182352595.db2.gz NLKSKIUMZIVLNK-UHFFFAOYSA-N -1 1 315.260 3.173 20 5 DGBDMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001471800709 1183590973 /nfs/dbraw/zinc/59/09/73/1183590973.db2.gz NADCPPVWTNGPRU-SECBINFHSA-N -1 1 320.732 3.445 20 5 DGBDMM Cc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001610494656 1193393089 /nfs/dbraw/zinc/39/30/89/1193393089.db2.gz DOMHZLNIHXBDCT-MRXNPFEDSA-N -1 1 314.341 3.127 20 5 DGBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc12 ZINC001557837747 1189087665 /nfs/dbraw/zinc/08/76/65/1189087665.db2.gz RHDMWWBLLREAKK-UHFFFAOYSA-N -1 1 311.297 3.337 20 5 DGBDMM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001633822619 1194457762 /nfs/dbraw/zinc/45/77/62/1194457762.db2.gz YXGMGRFQXXYJRG-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CCCC1(CCC)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001633835053 1194459076 /nfs/dbraw/zinc/45/90/76/1194459076.db2.gz KQKIEDDIJUCXSJ-UHFFFAOYSA-N -1 1 321.377 3.270 20 5 DGBDMM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1c([O-])cccc1F ZINC001641035181 1194836864 /nfs/dbraw/zinc/83/68/64/1194836864.db2.gz HAGDVQMZNZBBQS-UHFFFAOYSA-N -1 1 322.267 3.150 20 5 DGBDMM O=c1nc(Cl)cc(Oc2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC001642153903 1194890466 /nfs/dbraw/zinc/89/04/66/1194890466.db2.gz CRBDJAATCJROIP-UHFFFAOYSA-N -1 1 302.073 3.190 20 5 DGBDMM CC(C)(C(=O)Nc1cccc(F)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001642769229 1194937173 /nfs/dbraw/zinc/93/71/73/1194937173.db2.gz PTHNFZBDGIUNRI-UHFFFAOYSA-N -1 1 318.304 3.356 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001642772780 1194937516 /nfs/dbraw/zinc/93/75/16/1194937516.db2.gz QVSTXYLCZUGKFX-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001644052335 1195078128 /nfs/dbraw/zinc/07/81/28/1195078128.db2.gz RLZTUKIYKYKPFQ-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964260 948916709 /nfs/dbraw/zinc/91/67/09/948916709.db2.gz JXAYMBDFQKJHLO-NSHDSACASA-N -1 1 312.753 3.077 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001648851143 1081943555 /nfs/dbraw/zinc/94/35/55/1081943555.db2.gz WNVRDEQLFPSHAB-RYUDHWBXSA-N -1 1 316.288 3.182 20 5 DGBDMM CSc1cc(O)ccc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001297483821 1091896843 /nfs/dbraw/zinc/89/68/43/1091896843.db2.gz JVBZSKDVWVXCHY-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM Nc1ccc(Nc2nc3c(cccc3[O-])s2)cc1[N+](=O)[O-] ZINC001209931708 1092984556 /nfs/dbraw/zinc/98/45/56/1092984556.db2.gz CKWPAPJMLATQAL-UHFFFAOYSA-N -1 1 302.315 3.236 20 5 DGBDMM O=c1oc2cc([O-])ccc2cc1Nc1cccc([N+](=O)[O-])c1F ZINC001210380701 1093148028 /nfs/dbraw/zinc/14/80/28/1093148028.db2.gz HLISDSQEYPCSHD-UHFFFAOYSA-N -1 1 316.244 3.290 20 5 DGBDMM COC(=O)c1cc(C)sc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393779 1093152163 /nfs/dbraw/zinc/15/21/63/1093152163.db2.gz YYOXXCDWUOPLGS-UHFFFAOYSA-N -1 1 308.315 3.201 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cncc(N3CCCC3)c2)ccc1[O-] ZINC001210396215 1093153294 /nfs/dbraw/zinc/15/32/94/1093153294.db2.gz NUNFAEGMSACVEF-UHFFFAOYSA-N -1 1 300.318 3.039 20 5 DGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(CC2CCC2)n1 ZINC001210396770 1093153332 /nfs/dbraw/zinc/15/33/32/1093153332.db2.gz ZSOAQWYPJIEGIZ-UHFFFAOYSA-N -1 1 302.334 3.349 20 5 DGBDMM Cc1cc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)no1 ZINC001120860376 1094541973 /nfs/dbraw/zinc/54/19/73/1094541973.db2.gz CFLRDICABYQWEP-UHFFFAOYSA-N -1 1 315.207 3.162 20 5 DGBDMM O=c1cc[n-]c(O[C@@H]2CCCc3c(Cl)ccnc32)c1[N+](=O)[O-] ZINC001225664315 1096498322 /nfs/dbraw/zinc/49/83/22/1096498322.db2.gz NAGHWCOSGQNMNN-LLVKDONJSA-N -1 1 321.720 3.200 20 5 DGBDMM O=c1cc[n-]c(O[C@@H]2CCc3c2cc(F)cc3F)c1[N+](=O)[O-] ZINC001225664536 1096499120 /nfs/dbraw/zinc/49/91/20/1096499120.db2.gz QJZULMARFRXQHE-GFCCVEGCSA-N -1 1 308.240 3.040 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC001171632819 1096931043 /nfs/dbraw/zinc/93/10/43/1096931043.db2.gz QWOVRBAKXIEZRK-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1ccc(C)c2c1CCC[C@@H]2Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141722 1097061411 /nfs/dbraw/zinc/06/14/11/1097061411.db2.gz TYZGYKRTJUODKR-LBPRGKRZSA-N -1 1 315.329 3.164 20 5 DGBDMM C[C@@H]1CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860906 1097205010 /nfs/dbraw/zinc/20/50/10/1097205010.db2.gz XSYHVIFVXJOKDJ-RQJHMYQMSA-N -1 1 306.240 3.282 20 5 DGBDMM COC(=O)c1ccc([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229397901 1097313051 /nfs/dbraw/zinc/31/30/51/1097313051.db2.gz OAHZTFZITFFIAM-SNVBAGLBSA-N -1 1 317.297 3.227 20 5 DGBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CC4(COC4)C3)ccc12 ZINC001229516508 1097337315 /nfs/dbraw/zinc/33/73/15/1097337315.db2.gz JWCOQJDMFOOLCC-UHFFFAOYSA-N -1 1 324.332 3.210 20 5 DGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CCCOC3)ccc21 ZINC001229516559 1097337327 /nfs/dbraw/zinc/33/73/27/1097337327.db2.gz KDXIKNVVINJRGT-ZDUSSCGKSA-N -1 1 312.321 3.210 20 5 DGBDMM COC[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515775 1097337656 /nfs/dbraw/zinc/33/76/56/1097337656.db2.gz GFBFUPYBOOVKJQ-JTQLQIEISA-N -1 1 300.310 3.066 20 5 DGBDMM CC(C)OCCOc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518205 1097338332 /nfs/dbraw/zinc/33/83/32/1097338332.db2.gz RTIDYQKVSXNHAF-UHFFFAOYSA-N -1 1 314.337 3.456 20 5 DGBDMM CCOC[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518700 1097338483 /nfs/dbraw/zinc/33/84/83/1097338483.db2.gz VBSNALICVKLRAH-LLVKDONJSA-N -1 1 314.337 3.456 20 5 DGBDMM Cc1cc([O-])c(O[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC001229749632 1097376336 /nfs/dbraw/zinc/37/63/36/1097376336.db2.gz GCSOVDQVGKYMTI-INIZCTEOSA-N -1 1 301.298 3.259 20 5 DGBDMM Cc1cc([O-])c(OC[C@@H]2CC[C@]3(CCCCO3)O2)cc1[N+](=O)[O-] ZINC001229754084 1097377549 /nfs/dbraw/zinc/37/75/49/1097377549.db2.gz MDHCAWILMDRHRB-LRDDRELGSA-N -1 1 323.345 3.063 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCc3cccc(C)c32)n1 ZINC001231259788 1097705802 /nfs/dbraw/zinc/70/58/02/1097705802.db2.gz PQFWKQCCORQJLZ-CYBMUJFWSA-N -1 1 300.314 3.379 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCc3cccc(C)c32)n1 ZINC001231259789 1097705979 /nfs/dbraw/zinc/70/59/79/1097705979.db2.gz PQFWKQCCORQJLZ-ZDUSSCGKSA-N -1 1 300.314 3.379 20 5 DGBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@H]3C=CCC3)c12 ZINC001234749098 1098660215 /nfs/dbraw/zinc/66/02/15/1098660215.db2.gz XTOIPPFFJWVMCP-LBPRGKRZSA-N -1 1 310.305 3.455 20 5 DGBDMM COc1cc([O-])c(-c2nc3cc(C)cc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC001251778333 1105694032 /nfs/dbraw/zinc/69/40/32/1105694032.db2.gz COFCUJMKBXCHCJ-UHFFFAOYSA-N -1 1 313.313 3.469 20 5 DGBDMM CC(C)(C)c1ccc(-c2nnc(-c3[n-]cnc3[N+](=O)[O-])o2)cc1 ZINC001252831598 1105838212 /nfs/dbraw/zinc/83/82/12/1105838212.db2.gz JUSQUYGUEZDARN-UHFFFAOYSA-N -1 1 313.317 3.332 20 5 DGBDMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000431440064 238102612 /nfs/dbraw/zinc/10/26/12/238102612.db2.gz YIQAUFLIODFEGM-UHFFFAOYSA-N -1 1 312.285 3.194 20 5 DGBDMM Cc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000128402993 284374422 /nfs/dbraw/zinc/37/44/22/284374422.db2.gz IPGNLKLFZANSEU-JTQLQIEISA-N -1 1 318.304 3.239 20 5 DGBDMM O=c1[n-]c(-c2ccc([N+](=O)[O-])s2)nc2cc(F)c(F)cc12 ZINC000345687767 285104907 /nfs/dbraw/zinc/10/49/07/285104907.db2.gz GBZGJUCOQNVRDM-UHFFFAOYSA-N -1 1 309.253 3.250 20 5 DGBDMM O=C(Nc1cc(Cl)ccc1NC1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343766976 254185624 /nfs/dbraw/zinc/18/56/24/254185624.db2.gz LYEVEORCJLSCNF-UHFFFAOYSA-N -1 1 320.736 3.403 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(CCCc3ccsc3)no2)[n-]1 ZINC000357477416 285770674 /nfs/dbraw/zinc/77/06/74/285770674.db2.gz DSPFIBRMZRMEED-UHFFFAOYSA-N -1 1 304.331 3.210 20 5 DGBDMM CCO[C@@H]1C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000092040716 400150391 /nfs/dbraw/zinc/15/03/91/400150391.db2.gz MPXAGXAAAJBULM-JKSUJKDBSA-N -1 1 320.389 3.080 20 5 DGBDMM CC(C)(C)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000068071656 400228891 /nfs/dbraw/zinc/22/88/91/400228891.db2.gz YDNFNEYMGBEWTH-UHFFFAOYSA-N -1 1 324.337 3.135 20 5 DGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444736 400685478 /nfs/dbraw/zinc/68/54/78/400685478.db2.gz ROTFFLKPAVQSQU-LBPRGKRZSA-N -1 1 312.753 3.077 20 5 DGBDMM Cc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000613512038 400740254 /nfs/dbraw/zinc/74/02/54/400740254.db2.gz GCBMVDPWSKGFBX-SNVBAGLBSA-N -1 1 318.304 3.239 20 5 DGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000619668196 400881282 /nfs/dbraw/zinc/88/12/82/400881282.db2.gz METOQRQOAQJSBQ-UHFFFAOYSA-N -1 1 318.354 3.273 20 5 DGBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1c(F)ccc(F)c1F ZINC000361838046 286732951 /nfs/dbraw/zinc/73/29/51/286732951.db2.gz PLUYFUPPBFSZPH-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM CSc1cccc(C(=O)[N-]c2c(C)noc2C)c1[N+](=O)[O-] ZINC000362763513 286860096 /nfs/dbraw/zinc/86/00/96/286860096.db2.gz SWLIGHVNSPNUIT-UHFFFAOYSA-N -1 1 307.331 3.174 20 5 DGBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000031555901 431762692 /nfs/dbraw/zinc/76/26/92/431762692.db2.gz RNCLHFLUTIQFTK-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CC(C)(C)c1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000048665417 431930184 /nfs/dbraw/zinc/93/01/84/431930184.db2.gz XIIMYDSWTQUFAQ-UHFFFAOYSA-N -1 1 312.376 3.058 20 5 DGBDMM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000270786217 432289083 /nfs/dbraw/zinc/28/90/83/432289083.db2.gz BFTHUTKZEDAMTH-UHFFFAOYSA-N -1 1 321.308 3.492 20 5 DGBDMM COc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000192810008 432416610 /nfs/dbraw/zinc/41/66/10/432416610.db2.gz DZNNVKBHUGRXOH-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CC(C)(CCc1nc(-c2ccc([O-])cc2Cl)no1)[N+](=O)[O-] ZINC000296979865 432944342 /nfs/dbraw/zinc/94/43/42/432944342.db2.gz RXJFRVYEWMAMSD-UHFFFAOYSA-N -1 1 311.725 3.084 20 5 DGBDMM CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299178253 433340738 /nfs/dbraw/zinc/34/07/38/433340738.db2.gz XYBXWXKBLRREEB-UHFFFAOYSA-N -1 1 303.318 3.354 20 5 DGBDMM Cc1[nH]c2ccccc2c1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356478778 433580159 /nfs/dbraw/zinc/58/01/59/433580159.db2.gz PEGVOTIEONJZHH-UHFFFAOYSA-N -1 1 323.312 3.353 20 5 DGBDMM CC(C)c1[nH]nc(C(=O)Nc2cc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000436782552 434109677 /nfs/dbraw/zinc/10/96/77/434109677.db2.gz CUABRVNMXAYUTH-UHFFFAOYSA-N -1 1 324.724 3.053 20 5 DGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1[O-] ZINC000436813042 434116364 /nfs/dbraw/zinc/11/63/64/434116364.db2.gz CNBLCWNEWLNOJF-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000346228131 434218539 /nfs/dbraw/zinc/21/85/39/434218539.db2.gz BXFOASGCOGWCDH-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)[n-]1 ZINC000340744792 434333660 /nfs/dbraw/zinc/33/36/60/434333660.db2.gz WYMBPXGKLITICI-UHFFFAOYSA-N -1 1 308.656 3.432 20 5 DGBDMM COc1ccc([N+](=O)[O-])cc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000538516131 435505050 /nfs/dbraw/zinc/50/50/50/435505050.db2.gz JNSXEFSSAIJOMB-UHFFFAOYSA-N -1 1 321.358 3.008 20 5 DGBDMM COc1cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)ccc1O ZINC000077256593 341221725 /nfs/dbraw/zinc/22/17/25/341221725.db2.gz UQAJVJZOICQPPZ-UHFFFAOYSA-N -1 1 318.332 3.458 20 5 DGBDMM CCNc1cnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cn1 ZINC000352205826 528437223 /nfs/dbraw/zinc/43/72/23/528437223.db2.gz IUARESWXNUSVJC-UHFFFAOYSA-N -1 1 317.352 3.377 20 5 DGBDMM CC(C)c1ocnc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000731966687 574563995 /nfs/dbraw/zinc/56/39/95/574563995.db2.gz QILBWGJIQJVBPB-UHFFFAOYSA-N -1 1 311.244 3.237 20 5 DGBDMM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000740132235 574925041 /nfs/dbraw/zinc/92/50/41/574925041.db2.gz IANJLGNZPITFLR-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000111667028 620746074 /nfs/dbraw/zinc/74/60/74/620746074.db2.gz GORGXZZRGDDRTH-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000769045963 622494393 /nfs/dbraw/zinc/49/43/93/622494393.db2.gz FFFKPSQVFKIFBM-QMMMGPOBSA-N -1 1 323.251 3.497 20 5 DGBDMM CCCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)co1 ZINC000800822744 626377543 /nfs/dbraw/zinc/37/75/43/626377543.db2.gz DEZDRYNJVCVMIS-UHFFFAOYSA-N -1 1 311.244 3.066 20 5 DGBDMM O=C(OCC[C@H]1CC1(Cl)Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000820447835 628259747 /nfs/dbraw/zinc/25/97/47/628259747.db2.gz YWVOFMSJNJQFOM-QMMMGPOBSA-N -1 1 320.128 3.041 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N(C)C(=O)[O-])CC1 ZINC000833907062 629659643 /nfs/dbraw/zinc/65/96/43/629659643.db2.gz AGBLOCSVTLUIIO-GFCCVEGCSA-N -1 1 321.377 3.038 20 5 DGBDMM C[C@@]1(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1(Cl)Cl ZINC000834875742 629795080 /nfs/dbraw/zinc/79/50/80/629795080.db2.gz AQEDHESTUNXXJF-SNVBAGLBSA-N -1 1 317.132 3.099 20 5 DGBDMM O=[N+]([O-])c1c(NCC2CCCCCC2)cccc1-c1nnn[n-]1 ZINC001582802061 1192109098 /nfs/dbraw/zinc/10/90/98/1192109098.db2.gz IROCQAOHAGSJTK-UHFFFAOYSA-N -1 1 316.365 3.157 20 5 DGBDMM O=[N+]([O-])c1c(NCC2CCCCCC2)cccc1-c1nn[n-]n1 ZINC001582802061 1192109101 /nfs/dbraw/zinc/10/91/01/1192109101.db2.gz IROCQAOHAGSJTK-UHFFFAOYSA-N -1 1 316.365 3.157 20 5 DGBDMM CC1(C)CCC[C@H]1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590096524 1192489523 /nfs/dbraw/zinc/48/95/23/1192489523.db2.gz PKHYBFBUWYYWOM-QMMMGPOBSA-N -1 1 322.394 3.075 20 5 DGBDMM CC1(C)CCC[C@H]1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590096524 1192489526 /nfs/dbraw/zinc/48/95/26/1192489526.db2.gz PKHYBFBUWYYWOM-QMMMGPOBSA-N -1 1 322.394 3.075 20 5 DGBDMM CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590406950 1192506616 /nfs/dbraw/zinc/50/66/16/1192506616.db2.gz VENXAKSFUKNVKF-UWVGGRQHSA-N -1 1 304.354 3.012 20 5 DGBDMM CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590406950 1192506618 /nfs/dbraw/zinc/50/66/18/1192506618.db2.gz VENXAKSFUKNVKF-UWVGGRQHSA-N -1 1 304.354 3.012 20 5 DGBDMM Cc1cc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1F ZINC001592062411 1192590995 /nfs/dbraw/zinc/59/09/95/1192590995.db2.gz IUEHVBCRXAVZGG-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM Cc1cc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1F ZINC001592062411 1192591002 /nfs/dbraw/zinc/59/10/02/1192591002.db2.gz IUEHVBCRXAVZGG-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM CC(C)(C)C1CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603062820 1193005990 /nfs/dbraw/zinc/00/59/90/1193005990.db2.gz SXCQPRQGPUJQHB-UHFFFAOYSA-N -1 1 316.365 3.012 20 5 DGBDMM CC(C)(C)C1CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603062820 1193005992 /nfs/dbraw/zinc/00/59/92/1193005992.db2.gz SXCQPRQGPUJQHB-UHFFFAOYSA-N -1 1 316.365 3.012 20 5 DGBDMM CC(C)=CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603186691 1193009615 /nfs/dbraw/zinc/00/96/15/1193009615.db2.gz YOTJJNAGVWNUKI-SECBINFHSA-N -1 1 322.394 3.383 20 5 DGBDMM CC(C)=CCC[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603186691 1193009622 /nfs/dbraw/zinc/00/96/22/1193009622.db2.gz YOTJJNAGVWNUKI-SECBINFHSA-N -1 1 322.394 3.383 20 5 DGBDMM CC[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604001412 1193042747 /nfs/dbraw/zinc/04/27/47/1193042747.db2.gz UDTGKHAKUSAEQA-ZJUUUORDSA-N -1 1 304.354 3.012 20 5 DGBDMM CC[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604001406 1193042840 /nfs/dbraw/zinc/04/28/40/1193042840.db2.gz UDTGKHAKUSAEQA-NXEZZACHSA-N -1 1 304.354 3.012 20 5 DGBDMM CCc1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC001604525299 1193078043 /nfs/dbraw/zinc/07/80/43/1193078043.db2.gz YLQTVNHJXORBAS-UHFFFAOYSA-N -1 1 324.344 3.389 20 5 DGBDMM CCc1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC001604525299 1193078049 /nfs/dbraw/zinc/07/80/49/1193078049.db2.gz YLQTVNHJXORBAS-UHFFFAOYSA-N -1 1 324.344 3.389 20 5 DGBDMM CC[C@@H](NCc1occc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605748571 1193169117 /nfs/dbraw/zinc/16/91/17/1193169117.db2.gz RHCLZCZNLLYAMC-CYBMUJFWSA-N -1 1 304.302 3.127 20 5 DGBDMM O=[N+]([O-])c1ccc(NCCC2=CCCCC2)cc1-c1nnn[n-]1 ZINC001607082711 1193211300 /nfs/dbraw/zinc/21/13/00/1193211300.db2.gz TULFNBHQXWJJHP-UHFFFAOYSA-N -1 1 314.349 3.077 20 5 DGBDMM O=[N+]([O-])c1ccc(NCCC2=CCCCC2)cc1-c1nn[n-]n1 ZINC001607082711 1193211305 /nfs/dbraw/zinc/21/13/05/1193211305.db2.gz TULFNBHQXWJJHP-UHFFFAOYSA-N -1 1 314.349 3.077 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001560138261 1189282930 /nfs/dbraw/zinc/28/29/30/1189282930.db2.gz PHHCNBDDBLAXGZ-QAPCUYQASA-N -1 1 310.353 3.074 20 5 DGBDMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1 ZINC001570464933 1190864725 /nfs/dbraw/zinc/86/47/25/1190864725.db2.gz VWQWYKLOXFEEFH-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM C[C@H](NCc1ccc([O-])c(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001621509404 1193851700 /nfs/dbraw/zinc/85/17/00/1193851700.db2.gz RLIUHGLACJZEAG-VIFPVBQESA-N -1 1 308.284 3.429 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001623997374 1193976090 /nfs/dbraw/zinc/97/60/90/1193976090.db2.gz NHJBCJWLLIWHLF-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM CC(C)CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC001629177329 1194218123 /nfs/dbraw/zinc/21/81/23/1194218123.db2.gz PECLLVZCRASAFG-ZDUSSCGKSA-N -1 1 323.393 3.276 20 5 DGBDMM O=C(Nc1ccc2ccnc(Cl)c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001638444107 1194719351 /nfs/dbraw/zinc/71/93/51/1194719351.db2.gz XTHDELXSULFHIM-UHFFFAOYSA-N -1 1 316.704 3.377 20 5 DGBDMM Cc1c(CC(=O)Nc2ccc([O-])c(F)c2F)cccc1[N+](=O)[O-] ZINC001640613601 1194821814 /nfs/dbraw/zinc/82/18/14/1194821814.db2.gz ZUQWYPKBSXGTAR-UHFFFAOYSA-N -1 1 322.267 3.068 20 5 DGBDMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC001640613577 1194822086 /nfs/dbraw/zinc/82/20/86/1194822086.db2.gz ZCGQCRXGPHUSJN-QMMMGPOBSA-N -1 1 322.267 3.321 20 5 DGBDMM O=C([O-])C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964259 948916646 /nfs/dbraw/zinc/91/66/46/948916646.db2.gz JXAYMBDFQKJHLO-LLVKDONJSA-N -1 1 312.753 3.077 20 5 DGBDMM COc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c([O-])c1 ZINC001138281997 1091130755 /nfs/dbraw/zinc/13/07/55/1091130755.db2.gz YNVQKHLRWAFOKI-UHFFFAOYSA-N -1 1 320.276 3.009 20 5 DGBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cc([O-])c(F)cc1F ZINC001141831835 1092345693 /nfs/dbraw/zinc/34/56/93/1092345693.db2.gz XNHWFYGYLIOJGD-UTCJRWHESA-N -1 1 320.251 3.231 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccc(OC(F)(F)F)nc2)ccc1[O-] ZINC001210396729 1093153524 /nfs/dbraw/zinc/15/35/24/1093153524.db2.gz XVHQJKMOFGYQEU-UHFFFAOYSA-N -1 1 315.207 3.338 20 5 DGBDMM O=[N+]([O-])c1ccc(F)c([N-]c2nnccc2C(F)(F)F)c1F ZINC001215292140 1093952390 /nfs/dbraw/zinc/95/23/90/1093952390.db2.gz ORJSHTNHZIDUDN-UHFFFAOYSA-N -1 1 320.177 3.425 20 5 DGBDMM O=c1cc[n-]c(O[C@@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001225665470 1096498131 /nfs/dbraw/zinc/49/81/31/1096498131.db2.gz AIEGNSQFHIDVJO-INIZCTEOSA-N -1 1 323.308 3.259 20 5 DGBDMM O=[N+]([O-])c1c([O-])ccnc1O[C@@H](c1ccccc1)c1ccccn1 ZINC001225665470 1096498136 /nfs/dbraw/zinc/49/81/36/1096498136.db2.gz AIEGNSQFHIDVJO-INIZCTEOSA-N -1 1 323.308 3.259 20 5 DGBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001228144901 1097061269 /nfs/dbraw/zinc/06/12/69/1097061269.db2.gz XLKHZWRCFIHLAX-JTQLQIEISA-N -1 1 311.297 3.384 20 5 DGBDMM Cc1ccc(C)c2c1CCC[C@H]2Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141721 1097061714 /nfs/dbraw/zinc/06/17/14/1097061714.db2.gz TYZGYKRTJUODKR-GFCCVEGCSA-N -1 1 315.329 3.164 20 5 DGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C1CCC1 ZINC001228861876 1097206575 /nfs/dbraw/zinc/20/65/75/1097206575.db2.gz IIWWBSQUBARXJG-LURJTMIESA-N -1 1 306.240 3.282 20 5 DGBDMM Cc1nc(O[C@H]2CCc3ccc(Cl)cc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377369 1097309105 /nfs/dbraw/zinc/30/91/05/1097309105.db2.gz BHJJFNXMQCOMBN-NSHDSACASA-N -1 1 321.720 3.119 20 5 DGBDMM Cc1nc(O[C@H](C)c2csc(Cl)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380893 1097309920 /nfs/dbraw/zinc/30/99/20/1097309920.db2.gz MWHQKGRWJSJTQR-RXMQYKEDSA-N -1 1 315.738 3.254 20 5 DGBDMM Cc1ccc(OC[C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229394981 1097311885 /nfs/dbraw/zinc/31/18/85/1097311885.db2.gz DDDPPACPTLMIAL-LBPRGKRZSA-N -1 1 303.314 3.455 20 5 DGBDMM Cc1ccccc1OC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395996 1097312104 /nfs/dbraw/zinc/31/21/04/1097312104.db2.gz OSJJJZWDCKMGSZ-LBPRGKRZSA-N -1 1 303.314 3.455 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3c2nccc3Cl)c1 ZINC001229398689 1097312450 /nfs/dbraw/zinc/31/24/50/1097312450.db2.gz YHIWOSARWZKULJ-LBPRGKRZSA-N -1 1 306.705 3.415 20 5 DGBDMM Cc1cc([O-])c(OCc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC001229751490 1097376297 /nfs/dbraw/zinc/37/62/97/1097376297.db2.gz VLRHAZQHQPZYFU-UHFFFAOYSA-N -1 1 318.329 3.370 20 5 DGBDMM COc1ccc([C@@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cn1 ZINC001229750636 1097376587 /nfs/dbraw/zinc/37/65/87/1097376587.db2.gz PIBSOPCXIJDTPI-SNVBAGLBSA-N -1 1 304.302 3.152 20 5 DGBDMM COc1ccc([C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231259514 1097705213 /nfs/dbraw/zinc/70/52/13/1097705213.db2.gz NOESFZPQJBYXKH-SNVBAGLBSA-N -1 1 304.302 3.152 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccnc2Cl)n1 ZINC001231259482 1097705236 /nfs/dbraw/zinc/70/52/36/1097705236.db2.gz MRGQIBLPCGQLNL-QMMMGPOBSA-N -1 1 309.709 3.192 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2c(F)cccc2F)n1 ZINC001231259375 1097705455 /nfs/dbraw/zinc/70/54/55/1097705455.db2.gz KKVBLXAYOSJSJT-QMMMGPOBSA-N -1 1 310.256 3.422 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCc3cc(F)ccc32)n1 ZINC001231262361 1097707290 /nfs/dbraw/zinc/70/72/90/1097707290.db2.gz FTEUICBPLOANCB-ZDUSSCGKSA-N -1 1 304.277 3.209 20 5 DGBDMM C[C@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CCO1 ZINC001233505844 1098356364 /nfs/dbraw/zinc/35/63/64/1098356364.db2.gz IEKPUQCPPRSDDL-YUMQZZPRSA-N -1 1 311.725 3.071 20 5 DGBDMM Cc1c(C(=O)Nc2cc(F)cc(F)c2[O-])cccc1[N+](=O)[O-] ZINC001299580173 1107127032 /nfs/dbraw/zinc/12/70/32/1107127032.db2.gz MSIFWYJDGGHOAT-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM CCc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1[N+](=O)[O-] ZINC001302486280 1111116091 /nfs/dbraw/zinc/11/60/91/1111116091.db2.gz PEVBQWKXBNLUJC-UHFFFAOYSA-N -1 1 304.277 3.254 20 5 DGBDMM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2O1 ZINC000276881366 213151724 /nfs/dbraw/zinc/15/17/24/213151724.db2.gz GDLCSNSDFFZHIH-HNNXBMFYSA-N -1 1 317.301 3.073 20 5 DGBDMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000427655751 284270694 /nfs/dbraw/zinc/27/06/94/284270694.db2.gz SWEZZHJBURSHKX-UHFFFAOYSA-N -1 1 311.341 3.153 20 5 DGBDMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2OC)c(=O)c1CC ZINC000601935710 400380068 /nfs/dbraw/zinc/38/00/68/400380068.db2.gz MCTMOGXBLGRDRP-NSHDSACASA-N -1 1 305.334 3.132 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCc4ccccc4C3)no2)[n-]1 ZINC000612952199 400632914 /nfs/dbraw/zinc/63/29/14/400632914.db2.gz YEPSHPPRGAJKQO-GFCCVEGCSA-N -1 1 310.313 3.245 20 5 DGBDMM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000346382319 264023308 /nfs/dbraw/zinc/02/33/08/264023308.db2.gz KQBRAFXHODUFHH-UHFFFAOYSA-N -1 1 306.297 3.135 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCc4ccccc43)no2)[n-]1 ZINC000355890063 266220403 /nfs/dbraw/zinc/22/04/03/266220403.db2.gz LAUXMZLQENSZBV-GFCCVEGCSA-N -1 1 310.313 3.441 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)[n-]1 ZINC000356101732 266282962 /nfs/dbraw/zinc/28/29/62/266282962.db2.gz QOYANGPEUHARQR-UHFFFAOYSA-N -1 1 314.345 3.441 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000014256193 431586695 /nfs/dbraw/zinc/58/66/95/431586695.db2.gz SOAWOBWLCJBKPR-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CC(C)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000054421239 431971632 /nfs/dbraw/zinc/97/16/32/431971632.db2.gz BWKADVNHFAOVPW-UHFFFAOYSA-N -1 1 324.337 3.036 20 5 DGBDMM CCCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000051163475 431950226 /nfs/dbraw/zinc/95/02/26/431950226.db2.gz DGFDYRTZVPPYBV-UHFFFAOYSA-N -1 1 320.798 3.105 20 5 DGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C2CC2)c1 ZINC000154166420 432479198 /nfs/dbraw/zinc/47/91/98/432479198.db2.gz PLUOAXJKSMVUCK-UHFFFAOYSA-N -1 1 317.301 3.030 20 5 DGBDMM CC(C)(C)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000265294831 432687265 /nfs/dbraw/zinc/68/72/65/432687265.db2.gz YTKZCIVSUYTCEY-UHFFFAOYSA-N -1 1 303.318 3.353 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1[O-] ZINC000446144580 434852065 /nfs/dbraw/zinc/85/20/65/434852065.db2.gz MQCVFQLYNWBGSR-UHFFFAOYSA-N -1 1 324.218 3.258 20 5 DGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000481972797 435448701 /nfs/dbraw/zinc/44/87/01/435448701.db2.gz NXTSAFMNMATVLL-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=C(Nc1cccc([O-])c1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000536465034 313762304 /nfs/dbraw/zinc/76/23/04/313762304.db2.gz XMQLCJJBCWQQJW-UHFFFAOYSA-N -1 1 315.260 3.173 20 5 DGBDMM O=C(Nc1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000536655173 313776628 /nfs/dbraw/zinc/77/66/28/313776628.db2.gz MNQQNKRPRVEYQH-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000544555813 314198803 /nfs/dbraw/zinc/19/88/03/314198803.db2.gz MVSZXGKMLLZLGH-MRVPVSSYSA-N -1 1 322.267 3.321 20 5 DGBDMM CCCc1cc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)no1 ZINC000297602926 528593738 /nfs/dbraw/zinc/59/37/38/528593738.db2.gz ASSUDYLZLXLRMP-UHFFFAOYSA-N -1 1 307.281 3.235 20 5 DGBDMM CCCCN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000730557047 574531861 /nfs/dbraw/zinc/53/18/61/574531861.db2.gz VMCCLKGOFDKZNM-UHFFFAOYSA-N -1 1 316.361 3.412 20 5 DGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(Cc1ccco1)c1ccccc1 ZINC000732071991 574566071 /nfs/dbraw/zinc/56/60/71/574566071.db2.gz BYSFZRCLJJRISD-UHFFFAOYSA-N -1 1 311.297 3.363 20 5 DGBDMM CNc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000732309611 574571528 /nfs/dbraw/zinc/57/15/28/574571528.db2.gz PEVKXHSOPXFVCC-UHFFFAOYSA-N -1 1 321.720 3.248 20 5 DGBDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000749282560 575642110 /nfs/dbraw/zinc/64/21/10/575642110.db2.gz ZJBAODYLLAGPBV-QMMMGPOBSA-N -1 1 323.251 3.497 20 5 DGBDMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000901426425 619499440 /nfs/dbraw/zinc/49/94/40/619499440.db2.gz JFUFBTQLOPMDIV-UHFFFAOYSA-N -1 1 320.370 3.230 20 5 DGBDMM CCN(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000901426127 619499455 /nfs/dbraw/zinc/49/94/55/619499455.db2.gz BRIWKAJXPMQWOK-UHFFFAOYSA-N -1 1 320.370 3.230 20 5 DGBDMM CCc1noc(C)c1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000755153426 621556125 /nfs/dbraw/zinc/55/61/25/621556125.db2.gz VUJVTMYGJYTEGM-UHFFFAOYSA-N -1 1 309.709 3.359 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000768258221 622447432 /nfs/dbraw/zinc/44/74/32/622447432.db2.gz KLQXIZLAUJIIDY-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C3CC3)s2)c1F ZINC000790111086 625604480 /nfs/dbraw/zinc/60/44/80/625604480.db2.gz KSFCJOCVHLSYBS-UHFFFAOYSA-N -1 1 322.321 3.024 20 5 DGBDMM Cc1c(COC(=O)c2ccc([O-])cc2F)cccc1[N+](=O)[O-] ZINC000773570822 623047017 /nfs/dbraw/zinc/04/70/17/623047017.db2.gz CZNCBEVPRQGXMK-UHFFFAOYSA-N -1 1 305.261 3.105 20 5 DGBDMM O=C(OCCCc1ccsc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000783169818 624319115 /nfs/dbraw/zinc/31/91/15/624319115.db2.gz GZCKCUVJBLIWTN-UHFFFAOYSA-N -1 1 307.327 3.152 20 5 DGBDMM COc1cccc([C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000784213222 624455874 /nfs/dbraw/zinc/45/58/74/624455874.db2.gz DLCLIWVTFIWBJY-JTQLQIEISA-N -1 1 317.297 3.227 20 5 DGBDMM CCC[C@H](CC)SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840207128 627042097 /nfs/dbraw/zinc/04/20/97/627042097.db2.gz KYRNENLYUMRZFR-ZDUSSCGKSA-N -1 1 324.402 3.163 20 5 DGBDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000827718430 628985612 /nfs/dbraw/zinc/98/56/12/628985612.db2.gz RUKAWXSIYDPCSW-MEBBXXQBSA-N -1 1 318.304 3.210 20 5 DGBDMM CC(C)C(C)(C)Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589425640 1192464951 /nfs/dbraw/zinc/46/49/51/1192464951.db2.gz YTHTUXPFJRQGOX-UHFFFAOYSA-N -1 1 307.379 3.302 20 5 DGBDMM CC(C)C(C)(C)Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589425640 1192464952 /nfs/dbraw/zinc/46/49/52/1192464952.db2.gz YTHTUXPFJRQGOX-UHFFFAOYSA-N -1 1 307.379 3.302 20 5 DGBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001589980863 1192481229 /nfs/dbraw/zinc/48/12/29/1192481229.db2.gz GAHPJAVNNQAUIN-MRVPVSSYSA-N -1 1 316.346 3.010 20 5 DGBDMM CC[C@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590513529 1192518520 /nfs/dbraw/zinc/51/85/20/1192518520.db2.gz WAYMJFXGYKGERV-DTWKUNHWSA-N -1 1 322.394 3.217 20 5 DGBDMM CC[C@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590513529 1192518521 /nfs/dbraw/zinc/51/85/21/1192518521.db2.gz WAYMJFXGYKGERV-DTWKUNHWSA-N -1 1 322.394 3.217 20 5 DGBDMM Cc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600371305 1192838346 /nfs/dbraw/zinc/83/83/46/1192838346.db2.gz DARKVRKHVTZPNC-SNVBAGLBSA-N -1 1 304.302 3.045 20 5 DGBDMM Cc1ccccc1[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001600570088 1192877134 /nfs/dbraw/zinc/87/71/34/1192877134.db2.gz OBIDSRSPXYPGBG-BLLLJJGKSA-N -1 1 314.341 3.380 20 5 DGBDMM CC(C)(C)CCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603072027 1193006408 /nfs/dbraw/zinc/00/64/08/1193006408.db2.gz WEJYOZZPXQJFCV-UHFFFAOYSA-N -1 1 310.383 3.075 20 5 DGBDMM CC(C)(C)CCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603072027 1193006410 /nfs/dbraw/zinc/00/64/10/1193006410.db2.gz WEJYOZZPXQJFCV-UHFFFAOYSA-N -1 1 310.383 3.075 20 5 DGBDMM CC(C)(NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001603681491 1193025873 /nfs/dbraw/zinc/02/58/73/1193025873.db2.gz BMWLHNMSLIYEEV-UHFFFAOYSA-N -1 1 314.341 3.318 20 5 DGBDMM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001603847358 1193034062 /nfs/dbraw/zinc/03/40/62/1193034062.db2.gz YHBLEKRPMCWWIJ-YUMQZZPRSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001603847358 1193034065 /nfs/dbraw/zinc/03/40/65/1193034065.db2.gz YHBLEKRPMCWWIJ-YUMQZZPRSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CCC[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603888653 1193037651 /nfs/dbraw/zinc/03/76/51/1193037651.db2.gz YLAOHIGFHKNCFX-GHMZBOCLSA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@@H]1CCC[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603888653 1193037654 /nfs/dbraw/zinc/03/76/54/1193037654.db2.gz YLAOHIGFHKNCFX-GHMZBOCLSA-N -1 1 316.365 3.013 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)s1 ZINC001354578864 1180842205 /nfs/dbraw/zinc/84/22/05/1180842205.db2.gz ZWKXVUDYBRGUMM-UHFFFAOYSA-N -1 1 302.233 3.326 20 5 DGBDMM CCc1cccc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001604531451 1193080358 /nfs/dbraw/zinc/08/03/58/1193080358.db2.gz KVVBSBAOUGZJPM-UHFFFAOYSA-N -1 1 317.330 3.191 20 5 DGBDMM CCc1cccc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001604531451 1193080365 /nfs/dbraw/zinc/08/03/65/1193080365.db2.gz KVVBSBAOUGZJPM-UHFFFAOYSA-N -1 1 317.330 3.191 20 5 DGBDMM Cc1ccc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc2c1C ZINC001454737591 1182352558 /nfs/dbraw/zinc/35/25/58/1182352558.db2.gz VOZPAVBCIRMZSO-UHFFFAOYSA-N -1 1 316.342 3.402 20 5 DGBDMM Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC001607709149 1193249677 /nfs/dbraw/zinc/24/96/77/1193249677.db2.gz FFQRNFOZPHISLI-UHFFFAOYSA-N -1 1 314.341 3.233 20 5 DGBDMM O=C(Nc1ccc(Nc2ccccc2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC001557583705 1189074265 /nfs/dbraw/zinc/07/42/65/1189074265.db2.gz VWTUYCLXWNIYDR-UHFFFAOYSA-N -1 1 323.312 3.314 20 5 DGBDMM CC[C@@H](NC(=O)c1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC001636457779 1194614275 /nfs/dbraw/zinc/61/42/75/1194614275.db2.gz VIZANHSPVFOPFX-CYBMUJFWSA-N -1 1 318.304 3.321 20 5 DGBDMM Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC001637194049 1194656839 /nfs/dbraw/zinc/65/68/39/1194656839.db2.gz CCLPKXUFYZFWOX-UHFFFAOYSA-N -1 1 323.308 3.288 20 5 DGBDMM Cc1cccc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c1[O-] ZINC001651109409 1195415406 /nfs/dbraw/zinc/41/54/06/1195415406.db2.gz OESCYQSKKPEIPF-UHFFFAOYSA-N -1 1 323.308 3.409 20 5 DGBDMM CCCCCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654403231 1195799801 /nfs/dbraw/zinc/79/98/01/1195799801.db2.gz KQEOKOVELDOQIW-UHFFFAOYSA-N -1 1 309.366 3.032 20 5 DGBDMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001654505637 1195811274 /nfs/dbraw/zinc/81/12/74/1195811274.db2.gz NKJJSCWUEZUITL-NWDGAFQWSA-N -1 1 321.377 3.030 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnccc2Br)ccc1[O-] ZINC001210394417 1093151471 /nfs/dbraw/zinc/15/14/71/1093151471.db2.gz VOLHHFKYJDZIKB-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(F)c1F ZINC001140653192 1091946698 /nfs/dbraw/zinc/94/66/98/1091946698.db2.gz YRJNVIRKFYFXBK-FPYGCLRLSA-N -1 1 320.251 3.231 20 5 DGBDMM CCOC(=O)c1ccsc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393337 1093151546 /nfs/dbraw/zinc/15/15/46/1093151546.db2.gz ZFEABJRPJZPFLO-UHFFFAOYSA-N -1 1 308.315 3.282 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnc(Cl)nc2Cl)ccc1[O-] ZINC001210393404 1093151649 /nfs/dbraw/zinc/15/16/49/1093151649.db2.gz SQKZVOBNTHSUTJ-UHFFFAOYSA-N -1 1 301.089 3.141 20 5 DGBDMM Nc1ccc(N(c2ccc([O-])c([N+](=O)[O-])c2)C2CCCC2)nc1 ZINC001210395709 1093153172 /nfs/dbraw/zinc/15/31/72/1093153172.db2.gz CMNYOHKMAXAEMA-UHFFFAOYSA-N -1 1 314.345 3.358 20 5 DGBDMM CC(=O)c1oc2cccnc2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396234 1093153760 /nfs/dbraw/zinc/15/37/60/1093153760.db2.gz OSCOOXGDSLTLCT-UHFFFAOYSA-N -1 1 313.269 3.388 20 5 DGBDMM CCCCC(=O)[C@@H](CCCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664456 1096499467 /nfs/dbraw/zinc/49/94/67/1096499467.db2.gz ONHKMSQZCJQGQF-CYBMUJFWSA-N -1 1 310.350 3.392 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228860644 1097205654 /nfs/dbraw/zinc/20/56/54/1097205654.db2.gz WRLZQXMVBCITFS-OOZYFLPDSA-N -1 1 316.235 3.058 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1 ZINC001229394670 1097311974 /nfs/dbraw/zinc/31/19/74/1097311974.db2.gz ASZMRVZSHSYRDD-GASCZTMLSA-N -1 1 315.325 3.427 20 5 DGBDMM Cc1ccc2c(c1)CC[C@@H]2Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259431 1097705118 /nfs/dbraw/zinc/70/51/18/1097705118.db2.gz LBEXWKIHAGMHBZ-AWEZNQCLSA-N -1 1 300.314 3.379 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)CCc2ccccc2)n1 ZINC001231259175 1097705405 /nfs/dbraw/zinc/70/54/05/1097705405.db2.gz GKZSENCLUYWCEO-LBPRGKRZSA-N -1 1 302.330 3.404 20 5 DGBDMM Cc1ccc2c(c1)CC[C@H]2Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259432 1097705765 /nfs/dbraw/zinc/70/57/65/1097705765.db2.gz LBEXWKIHAGMHBZ-CQSZACIVSA-N -1 1 300.314 3.379 20 5 DGBDMM COc1ccccc1[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259269 1097705853 /nfs/dbraw/zinc/70/58/53/1097705853.db2.gz ILVUFPZMDUDYPY-SNVBAGLBSA-N -1 1 304.302 3.152 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCc3c2nccc3Cl)n1 ZINC001231259049 1097705872 /nfs/dbraw/zinc/70/58/72/1097705872.db2.gz DQUOTYXZQDNGHW-NSHDSACASA-N -1 1 321.720 3.119 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCc3c2cccc3C)n1 ZINC001231259105 1097705965 /nfs/dbraw/zinc/70/59/65/1097705965.db2.gz GBMOUUWVMQUVHO-AWEZNQCLSA-N -1 1 300.314 3.379 20 5 DGBDMM CCC(=O)[C@@H](CC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498580 1098352062 /nfs/dbraw/zinc/35/20/62/1098352062.db2.gz MAIWOYHZIDROMY-GFCCVEGCSA-N -1 1 311.725 3.261 20 5 DGBDMM CC(C)[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234874957 1098692955 /nfs/dbraw/zinc/69/29/55/1098692955.db2.gz OSMPDGSIJXQJPA-SSDOTTSWSA-N -1 1 304.140 3.486 20 5 DGBDMM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1C(C)=O ZINC001201224942 1102534495 /nfs/dbraw/zinc/53/44/95/1102534495.db2.gz WUOPHPYNTZLDJV-UHFFFAOYSA-N -1 1 302.286 3.255 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nc3c(cc(Cl)cc3F)[nH]2)c([O-])cc1O ZINC001251086908 1105628180 /nfs/dbraw/zinc/62/81/80/1105628180.db2.gz HVCBAANUDIDKTC-UHFFFAOYSA-N -1 1 323.667 3.342 20 5 DGBDMM Cc1nn(-c2ccccc2)cc1[N-]c1ncc([N+](=O)[O-])cc1F ZINC001307095765 1111265138 /nfs/dbraw/zinc/26/51/38/1111265138.db2.gz RZOMSGPKXJQWHO-UHFFFAOYSA-N -1 1 313.292 3.367 20 5 DGBDMM Cc1noc(C)c1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340255133 282390828 /nfs/dbraw/zinc/39/08/28/282390828.db2.gz PIKXMQHBHILLFG-UHFFFAOYSA-N -1 1 301.258 3.198 20 5 DGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000120794003 284178705 /nfs/dbraw/zinc/17/87/05/284178705.db2.gz JMRCVKLLCPOHCY-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000128402753 284374444 /nfs/dbraw/zinc/37/44/44/284374444.db2.gz IPGNLKLFZANSEU-SNVBAGLBSA-N -1 1 318.304 3.239 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc4ccsc4c3)no2)[n-]1 ZINC000356839954 285516728 /nfs/dbraw/zinc/51/67/28/285516728.db2.gz RMPRLGADJHESIX-UHFFFAOYSA-N -1 1 313.298 3.250 20 5 DGBDMM Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000609522181 400173200 /nfs/dbraw/zinc/17/32/00/400173200.db2.gz WMPDHWBDDLZYMD-UHFFFAOYSA-N -1 1 316.342 3.402 20 5 DGBDMM Cc1ccc(C(C)(C)c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)nc1 ZINC000596620231 400460729 /nfs/dbraw/zinc/46/07/29/400460729.db2.gz NZQIPKJFOVZDGS-UHFFFAOYSA-N -1 1 313.317 3.002 20 5 DGBDMM CC(C)(C)c1nsc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000075444310 400586366 /nfs/dbraw/zinc/58/63/66/400586366.db2.gz WKQIHSBTSUIVDZ-UHFFFAOYSA-N -1 1 312.376 3.058 20 5 DGBDMM CC(C)Cn1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000078522036 400806569 /nfs/dbraw/zinc/80/65/69/400806569.db2.gz FZGZEAOOCYYZNY-UHFFFAOYSA-N -1 1 305.294 3.099 20 5 DGBDMM COc1ccc2nc(-c3ccc(C)c([N+](=O)[O-])c3)[n-]c(=O)c2c1 ZINC000362825241 286866367 /nfs/dbraw/zinc/86/63/67/286866367.db2.gz GBWQJYJBVXXBKW-UHFFFAOYSA-N -1 1 311.297 3.228 20 5 DGBDMM CSc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1[N+](=O)[O-] ZINC000188185665 165114286 /nfs/dbraw/zinc/11/42/86/165114286.db2.gz IGTXARSEPAFTIC-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445215690 275678749 /nfs/dbraw/zinc/67/87/49/275678749.db2.gz NBDXHXUOPPBHFY-YPMHNXCESA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000188593877 278743994 /nfs/dbraw/zinc/74/39/94/278743994.db2.gz KYFHTEFMCNAEAN-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC(C)C[C@H]1CCCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193655252 279203939 /nfs/dbraw/zinc/20/39/39/279203939.db2.gz UPYUDPMTEGWRDJ-CYBMUJFWSA-N -1 1 321.377 3.126 20 5 DGBDMM CSc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000074985006 431446773 /nfs/dbraw/zinc/44/67/73/431446773.db2.gz USPZMGZJDLUSOC-UHFFFAOYSA-N -1 1 324.383 3.118 20 5 DGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000014257036 431586389 /nfs/dbraw/zinc/58/63/89/431586389.db2.gz ZUAKVGWNQLTWDB-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000014253930 431588477 /nfs/dbraw/zinc/58/84/77/431588477.db2.gz XAHHTQJDBSVROA-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000078234624 431650029 /nfs/dbraw/zinc/65/00/29/431650029.db2.gz LNLUSJIZSDUCAQ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC(C)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263482546 432548516 /nfs/dbraw/zinc/54/85/16/432548516.db2.gz GQGNVNPIDXVQTP-MRXNPFEDSA-N -1 1 306.362 3.015 20 5 DGBDMM CCc1cc(=O)[n-]c(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000195062101 432598284 /nfs/dbraw/zinc/59/82/84/432598284.db2.gz GQOLBAPWRCNHTO-SNVBAGLBSA-N -1 1 319.386 3.402 20 5 DGBDMM O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298875609 433268504 /nfs/dbraw/zinc/26/85/04/433268504.db2.gz XSJBMZNSCKXDAY-UHFFFAOYSA-N -1 1 314.345 3.166 20 5 DGBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000299119769 433323234 /nfs/dbraw/zinc/32/32/34/433323234.db2.gz KUGKWCLSRHILML-UHFFFAOYSA-N -1 1 301.346 3.497 20 5 DGBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2ccco2)on1 ZINC000352189383 433965532 /nfs/dbraw/zinc/96/55/32/433965532.db2.gz FBQIFWBIZZMIOJ-UHFFFAOYSA-N -1 1 317.232 3.234 20 5 DGBDMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000348787711 434494974 /nfs/dbraw/zinc/49/49/74/434494974.db2.gz QDPZKDGVXUJWQY-JTQLQIEISA-N -1 1 303.318 3.353 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2ccncc2)C1 ZINC000451001836 434526179 /nfs/dbraw/zinc/52/61/79/434526179.db2.gz IRCKBTITPYEGPJ-CQSZACIVSA-N -1 1 313.357 3.075 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cc4ccccc4o3)no2)[n-]1 ZINC000341072857 434530697 /nfs/dbraw/zinc/53/06/97/434530697.db2.gz AJHROQNFWLMBRT-UHFFFAOYSA-N -1 1 310.269 3.310 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445459764 434803373 /nfs/dbraw/zinc/80/33/73/434803373.db2.gz HDAORGQIOBTSLZ-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1[O-] ZINC000492823236 435056648 /nfs/dbraw/zinc/05/66/48/435056648.db2.gz MMOBUJBKPSKOMV-DAXSKMNVSA-N -1 1 302.261 3.091 20 5 DGBDMM O=c1cc(C(F)F)nc(SCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000568803480 435472415 /nfs/dbraw/zinc/47/24/15/435472415.db2.gz QGSJEXVMFZUHJT-UHFFFAOYSA-N -1 1 313.285 3.320 20 5 DGBDMM CCC[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519489814 435683817 /nfs/dbraw/zinc/68/38/17/435683817.db2.gz VSGYDQRVWBHDNE-VIFPVBQESA-N -1 1 320.798 3.105 20 5 DGBDMM CCCC[C@@H](CCC)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994074 528787146 /nfs/dbraw/zinc/78/71/46/528787146.db2.gz CCARUKQYCBVVCQ-LLVKDONJSA-N -1 1 309.366 3.032 20 5 DGBDMM O=C([O-])C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000739640194 574909847 /nfs/dbraw/zinc/90/98/47/574909847.db2.gz UEPUGIDXXOITEL-LLVKDONJSA-N -1 1 312.753 3.077 20 5 DGBDMM CSc1ccncc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000750113789 575705205 /nfs/dbraw/zinc/70/52/05/575705205.db2.gz AFCSLLSSVVSFGJ-UHFFFAOYSA-N -1 1 307.306 3.103 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4cc[nH]n4)cc3)no2)[n-]1 ZINC000761612759 622020164 /nfs/dbraw/zinc/02/01/64/622020164.db2.gz DXIIAXFVVBAMRZ-UHFFFAOYSA-N -1 1 322.284 3.030 20 5 DGBDMM CCc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(OC)c1 ZINC000773532031 623041877 /nfs/dbraw/zinc/04/18/77/623041877.db2.gz GXVACMCCDMITDC-UHFFFAOYSA-N -1 1 317.297 3.091 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(F)c(F)cc1F ZINC000125329173 623428848 /nfs/dbraw/zinc/42/88/48/623428848.db2.gz RUKAUFCARQQBCN-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM Cc1nc(SCc2cc(F)ccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000776869932 623472549 /nfs/dbraw/zinc/47/25/49/623472549.db2.gz SGYHVPSEVUJVEG-UHFFFAOYSA-N -1 1 309.322 3.139 20 5 DGBDMM CCCc1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000780074175 623857616 /nfs/dbraw/zinc/85/76/16/623857616.db2.gz HHTDJEWYGADHKF-UHFFFAOYSA-N -1 1 322.342 3.066 20 5 DGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000780076907 623858412 /nfs/dbraw/zinc/85/84/12/623858412.db2.gz YTIICZZJRORERL-MRVPVSSYSA-N -1 1 323.251 3.497 20 5 DGBDMM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000788310366 625121664 /nfs/dbraw/zinc/12/16/64/625121664.db2.gz YPWZMMXJPNEMGC-UHFFFAOYSA-N -1 1 307.281 3.153 20 5 DGBDMM CCCc1cc(=O)[n-]c(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC000821690202 628390542 /nfs/dbraw/zinc/39/05/42/628390542.db2.gz YQKISCWAEOOZLE-SREVYHEPSA-N -1 1 307.331 3.399 20 5 DGBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]OC2CCCCC2)c1F ZINC000832547327 629495905 /nfs/dbraw/zinc/49/59/05/629495905.db2.gz FIJQNZQYEOIDCV-UHFFFAOYSA-N -1 1 314.288 3.176 20 5 DGBDMM C[C@]1(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000837583677 630279737 /nfs/dbraw/zinc/27/97/37/630279737.db2.gz PFKWGHFGFGIILA-LLVKDONJSA-N -1 1 320.128 3.041 20 5 DGBDMM CCC(C)(C)CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001576545121 1191845598 /nfs/dbraw/zinc/84/55/98/1191845598.db2.gz DDFLKUCNTQLWKY-UHFFFAOYSA-N -1 1 310.383 3.075 20 5 DGBDMM CCC(C)(C)CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001576545121 1191845618 /nfs/dbraw/zinc/84/56/18/1191845618.db2.gz DDFLKUCNTQLWKY-UHFFFAOYSA-N -1 1 310.383 3.075 20 5 DGBDMM CC(C)(C)C(C)(C)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589086062 1192456697 /nfs/dbraw/zinc/45/66/97/1192456697.db2.gz QGQDXKMGRCAHEP-UHFFFAOYSA-N -1 1 324.410 3.321 20 5 DGBDMM CC(C)(C)C(C)(C)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589086062 1192456704 /nfs/dbraw/zinc/45/67/04/1192456704.db2.gz QGQDXKMGRCAHEP-UHFFFAOYSA-N -1 1 324.410 3.321 20 5 DGBDMM CC[C@H](C)CSc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590410289 1192505145 /nfs/dbraw/zinc/50/51/45/1192505145.db2.gz QENVNHNJQVYIST-ZETCQYMHSA-N -1 1 311.342 3.052 20 5 DGBDMM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC001596328965 1192690368 /nfs/dbraw/zinc/69/03/68/1192690368.db2.gz UFBZGGOOWQHOOL-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM CCCCC1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001597318252 1192727916 /nfs/dbraw/zinc/72/79/16/1192727916.db2.gz OEUOIKYHVMWXTP-UHFFFAOYSA-N -1 1 321.377 3.174 20 5 DGBDMM CC(C)(C)CCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603071358 1193006828 /nfs/dbraw/zinc/00/68/28/1193006828.db2.gz LPJKNPCIMCSXMC-UHFFFAOYSA-N -1 1 318.381 3.403 20 5 DGBDMM CC(C)(C)CCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603071358 1193006830 /nfs/dbraw/zinc/00/68/30/1193006830.db2.gz LPJKNPCIMCSXMC-UHFFFAOYSA-N -1 1 318.381 3.403 20 5 DGBDMM CC1(C)CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603777555 1193031001 /nfs/dbraw/zinc/03/10/01/1193031001.db2.gz FKFZMOCAAWSDTR-SNVBAGLBSA-N -1 1 322.394 3.217 20 5 DGBDMM CC1(C)CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603777555 1193031003 /nfs/dbraw/zinc/03/10/03/1193031003.db2.gz FKFZMOCAAWSDTR-SNVBAGLBSA-N -1 1 322.394 3.217 20 5 DGBDMM CCCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001605227404 1193129931 /nfs/dbraw/zinc/12/99/31/1193129931.db2.gz YLAWLOQWUSVPJL-UHFFFAOYSA-N -1 1 306.362 3.305 20 5 DGBDMM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cccc(F)c1[O-] ZINC001471168163 1183543184 /nfs/dbraw/zinc/54/31/84/1183543184.db2.gz MKDNVBAWPJKTGD-UHFFFAOYSA-N -1 1 322.267 3.150 20 5 DGBDMM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001607422109 1193229988 /nfs/dbraw/zinc/22/99/88/1193229988.db2.gz LKZGLUQLBHXJCK-SNVBAGLBSA-N -1 1 318.304 3.283 20 5 DGBDMM C[C@H](NCc1ccccc1[N+](=O)[O-])c1cc(C(=O)[O-])cs1 ZINC001609781574 1193356358 /nfs/dbraw/zinc/35/63/58/1193356358.db2.gz OLILEXDISNTRFS-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM CCC[C@H]1CCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557027968 1189037046 /nfs/dbraw/zinc/03/70/46/1189037046.db2.gz FQIBXTDXGPGJOE-RYUDHWBXSA-N -1 1 321.377 3.032 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001558209466 1189109958 /nfs/dbraw/zinc/10/99/58/1189109958.db2.gz RNUZPTMMEJNLJL-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[O-] ZINC001624564033 1194003629 /nfs/dbraw/zinc/00/36/29/1194003629.db2.gz SQHONAUEOSSEQZ-UHFFFAOYSA-N -1 1 315.329 3.373 20 5 DGBDMM Cc1ccc([N-]C(=O)c2ocnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001629063279 1194212257 /nfs/dbraw/zinc/21/22/57/1194212257.db2.gz WBLPCOJRCKEECA-UHFFFAOYSA-N -1 1 315.207 3.162 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001632178456 1194375002 /nfs/dbraw/zinc/37/50/02/1194375002.db2.gz DPXNJGGAMNXLSX-UHFFFAOYSA-N -1 1 316.244 3.438 20 5 DGBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(F)c([O-])cc1Cl ZINC001636515809 1194618629 /nfs/dbraw/zinc/61/86/29/1194618629.db2.gz HCPRIRVDMCQPQI-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c([O-])cccc1Cl ZINC001637678196 1194681968 /nfs/dbraw/zinc/68/19/68/1194681968.db2.gz VRQXJWQTECFDCO-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1[O-] ZINC001638506893 1194721815 /nfs/dbraw/zinc/72/18/15/1194721815.db2.gz KSWOTSQWSZRTRW-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001641036053 1194836696 /nfs/dbraw/zinc/83/66/96/1194836696.db2.gz XQNUMKHCTVRKOW-NEPJUHHUSA-N -1 1 316.288 3.182 20 5 DGBDMM CCCc1cc(=O)[n-]c(SCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001652424807 1195595956 /nfs/dbraw/zinc/59/59/56/1195595956.db2.gz OGBDXKWFOOKGNQ-UHFFFAOYSA-N -1 1 319.386 3.378 20 5 DGBDMM C[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC001593194510 994136760 /nfs/dbraw/zinc/13/67/60/994136760.db2.gz ILCRJJGVBIARQJ-RNCFNFMXSA-N -1 1 306.343 3.133 20 5 DGBDMM O=C([N-]c1nocc1C1CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001133283883 1083091630 /nfs/dbraw/zinc/09/16/30/1083091630.db2.gz BDAOOYOPRSKQOW-UHFFFAOYSA-N -1 1 313.269 3.459 20 5 DGBDMM Cc1nc([N-][C@@H](c2ccccc2)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001159772316 1088477582 /nfs/dbraw/zinc/47/75/82/1088477582.db2.gz JLLDVAFHMYGJOG-NSHDSACASA-N -1 1 312.251 3.409 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cccc(Br)n2)ccc1[O-] ZINC001210392707 1093151630 /nfs/dbraw/zinc/15/16/30/1093151630.db2.gz LNRKFAXHLSVPDT-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cc(F)nc(F)c2Cl)ccc1[O-] ZINC001210394227 1093152049 /nfs/dbraw/zinc/15/20/49/1093152049.db2.gz SMDVCSCUBMOPDG-UHFFFAOYSA-N -1 1 301.636 3.371 20 5 DGBDMM O=c1[n-]cnc(OC2c3ccccc3-c3ccccc32)c1[N+](=O)[O-] ZINC001228142932 1097061452 /nfs/dbraw/zinc/06/14/52/1097061452.db2.gz IJLFZKKYUKHADO-UHFFFAOYSA-N -1 1 321.292 3.239 20 5 DGBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cc2ccccc2s1 ZINC001228144194 1097061781 /nfs/dbraw/zinc/06/17/81/1097061781.db2.gz STFOYTJKRQNDLF-QMMMGPOBSA-N -1 1 317.326 3.445 20 5 DGBDMM C[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001228859209 1097205004 /nfs/dbraw/zinc/20/50/04/1097205004.db2.gz JFKPUVDQTZIGIS-ZETCQYMHSA-N -1 1 315.227 3.182 20 5 DGBDMM COc1ccc([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC001229395288 1097311854 /nfs/dbraw/zinc/31/18/54/1097311854.db2.gz GSGITEZRJLWMSP-JTQLQIEISA-N -1 1 319.313 3.458 20 5 DGBDMM COc1cccc(OC[C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229395574 1097311904 /nfs/dbraw/zinc/31/19/04/1097311904.db2.gz JNOGVUNFRPMGGC-NSHDSACASA-N -1 1 319.313 3.155 20 5 DGBDMM COc1cccc2c1[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC001229395001 1097312194 /nfs/dbraw/zinc/31/21/94/1097312194.db2.gz DMTPUCAJYJZTHT-AWEZNQCLSA-N -1 1 317.297 3.212 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(OC(C(F)(F)F)C(F)(F)F)c1 ZINC001229398228 1097312365 /nfs/dbraw/zinc/31/23/65/1097312365.db2.gz RPPDIFKQQMOJPD-UHFFFAOYSA-N -1 1 305.130 3.172 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(OC[C@H]2CCc3ccccc3O2)c1 ZINC001229398165 1097312763 /nfs/dbraw/zinc/31/27/63/1097312763.db2.gz QXIVTBDOEWHDBY-CYBMUJFWSA-N -1 1 301.298 3.073 20 5 DGBDMM CO[C@H](C)CCOc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229519000 1097338183 /nfs/dbraw/zinc/33/81/83/1097338183.db2.gz XRFHJVAFBRROOH-LLVKDONJSA-N -1 1 314.337 3.456 20 5 DGBDMM COC(=O)CC1CCC(Oc2cc([N+](=O)[O-])c(C)cc2[O-])CC1 ZINC001229753389 1097377568 /nfs/dbraw/zinc/37/75/68/1097377568.db2.gz IGQXNWVDJGWLRF-UHFFFAOYSA-N -1 1 323.345 3.110 20 5 DGBDMM O=c1oc2cc([O-])ccc2c2cc(O[C@H]3C=CCC3)c(O)cc12 ZINC001229805641 1097390345 /nfs/dbraw/zinc/39/03/45/1097390345.db2.gz NQHCPRCWWZPEKP-NSHDSACASA-N -1 1 310.305 3.455 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)CCc2ccccc2)n1 ZINC001231259123 1097705361 /nfs/dbraw/zinc/70/53/61/1097705361.db2.gz GKZSENCLUYWCEO-GFCCVEGCSA-N -1 1 302.330 3.404 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccc(F)c2F)n1 ZINC001231262926 1097706767 /nfs/dbraw/zinc/70/67/67/1097706767.db2.gz HZVQTZKWZKOKDX-QMMMGPOBSA-N -1 1 310.256 3.422 20 5 DGBDMM O=C([N-]c1ccnc(Cl)c1F)c1ccc([N+](=O)[O-])s1 ZINC001275518713 1104789570 /nfs/dbraw/zinc/78/95/70/1104789570.db2.gz QIJNSKPFFATGCO-UHFFFAOYSA-N -1 1 301.686 3.096 20 5 DGBDMM CCn1c2cc(C)ccc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251088148 1105628100 /nfs/dbraw/zinc/62/81/00/1105628100.db2.gz WWCKYCIRHZZODA-UHFFFAOYSA-N -1 1 313.313 3.351 20 5 DGBDMM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc([O-])c1Cl)C2 ZINC001261245077 1107369549 /nfs/dbraw/zinc/36/95/49/1107369549.db2.gz NMGLYLWXMLYZMT-UHFFFAOYSA-N -1 1 304.733 3.470 20 5 DGBDMM COC(=O)c1c[n-]c(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000193538453 201071397 /nfs/dbraw/zinc/07/13/97/201071397.db2.gz JUOQPMXFDTYSKW-VIFPVBQESA-N -1 1 321.358 3.266 20 5 DGBDMM Cc1cccc(OC(F)F)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343365322 254132569 /nfs/dbraw/zinc/13/25/69/254132569.db2.gz IIZOHYGPOYMUIU-UHFFFAOYSA-N -1 1 311.244 3.085 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030529755 400328152 /nfs/dbraw/zinc/32/81/52/400328152.db2.gz VLKJCIFOHDRLPT-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM CCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000031555926 400349662 /nfs/dbraw/zinc/34/96/62/400349662.db2.gz KCUYAYMIVXDVGH-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=C(Nc1ccccc1CC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000359521724 286325699 /nfs/dbraw/zinc/32/56/99/286325699.db2.gz WKLPJJTUGAYECR-UHFFFAOYSA-N -1 1 313.235 3.280 20 5 DGBDMM CCCC1CCC(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000192273068 165288402 /nfs/dbraw/zinc/28/84/02/165288402.db2.gz LHWZQUKQYNNDON-UHFFFAOYSA-N -1 1 321.377 3.126 20 5 DGBDMM COc1ccc(N(CC(C)C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000347146559 264165758 /nfs/dbraw/zinc/16/57/58/264165758.db2.gz ARYWUCBMYSQEFH-UHFFFAOYSA-N -1 1 317.345 3.234 20 5 DGBDMM CC(C)OCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000347702271 264270427 /nfs/dbraw/zinc/27/04/27/264270427.db2.gz MAWPPXLAQPLRHR-UHFFFAOYSA-N -1 1 303.318 3.100 20 5 DGBDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014256003 431586849 /nfs/dbraw/zinc/58/68/49/431586849.db2.gz YGTWEKWAGDSOKR-UHFFFAOYSA-N -1 1 320.370 3.348 20 5 DGBDMM Cc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030529757 431742500 /nfs/dbraw/zinc/74/25/00/431742500.db2.gz VJILVUGGXISEGS-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000191783357 432301768 /nfs/dbraw/zinc/30/17/68/432301768.db2.gz ANFKBBOMBZADJN-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000192715556 432403588 /nfs/dbraw/zinc/40/35/88/432403588.db2.gz PHEQPLKSGPRMIW-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1[O-] ZINC000193228536 432459823 /nfs/dbraw/zinc/45/98/23/432459823.db2.gz GTYRSURRVXGVHG-UHFFFAOYSA-N -1 1 320.732 3.226 20 5 DGBDMM CC(C)(C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000277272023 432833218 /nfs/dbraw/zinc/83/32/18/432833218.db2.gz HMCWKZMQSCZWTO-UHFFFAOYSA-N -1 1 302.334 3.386 20 5 DGBDMM CCC1(CC)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000339094714 433357541 /nfs/dbraw/zinc/35/75/41/433357541.db2.gz MNZPVWNXVCQBHT-UHFFFAOYSA-N -1 1 310.419 3.408 20 5 DGBDMM O=C([N-]c1cc(F)c(F)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000354982191 433390262 /nfs/dbraw/zinc/39/02/62/433390262.db2.gz ZSWFKMWNPSNZBG-UHFFFAOYSA-N -1 1 302.233 3.326 20 5 DGBDMM O=C(Nc1cc(F)ccc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000340316638 434056122 /nfs/dbraw/zinc/05/61/22/434056122.db2.gz KBSUXQSHENXJIE-UHFFFAOYSA-N -1 1 315.260 3.173 20 5 DGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c([O-])cccc1F ZINC000436991478 434199115 /nfs/dbraw/zinc/19/91/15/434199115.db2.gz VDWBFGBCXLURMQ-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340579586 434217862 /nfs/dbraw/zinc/21/78/62/434217862.db2.gz SYGWTBRLPLHLNP-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000315578235 434167473 /nfs/dbraw/zinc/16/74/73/434167473.db2.gz MHGLMJYBEXONKL-CQSZACIVSA-N -1 1 320.732 3.164 20 5 DGBDMM Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc2cc1F ZINC000357993498 434273328 /nfs/dbraw/zinc/27/33/28/434273328.db2.gz JHFUOHKOMGCGNR-UHFFFAOYSA-N -1 1 320.305 3.232 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C ZINC000320106630 434233113 /nfs/dbraw/zinc/23/31/13/434233113.db2.gz HMMFMNBNSSDKEB-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4c(c3)CCC4)no2)[n-]1 ZINC000445293184 434794703 /nfs/dbraw/zinc/79/47/03/434794703.db2.gz DMQSMWKEDDQNJE-UHFFFAOYSA-N -1 1 310.313 3.052 20 5 DGBDMM O=C(Nc1cccc([O-])c1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000534945796 435305747 /nfs/dbraw/zinc/30/57/47/435305747.db2.gz MAXGKLZTHKYYGX-UHFFFAOYSA-N -1 1 316.244 3.438 20 5 DGBDMM Cc1cc(F)ccc1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000571609726 435719893 /nfs/dbraw/zinc/71/98/93/435719893.db2.gz XHINTTGNPWCMKV-UHFFFAOYSA-N -1 1 302.265 3.011 20 5 DGBDMM Cc1nc(SCc2cccc([N+](=O)[O-])c2C)[n-]c(=O)c1C ZINC000540716878 313973465 /nfs/dbraw/zinc/97/34/65/313973465.db2.gz RNGKVYVOMNOLMR-UHFFFAOYSA-N -1 1 305.359 3.308 20 5 DGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000544641429 314204607 /nfs/dbraw/zinc/20/46/07/314204607.db2.gz YLKIYQADLJWHMB-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CC1(C)CC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000445139194 528888920 /nfs/dbraw/zinc/88/89/20/528888920.db2.gz NEHVJXLBUCAKJN-UHFFFAOYSA-N -1 1 321.377 3.030 20 5 DGBDMM CCCC(CCC)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736426453 574750522 /nfs/dbraw/zinc/75/05/22/574750522.db2.gz PPNKNUVCTZMSQO-UHFFFAOYSA-N -1 1 322.394 3.231 20 5 DGBDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c([O-])cccc1F ZINC000755614216 621581095 /nfs/dbraw/zinc/58/10/95/621581095.db2.gz DLNMDNCMPAFXPN-KTKRTIGZSA-N -1 1 316.288 3.482 20 5 DGBDMM O=C(OCc1ccc2ncccc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770405307 622630815 /nfs/dbraw/zinc/63/08/15/622630815.db2.gz VKTRSGNHFFGDGN-UHFFFAOYSA-N -1 1 324.292 3.206 20 5 DGBDMM Cc1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)s1 ZINC000780073139 623857017 /nfs/dbraw/zinc/85/70/17/623857017.db2.gz ZLPVDWBZVKYITQ-UHFFFAOYSA-N -1 1 307.327 3.336 20 5 DGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000780072295 623857104 /nfs/dbraw/zinc/85/71/04/623857104.db2.gz OWBKFYUZLUFTGY-MRVPVSSYSA-N -1 1 323.251 3.497 20 5 DGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133317703 626781187 /nfs/dbraw/zinc/78/11/87/626781187.db2.gz CCXNNVAPIPGEFQ-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cc(C2CC2)no1 ZINC000813246052 627472279 /nfs/dbraw/zinc/47/22/79/627472279.db2.gz VJSYOOQTXFVYMU-UHFFFAOYSA-N -1 1 307.693 3.366 20 5 DGBDMM Cc1cc(Cl)c(C(=O)[N-]c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000825887357 628807448 /nfs/dbraw/zinc/80/74/48/628807448.db2.gz NGSCROYULBGQLL-UHFFFAOYSA-N -1 1 322.708 3.069 20 5 DGBDMM CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C(=O)[O-] ZINC000833693965 629641627 /nfs/dbraw/zinc/64/16/27/629641627.db2.gz CNWGUJRBFJOOOS-UHFFFAOYSA-N -1 1 318.329 3.150 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])c1cccc([N+](=O)[O-])c1Cl ZINC001587389994 1192091077 /nfs/dbraw/zinc/09/10/77/1192091077.db2.gz XWSNGQKFGMGJPT-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1c([O-])cccc1F ZINC001583971571 1192169848 /nfs/dbraw/zinc/16/98/48/1192169848.db2.gz HQDMGBVRXHNENI-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM CC(C)(CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC1 ZINC001589276125 1192462350 /nfs/dbraw/zinc/46/23/50/1192462350.db2.gz RNWXXZFXMKKTPY-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001590237864 1192495911 /nfs/dbraw/zinc/49/59/11/1192495911.db2.gz CTVDTRPQPLGJJN-JFGNBEQYSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001590237864 1192495913 /nfs/dbraw/zinc/49/59/13/1192495913.db2.gz CTVDTRPQPLGJJN-JFGNBEQYSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H](C)C1 ZINC001590237862 1192496470 /nfs/dbraw/zinc/49/64/70/1192496470.db2.gz CTVDTRPQPLGJJN-CKYFFXLPSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H](C)C1 ZINC001590237862 1192496471 /nfs/dbraw/zinc/49/64/71/1192496471.db2.gz CTVDTRPQPLGJJN-CKYFFXLPSA-N -1 1 316.365 3.012 20 5 DGBDMM CCC(CC)(CC)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590427028 1192507898 /nfs/dbraw/zinc/50/78/98/1192507898.db2.gz OMSVWLTYEPDXKL-UHFFFAOYSA-N -1 1 324.410 3.465 20 5 DGBDMM CCC(CC)(CC)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590427028 1192507903 /nfs/dbraw/zinc/50/79/03/1192507903.db2.gz OMSVWLTYEPDXKL-UHFFFAOYSA-N -1 1 324.410 3.465 20 5 DGBDMM Cc1cccc(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001592244341 1192604332 /nfs/dbraw/zinc/60/43/32/1192604332.db2.gz ZSVHOLAVCNESDH-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM Cc1cccc(Sc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001592244341 1192604334 /nfs/dbraw/zinc/60/43/34/1192604334.db2.gz ZSVHOLAVCNESDH-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001593473770 1192631860 /nfs/dbraw/zinc/63/18/60/1192631860.db2.gz LWJUWXWHDJNFPQ-UHFFFAOYSA-N -1 1 316.708 3.172 20 5 DGBDMM CC(C)CC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001603273162 1193013082 /nfs/dbraw/zinc/01/30/82/1193013082.db2.gz ZQGFOBYJMLHJGT-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM CC(C)CC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001603273162 1193013085 /nfs/dbraw/zinc/01/30/85/1193013085.db2.gz ZQGFOBYJMLHJGT-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603880205 1193036187 /nfs/dbraw/zinc/03/61/87/1193036187.db2.gz FMIRLTSOPIDOEI-VGMNWLOBSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603880205 1193036192 /nfs/dbraw/zinc/03/61/92/1193036192.db2.gz FMIRLTSOPIDOEI-VGMNWLOBSA-N -1 1 322.394 3.073 20 5 DGBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])ccc1Cl ZINC001545835699 1181768005 /nfs/dbraw/zinc/76/80/05/1181768005.db2.gz KFALYJRVZPEBEB-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)cc1[N+](=O)[O-] ZINC001444909159 1182131957 /nfs/dbraw/zinc/13/19/57/1182131957.db2.gz QQCWMRMUNXCZDC-JTQLQIEISA-N -1 1 318.304 3.239 20 5 DGBDMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001450893193 1182259050 /nfs/dbraw/zinc/25/90/50/1182259050.db2.gz FPQDGPZAPDYXSC-MRVPVSSYSA-N -1 1 322.267 3.321 20 5 DGBDMM CCCSc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC001470987584 1183529703 /nfs/dbraw/zinc/52/97/03/1183529703.db2.gz JFZSLSIAOQOGPS-UHFFFAOYSA-N -1 1 306.347 3.072 20 5 DGBDMM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001607460816 1193230574 /nfs/dbraw/zinc/23/05/74/1193230574.db2.gz NFNDVDBBSPUBDD-JTQLQIEISA-N -1 1 318.304 3.283 20 5 DGBDMM C[C@H](NCc1ccsc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001607460668 1193230730 /nfs/dbraw/zinc/23/07/30/1193230730.db2.gz AWXSWABCJZJDMF-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM Cc1noc(C)c1[N-]C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001526891693 1187395989 /nfs/dbraw/zinc/39/59/89/1187395989.db2.gz YABNUJRFTXBLRD-UHFFFAOYSA-N -1 1 309.709 3.414 20 5 DGBDMM Cc1nocc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001530847578 1187649164 /nfs/dbraw/zinc/64/91/64/1187649164.db2.gz WUTOWPWGPSEWFT-UHFFFAOYSA-N -1 1 315.207 3.162 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(F)ccc1[O-] ZINC001556873203 1189026611 /nfs/dbraw/zinc/02/66/11/1189026611.db2.gz REFORDGYZZEIPN-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM Cc1nc(SCc2ccc([N+](=O)[O-])c(F)c2)[n-]c(=O)c1C ZINC001559393314 1189201529 /nfs/dbraw/zinc/20/15/29/1189201529.db2.gz OIWDXCFQPGAXNM-UHFFFAOYSA-N -1 1 309.322 3.139 20 5 DGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1c(F)cccc1[N+](=O)[O-] ZINC001566639637 1189840249 /nfs/dbraw/zinc/84/02/49/1189840249.db2.gz ZZFPRHUVORFEGW-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1[O-] ZINC001624223411 1193986251 /nfs/dbraw/zinc/98/62/51/1193986251.db2.gz VPQPGMZOFRRSCR-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM CSc1ccncc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001629346637 1194228563 /nfs/dbraw/zinc/22/85/63/1194228563.db2.gz FJJUNUKXYXDMFE-UHFFFAOYSA-N -1 1 307.306 3.103 20 5 DGBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001638527902 1194723377 /nfs/dbraw/zinc/72/33/77/1194723377.db2.gz CPIUJODCLBXYDB-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM COc1c(C)cc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001641717528 1194867884 /nfs/dbraw/zinc/86/78/84/1194867884.db2.gz OWKHHDATYLQJJH-UHFFFAOYSA-N -1 1 309.709 3.146 20 5 DGBDMM CCCC[C@@H](CCC)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654405880 1195801226 /nfs/dbraw/zinc/80/12/26/1195801226.db2.gz BVNADMLADOTUEE-LLVKDONJSA-N -1 1 309.366 3.032 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001161045343 1089091583 /nfs/dbraw/zinc/09/15/83/1089091583.db2.gz BPBCQZRVRMPEHY-CHWSQXEVSA-N -1 1 316.288 3.182 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cncc(OC(F)(F)F)c2)ccc1[O-] ZINC001210395249 1093151584 /nfs/dbraw/zinc/15/15/84/1093151584.db2.gz SFCXOEBINPFTER-UHFFFAOYSA-N -1 1 315.207 3.338 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2nc(Cl)cnc2Cl)ccc1[O-] ZINC001210393885 1093151944 /nfs/dbraw/zinc/15/19/44/1093151944.db2.gz JYOOKAYSTUOODK-UHFFFAOYSA-N -1 1 301.089 3.141 20 5 DGBDMM Cc1nc2sccc2c(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210392810 1093152087 /nfs/dbraw/zinc/15/20/87/1093152087.db2.gz NVIPREIRCWZIQY-UHFFFAOYSA-N -1 1 302.315 3.357 20 5 DGBDMM O=c1[nH]cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC001210395666 1093152322 /nfs/dbraw/zinc/15/23/22/1093152322.db2.gz AIYDLROBEDUPCO-UHFFFAOYSA-N -1 1 315.207 3.163 20 5 DGBDMM CC(C)c1cnn2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)cnc12 ZINC001210395889 1093153585 /nfs/dbraw/zinc/15/35/85/1093153585.db2.gz HRLSLTUUZZAWPG-UHFFFAOYSA-N -1 1 313.317 3.210 20 5 DGBDMM COC(=O)c1ccc([O-])cc1Nc1ccc(C)cc1[N+](=O)[O-] ZINC001214176063 1093727505 /nfs/dbraw/zinc/72/75/05/1093727505.db2.gz QEIFJAVQVWHYMH-UHFFFAOYSA-N -1 1 302.286 3.139 20 5 DGBDMM CC(C)(NCc1csc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001339183078 1095529793 /nfs/dbraw/zinc/52/97/93/1095529793.db2.gz MJGXATSFYXYFDK-UHFFFAOYSA-N -1 1 320.370 3.379 20 5 DGBDMM O=c1cc[n-]c(O[C@H]2CC[C@H](C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC001225665484 1096499440 /nfs/dbraw/zinc/49/94/40/1096499440.db2.gz ASVROAKMWZEMLN-ZKCHVHJHSA-N -1 1 306.240 3.195 20 5 DGBDMM O=c1[n-]cnc(OC2CC(c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001228140622 1097060508 /nfs/dbraw/zinc/06/05/08/1097060508.db2.gz KPFJVDZLTVYCQU-UHFFFAOYSA-N -1 1 321.720 3.069 20 5 DGBDMM Cc1nc(O[C@@H]2CCc3ccc(Cl)cc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377367 1097308652 /nfs/dbraw/zinc/30/86/52/1097308652.db2.gz BHJJFNXMQCOMBN-LLVKDONJSA-N -1 1 321.720 3.119 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(OC[C@@H]2CCc3ccccc3O2)c1 ZINC001229398167 1097312598 /nfs/dbraw/zinc/31/25/98/1097312598.db2.gz QXIVTBDOEWHDBY-ZDUSSCGKSA-N -1 1 301.298 3.073 20 5 DGBDMM Cc1cc([O-])c(OC[C@@H]2CCc3ccccc3O2)cc1[N+](=O)[O-] ZINC001229749940 1097376645 /nfs/dbraw/zinc/37/66/45/1097376645.db2.gz IQNTZUSKWOTLQU-ZDUSSCGKSA-N -1 1 315.325 3.381 20 5 DGBDMM Cc1cc([O-])c(O[C@H]2Cc3ccncc3[C@H]2C)cc1[N+](=O)[O-] ZINC001229754042 1097376979 /nfs/dbraw/zinc/37/69/79/1097376979.db2.gz LANOVVIHBFVFQF-BMIGLBTASA-N -1 1 300.314 3.111 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC(=O)c3ccccc32)n1 ZINC001231259029 1097705522 /nfs/dbraw/zinc/70/55/22/1097705522.db2.gz DAKUKUSHVMZWDB-CQSZACIVSA-N -1 1 314.297 3.100 20 5 DGBDMM Cc1cccc(OC[C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c1 ZINC001231262322 1097707120 /nfs/dbraw/zinc/70/71/20/1097707120.db2.gz FOKSKXWHKSFKAL-GFCCVEGCSA-N -1 1 318.329 3.159 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC001231263819 1097707527 /nfs/dbraw/zinc/70/75/27/1097707527.db2.gz MGJVWRFYTHEYHQ-QMMMGPOBSA-N -1 1 310.256 3.422 20 5 DGBDMM CCCOC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500430 1098353346 /nfs/dbraw/zinc/35/33/46/1098353346.db2.gz SNXWMVXIFNWSQQ-MRVPVSSYSA-N -1 1 313.741 3.318 20 5 DGBDMM C[C@@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CCO1 ZINC001233505843 1098355646 /nfs/dbraw/zinc/35/56/46/1098355646.db2.gz IEKPUQCPPRSDDL-SFYZADRCSA-N -1 1 311.725 3.071 20 5 DGBDMM C[C@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CCO1 ZINC001233505842 1098355671 /nfs/dbraw/zinc/35/56/71/1098355671.db2.gz IEKPUQCPPRSDDL-JGVFFNPUSA-N -1 1 311.725 3.071 20 5 DGBDMM O=C([O-])c1cc(Nc2c(O)cc(F)cc2F)cc([N+](=O)[O-])c1 ZINC001176677158 1098404363 /nfs/dbraw/zinc/40/43/63/1098404363.db2.gz OPVWIXJIXSRSCN-UHFFFAOYSA-N -1 1 310.212 3.020 20 5 DGBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001176987650 1098459656 /nfs/dbraw/zinc/45/96/56/1098459656.db2.gz AMXAQMOYJZOGAZ-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM O=C(c1cc(Cl)ccc1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330071797 1104471832 /nfs/dbraw/zinc/47/18/32/1104471832.db2.gz ZDDYVUITXVUHSM-UHFFFAOYSA-N -1 1 318.716 3.110 20 5 DGBDMM COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC001250873756 1105597582 /nfs/dbraw/zinc/59/75/82/1105597582.db2.gz BQVPKSZKDIFULC-UHFFFAOYSA-N -1 1 313.313 3.469 20 5 DGBDMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc([N+](=O)[O-])s1 ZINC001304283940 1111172421 /nfs/dbraw/zinc/17/24/21/1111172421.db2.gz GKULUNAJOOVLBN-UHFFFAOYSA-N -1 1 316.697 3.407 20 5 DGBDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000088717312 185263103 /nfs/dbraw/zinc/26/31/03/185263103.db2.gz JSUCJGXJNWUKOD-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000006315842 181329129 /nfs/dbraw/zinc/32/91/29/181329129.db2.gz NEQLMRFJYCRAIX-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000091054398 283997836 /nfs/dbraw/zinc/99/78/36/283997836.db2.gz QKLIQJZSEGLRGF-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000135610903 284484172 /nfs/dbraw/zinc/48/41/72/284484172.db2.gz MVTYAUFRVYEGDL-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC(C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cs1 ZINC000273768177 211040656 /nfs/dbraw/zinc/04/06/56/211040656.db2.gz DUOICIYTZIOZBX-UHFFFAOYSA-N -1 1 319.346 3.144 20 5 DGBDMM Cc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000344839590 254309681 /nfs/dbraw/zinc/30/96/81/254309681.db2.gz QIQDSHATBFDTFQ-UHFFFAOYSA-N -1 1 302.315 3.093 20 5 DGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)C1CCCCC1 ZINC000445006319 533312893 /nfs/dbraw/zinc/31/28/93/533312893.db2.gz BZWRSDSQXJSCSG-WDEREUQCSA-N -1 1 321.377 3.030 20 5 DGBDMM COc1cccc(C(=O)[N-]c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000193785355 533418356 /nfs/dbraw/zinc/41/83/56/533418356.db2.gz FZXZLYYLDFXMHZ-UHFFFAOYSA-N -1 1 308.240 3.134 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000007323249 400102451 /nfs/dbraw/zinc/10/24/51/400102451.db2.gz HBBZAGIXOGEBDU-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000355726909 266165765 /nfs/dbraw/zinc/16/57/65/266165765.db2.gz PUYAAARPXBQISX-UHFFFAOYSA-N -1 1 323.312 3.314 20 5 DGBDMM CC(C)Oc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000356010086 266255898 /nfs/dbraw/zinc/25/58/98/266255898.db2.gz MBPSKLFZCGQJEF-UHFFFAOYSA-N -1 1 314.301 3.427 20 5 DGBDMM CCOCc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356109768 266286545 /nfs/dbraw/zinc/28/65/45/266286545.db2.gz RGFQLUVCEIQZRL-UHFFFAOYSA-N -1 1 314.301 3.176 20 5 DGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC2(CCC2)c2c1cccc2F ZINC000338396184 275012617 /nfs/dbraw/zinc/01/26/17/275012617.db2.gz RLXQHWNKLUUGJQ-UHFFFAOYSA-N -1 1 315.304 3.144 20 5 DGBDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032585475 431784852 /nfs/dbraw/zinc/78/48/52/431784852.db2.gz IMPPRZBVJDELKJ-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032587831 431785309 /nfs/dbraw/zinc/78/53/09/431785309.db2.gz ASHRFIJQDIEVOZ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000426740909 433580178 /nfs/dbraw/zinc/58/01/78/433580178.db2.gz JCEJIGVPBQHGQG-CQSZACIVSA-N -1 1 320.732 3.164 20 5 DGBDMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436798381 434113937 /nfs/dbraw/zinc/11/39/37/434113937.db2.gz LCHHRUGGKLJGOK-VIFPVBQESA-N -1 1 320.732 3.445 20 5 DGBDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000535654590 435340352 /nfs/dbraw/zinc/34/03/52/435340352.db2.gz KZXACVLJBOMTIG-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000572706590 435857721 /nfs/dbraw/zinc/85/77/21/435857721.db2.gz FZLBUPBVXFMRCG-UHFFFAOYSA-N -1 1 320.692 3.009 20 5 DGBDMM CC[C@](NCc1csc([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736920369 574811225 /nfs/dbraw/zinc/81/12/25/574811225.db2.gz MGUGEYVVVXNZNW-OAHLLOKOSA-N -1 1 320.370 3.136 20 5 DGBDMM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000749860210 575684053 /nfs/dbraw/zinc/68/40/53/575684053.db2.gz NMUDPLQRZARGKW-UHFFFAOYSA-N -1 1 313.357 3.423 20 5 DGBDMM CCCCn1ncc([N-]c2nc3ccccn3c2[N+](=O)[O-])c1C ZINC000772902596 622952287 /nfs/dbraw/zinc/95/22/87/622952287.db2.gz VAPNHBDFRXOPGM-UHFFFAOYSA-N -1 1 314.349 3.291 20 5 DGBDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000783262442 624332205 /nfs/dbraw/zinc/33/22/05/624332205.db2.gz DKUSVBSLAKBLAN-MRVPVSSYSA-N -1 1 323.251 3.497 20 5 DGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2F)cc1 ZINC000800041396 626797984 /nfs/dbraw/zinc/79/79/84/626797984.db2.gz LMHGTKIWBXZQIW-MDZDMXLPSA-N -1 1 322.317 3.147 20 5 DGBDMM COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c([O-])c1 ZINC000135457449 626933055 /nfs/dbraw/zinc/93/30/55/626933055.db2.gz BBFWEBOENCNJCN-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM O=c1cc(C(F)F)nc(S/C=C/c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000809987210 626965591 /nfs/dbraw/zinc/96/55/91/626965591.db2.gz WKMFFTMYNRLANT-ONEGZZNKSA-N -1 1 315.257 3.384 20 5 DGBDMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000827718429 628985605 /nfs/dbraw/zinc/98/56/05/628985605.db2.gz RUKAWXSIYDPCSW-BONVTDFDSA-N -1 1 318.304 3.210 20 5 DGBDMM CC(C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000847119573 631412776 /nfs/dbraw/zinc/41/27/76/631412776.db2.gz QJUVOIXYKHUFQM-UHFFFAOYSA-N -1 1 322.258 3.237 20 5 DGBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155265087 658820801 /nfs/dbraw/zinc/82/08/01/658820801.db2.gz TUIHIJKJZCSJPF-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCc2cccc([O-])c21 ZINC000170873057 659243788 /nfs/dbraw/zinc/24/37/88/659243788.db2.gz BOPUYAPSKAQYFN-UHFFFAOYSA-N -1 1 316.288 3.033 20 5 DGBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1cccs1 ZINC001580309092 1192020206 /nfs/dbraw/zinc/02/02/06/1192020206.db2.gz YOOSKRPOQWPSLK-ZCFIWIBFSA-N -1 1 322.375 3.071 20 5 DGBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1cccs1 ZINC001580309092 1192020209 /nfs/dbraw/zinc/02/02/09/1192020209.db2.gz YOOSKRPOQWPSLK-ZCFIWIBFSA-N -1 1 322.375 3.071 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1SCC1CCCC1 ZINC001582803824 1192109693 /nfs/dbraw/zinc/10/96/93/1192109693.db2.gz WHVHZEJRVMNGGN-UHFFFAOYSA-N -1 1 323.353 3.196 20 5 DGBDMM CC(C)CC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001589570225 1192468741 /nfs/dbraw/zinc/46/87/41/1192468741.db2.gz BTYWNXNUZUUWJG-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM Cc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001600374548 1192839349 /nfs/dbraw/zinc/83/93/49/1192839349.db2.gz ZYUPXMRHVQWVAB-GFCCVEGCSA-N -1 1 314.341 3.452 20 5 DGBDMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001600409618 1192848418 /nfs/dbraw/zinc/84/84/18/1192848418.db2.gz HNJKKMXSIQINMG-UHFFFAOYSA-N -1 1 314.341 3.233 20 5 DGBDMM CC[C@H](C)C[C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604001667 1193043189 /nfs/dbraw/zinc/04/31/89/1193043189.db2.gz WNXVZCNGZJMGJU-YUMQZZPRSA-N -1 1 310.383 3.073 20 5 DGBDMM CC[C@H](C)C[C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604001667 1193043191 /nfs/dbraw/zinc/04/31/91/1193043191.db2.gz WNXVZCNGZJMGJU-YUMQZZPRSA-N -1 1 310.383 3.073 20 5 DGBDMM C[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001604321151 1193064431 /nfs/dbraw/zinc/06/44/31/1193064431.db2.gz BULYAWFNNHYMOI-QWRGUYRKSA-N -1 1 315.329 3.100 20 5 DGBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC001604340653 1193066683 /nfs/dbraw/zinc/06/66/83/1193066683.db2.gz DFWOSOYTXZVORQ-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1[O-] ZINC001469161366 1183387575 /nfs/dbraw/zinc/38/75/75/1183387575.db2.gz MVUSSXYQENWBBB-UHFFFAOYSA-N -1 1 322.267 3.150 20 5 DGBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001607422525 1193230130 /nfs/dbraw/zinc/23/01/30/1193230130.db2.gz ZHUXHEDWBRXIOF-SNVBAGLBSA-N -1 1 318.304 3.283 20 5 DGBDMM CCCc1cc(=O)[n-]c(SCc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001613234267 1193469275 /nfs/dbraw/zinc/46/92/75/1193469275.db2.gz HHTOTNJZEJUJQD-UHFFFAOYSA-N -1 1 323.349 3.474 20 5 DGBDMM CC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[O-] ZINC001540520364 1188243791 /nfs/dbraw/zinc/24/37/91/1188243791.db2.gz QRZHPSMGWRGESO-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM CC[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001566438380 1189770935 /nfs/dbraw/zinc/77/09/35/1189770935.db2.gz VTTJVUBCOOVXIZ-CQSZACIVSA-N -1 1 318.304 3.321 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC001630731606 1194300506 /nfs/dbraw/zinc/30/05/06/1194300506.db2.gz XGRNEGDVUBZKTQ-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM O=C([N-]c1cnoc1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001632212575 1194377205 /nfs/dbraw/zinc/37/72/05/1194377205.db2.gz LAHXPORHBZHGNV-UHFFFAOYSA-N -1 1 320.063 3.281 20 5 DGBDMM Cc1cc(C(=O)NCc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC001637348037 1194664455 /nfs/dbraw/zinc/66/44/55/1194664455.db2.gz CLMJHNMTSFRDGD-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CCCCC1 ZINC001654432819 1195803486 /nfs/dbraw/zinc/80/34/86/1195803486.db2.gz UUFOXGOKXMMPMJ-UHFFFAOYSA-N -1 1 321.377 3.032 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H]1C ZINC001576153528 949290703 /nfs/dbraw/zinc/29/07/03/949290703.db2.gz MYHDIWYROVQHAO-CKYFFXLPSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H]1C ZINC001576153528 949290724 /nfs/dbraw/zinc/29/07/24/949290724.db2.gz MYHDIWYROVQHAO-CKYFFXLPSA-N -1 1 316.365 3.012 20 5 DGBDMM COc1ncc(Nc2nc3c(cccc3[O-])s2)cc1[N+](=O)[O-] ZINC001210134968 1081906402 /nfs/dbraw/zinc/90/64/02/1081906402.db2.gz LDCYEAQLDMENES-UHFFFAOYSA-N -1 1 318.314 3.057 20 5 DGBDMM Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001159454186 1088352675 /nfs/dbraw/zinc/35/26/75/1088352675.db2.gz DSMFYRGUQIBEOA-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM O=[N+]([O-])c1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001204407771 1090962705 /nfs/dbraw/zinc/96/27/05/1090962705.db2.gz QBRBZQBQKYIAJP-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=C(Nc1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1Cl ZINC001151093439 1092864526 /nfs/dbraw/zinc/86/45/26/1092864526.db2.gz VOKAQQPRUQAFQV-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cccnc2N2CCCCC2)ccc1[O-] ZINC001210393762 1093151869 /nfs/dbraw/zinc/15/18/69/1093151869.db2.gz YVFFPYAJECDRFB-UHFFFAOYSA-N -1 1 314.345 3.429 20 5 DGBDMM Cc1cnn(CC2CCC2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396512 1093153378 /nfs/dbraw/zinc/15/33/78/1093153378.db2.gz TTZWSOCFTHHGMS-UHFFFAOYSA-N -1 1 302.334 3.349 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnnc(Cl)c2Cl)ccc1[O-] ZINC001210395673 1093153496 /nfs/dbraw/zinc/15/34/96/1093153496.db2.gz AQHMJAKRKNPRHP-UHFFFAOYSA-N -1 1 301.089 3.141 20 5 DGBDMM O=c1cc[n-]c(O[C@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001225667647 1096499449 /nfs/dbraw/zinc/49/94/49/1096499449.db2.gz VFNNECUSHVUTQV-LBPRGKRZSA-N -1 1 306.705 3.415 20 5 DGBDMM O=c1[n-]cncc1O[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001227052348 1096853304 /nfs/dbraw/zinc/85/33/04/1096853304.db2.gz YZLQOGUVDCFRCV-INIZCTEOSA-N -1 1 323.308 3.259 20 5 DGBDMM Cc1ccc(Cl)cc1[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140430 1097060232 /nfs/dbraw/zinc/06/02/32/1097060232.db2.gz JRMHOUZKUBPGFM-MRVPVSSYSA-N -1 1 309.709 3.192 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCCC[C@@H]1F ZINC001228860534 1097205512 /nfs/dbraw/zinc/20/55/12/1097205512.db2.gz VPKVXZXYVLIJKO-XPUUQOCRSA-N -1 1 324.230 3.374 20 5 DGBDMM Cc1nc(O[C@@H](C)c2csc(Cl)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380894 1097309480 /nfs/dbraw/zinc/30/94/80/1097309480.db2.gz MWHQKGRWJSJTQR-YFKPBYRVSA-N -1 1 315.738 3.254 20 5 DGBDMM CCC[C@H](CC(=O)OCC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750542 1097376659 /nfs/dbraw/zinc/37/66/59/1097376659.db2.gz OBFQMSWIRXZZRR-LLVKDONJSA-N -1 1 311.334 3.110 20 5 DGBDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229752578 1097377906 /nfs/dbraw/zinc/37/79/06/1097377906.db2.gz BWGUBLPZEJLJKT-NEPJUHHUSA-N -1 1 323.345 3.110 20 5 DGBDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229754848 1097378611 /nfs/dbraw/zinc/37/86/11/1097378611.db2.gz UCOSMDUFQNPPJH-VXGBXAGGSA-N -1 1 323.345 3.110 20 5 DGBDMM COC(=O)C[C@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229754846 1097378728 /nfs/dbraw/zinc/37/87/28/1097378728.db2.gz UCOSMDUFQNPPJH-NWDGAFQWSA-N -1 1 323.345 3.110 20 5 DGBDMM COc1cccc([C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c1 ZINC001231259176 1097705286 /nfs/dbraw/zinc/70/52/86/1097705286.db2.gz GNLJMNLEHIJNQO-JTQLQIEISA-N -1 1 304.302 3.152 20 5 DGBDMM O=[N+]([O-])c1cc2nc(O[C@H]3C[C@H]4C=C[C@@H]3C4)[n-]c2cc1Cl ZINC001233500980 1098353155 /nfs/dbraw/zinc/35/31/55/1098353155.db2.gz WIPXCMITASCENP-DAROEXNTSA-N -1 1 305.721 3.468 20 5 DGBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3C=CCC3)c12 ZINC001234749096 1098659855 /nfs/dbraw/zinc/65/98/55/1098659855.db2.gz XTOIPPFFJWVMCP-GFCCVEGCSA-N -1 1 310.305 3.455 20 5 DGBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1C=CCC1 ZINC001234878871 1098694685 /nfs/dbraw/zinc/69/46/85/1098694685.db2.gz ZKVQJWDJMULSKF-QMMMGPOBSA-N -1 1 300.108 3.160 20 5 DGBDMM Cn1c2cc(Cl)ccc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251086977 1105627875 /nfs/dbraw/zinc/62/78/75/1105627875.db2.gz KIFAAXJNKDWUTI-UHFFFAOYSA-N -1 1 319.704 3.213 20 5 DGBDMM Cn1c2cc(Cl)ccc2nc1-c1cc([N+](=O)[O-])c([O-])cc1O ZINC001251086977 1105627880 /nfs/dbraw/zinc/62/78/80/1105627880.db2.gz KIFAAXJNKDWUTI-UHFFFAOYSA-N -1 1 319.704 3.213 20 5 DGBDMM COc1cc([O-])c(-c2nc3ccc(C)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC001251778287 1105694112 /nfs/dbraw/zinc/69/41/12/1105694112.db2.gz ACSJSJIHAZFHGC-UHFFFAOYSA-N -1 1 313.313 3.469 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc([O-])cc1F ZINC001290034481 1110231875 /nfs/dbraw/zinc/23/18/75/1110231875.db2.gz FFHXKAJCIBDSER-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM CSc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1[N+](=O)[O-] ZINC001302481798 1111115786 /nfs/dbraw/zinc/11/57/86/1111115786.db2.gz HESKLUJIKBNSSX-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM CCc1cc(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000428700031 529567426 /nfs/dbraw/zinc/56/74/26/529567426.db2.gz MHSDFTAKXWOWIT-UHFFFAOYSA-N -1 1 309.322 3.084 20 5 DGBDMM CCC[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519489813 294769490 /nfs/dbraw/zinc/76/94/90/294769490.db2.gz VSGYDQRVWBHDNE-SECBINFHSA-N -1 1 320.798 3.105 20 5 DGBDMM CC(C)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343582562 254163706 /nfs/dbraw/zinc/16/37/06/254163706.db2.gz NTVHUUVDWOWJTJ-UHFFFAOYSA-N -1 1 303.318 3.210 20 5 DGBDMM O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000357258364 285693116 /nfs/dbraw/zinc/69/31/16/285693116.db2.gz DEJDCRONRHDMAF-UHFFFAOYSA-N -1 1 313.235 3.280 20 5 DGBDMM COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000135414212 400585704 /nfs/dbraw/zinc/58/57/04/400585704.db2.gz KAEXQWCOUJOXMQ-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172181694 432202255 /nfs/dbraw/zinc/20/22/55/432202255.db2.gz UEJOTIJHIDMOSF-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1Br ZINC000132393268 196251460 /nfs/dbraw/zinc/25/14/60/196251460.db2.gz DBPZESNKGNNODU-UHFFFAOYSA-N -1 1 324.134 3.246 20 5 DGBDMM O=C(Nc1ccnc(-c2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000347935894 264309068 /nfs/dbraw/zinc/30/90/68/264309068.db2.gz MKGPJHYQLPUGHI-UHFFFAOYSA-N -1 1 308.297 3.237 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)[n-]1 ZINC000355993873 266251390 /nfs/dbraw/zinc/25/13/90/266251390.db2.gz YCRVSENCEMUAJT-UHFFFAOYSA-N -1 1 322.683 3.356 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000031555841 431762449 /nfs/dbraw/zinc/76/24/49/431762449.db2.gz ZQBDYDALXIPAOB-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1cccc2[nH]cc(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c21 ZINC000356496446 433590851 /nfs/dbraw/zinc/59/08/51/433590851.db2.gz FRVREWUHEQSGQD-UHFFFAOYSA-N -1 1 323.312 3.353 20 5 DGBDMM CSc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000340328046 434059305 /nfs/dbraw/zinc/05/93/05/434059305.db2.gz MBSNFAOMCRGXFM-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357616158 434106299 /nfs/dbraw/zinc/10/62/99/434106299.db2.gz DZALHSWRCAAKFH-NWDGAFQWSA-N -1 1 321.377 3.030 20 5 DGBDMM O=C(Nc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000340412931 434114939 /nfs/dbraw/zinc/11/49/39/434114939.db2.gz CGHMALJDBXKUET-UHFFFAOYSA-N -1 1 300.101 3.482 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1 ZINC000475791926 435211484 /nfs/dbraw/zinc/21/14/84/435211484.db2.gz MBDDEBRHQADISH-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000520769622 435768283 /nfs/dbraw/zinc/76/82/83/435768283.db2.gz GODSVSAGZKIBSZ-UHFFFAOYSA-N -1 1 324.333 3.097 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000562230893 315001570 /nfs/dbraw/zinc/00/15/70/315001570.db2.gz FACKXHWUILJABT-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154224192 620650069 /nfs/dbraw/zinc/65/00/69/620650069.db2.gz CTRFNQVJQNRBFZ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000920453328 620801627 /nfs/dbraw/zinc/80/16/27/620801627.db2.gz CYGKDNGXOBSWPI-VIFPVBQESA-N -1 1 320.732 3.445 20 5 DGBDMM O=C([O-])CC[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000901651852 619529215 /nfs/dbraw/zinc/52/92/15/619529215.db2.gz QERAFMPZKVIABA-ZDUSSCGKSA-N -1 1 320.370 3.352 20 5 DGBDMM CCC(F)(F)C(=O)[N-]Cc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386051 620439709 /nfs/dbraw/zinc/43/97/09/620439709.db2.gz MHIRNRYREPBVAL-UHFFFAOYSA-N -1 1 310.659 3.049 20 5 DGBDMM Cc1ccc2c(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c[nH]c2c1 ZINC000761899196 622037947 /nfs/dbraw/zinc/03/79/47/622037947.db2.gz ISZZHRVFIGDWHB-UHFFFAOYSA-N -1 1 323.312 3.353 20 5 DGBDMM O=C(OCc1cccc2cccnc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769044544 622494356 /nfs/dbraw/zinc/49/43/56/622494356.db2.gz AUKLKYWWPFDSIY-UHFFFAOYSA-N -1 1 324.292 3.206 20 5 DGBDMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000773567638 623047576 /nfs/dbraw/zinc/04/75/76/623047576.db2.gz MANSOWODDBRDJM-VIFPVBQESA-N -1 1 305.261 3.358 20 5 DGBDMM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780068649 623856839 /nfs/dbraw/zinc/85/68/39/623856839.db2.gz MPIIUKCDUVJLAW-IAQYHMDHSA-N -1 1 323.345 3.053 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000132265231 626711234 /nfs/dbraw/zinc/71/12/34/626711234.db2.gz JUNLRFIWYMCWRK-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC(C)(C)OCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000885624400 627034433 /nfs/dbraw/zinc/03/44/33/627034433.db2.gz QQZMZSAIAZTDOA-UHFFFAOYSA-N -1 1 317.345 3.490 20 5 DGBDMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000818051913 627990767 /nfs/dbraw/zinc/99/07/67/627990767.db2.gz BYLGGASGGZNXSQ-LLVKDONJSA-N -1 1 300.314 3.144 20 5 DGBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([O-])cc1F ZINC000820002518 628211496 /nfs/dbraw/zinc/21/14/96/628211496.db2.gz SNBSRDUICHMUFI-UHFFFAOYSA-N -1 1 320.276 3.091 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000825482630 628766599 /nfs/dbraw/zinc/76/65/99/628766599.db2.gz GFKKGRWLJDPGRR-UHFFFAOYSA-N -1 1 323.211 3.034 20 5 DGBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000826053495 628823351 /nfs/dbraw/zinc/82/33/51/628823351.db2.gz JGNHPHPNTLSLPR-QMTHXVAHSA-N -1 1 320.370 3.208 20 5 DGBDMM CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C(=O)[O-] ZINC000833694274 629641471 /nfs/dbraw/zinc/64/14/71/629641471.db2.gz ODVBFYDHGSOLKO-UHFFFAOYSA-N -1 1 318.329 3.150 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(N(C)C(=O)[O-])CC1 ZINC000833907063 629659719 /nfs/dbraw/zinc/65/97/19/629659719.db2.gz AGBLOCSVTLUIIO-LBPRGKRZSA-N -1 1 321.377 3.038 20 5 DGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000070333868 660052660 /nfs/dbraw/zinc/05/26/60/660052660.db2.gz VVDPSVPIXPRGFQ-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1ccc(C)c(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001581182635 1192055975 /nfs/dbraw/zinc/05/59/75/1192055975.db2.gz KTEZBVFCYPPFLJ-UHFFFAOYSA-N -1 1 317.330 3.246 20 5 DGBDMM Cc1ccc(C)c(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001581182635 1192055976 /nfs/dbraw/zinc/05/59/76/1192055976.db2.gz KTEZBVFCYPPFLJ-UHFFFAOYSA-N -1 1 317.330 3.246 20 5 DGBDMM C/C(=C/Cl)CSc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588769864 1192453491 /nfs/dbraw/zinc/45/34/91/1192453491.db2.gz YPWSWEZIMRLLPE-ALCCZGGFSA-N -1 1 311.754 3.010 20 5 DGBDMM C/C(=C/Cl)CSc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001588769864 1192453492 /nfs/dbraw/zinc/45/34/92/1192453492.db2.gz YPWSWEZIMRLLPE-ALCCZGGFSA-N -1 1 311.754 3.010 20 5 DGBDMM C/C(=C\Cl)CSc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001588768974 1192453844 /nfs/dbraw/zinc/45/38/44/1192453844.db2.gz RFLOFBZQPNOGBC-HWKANZROSA-N -1 1 317.783 3.071 20 5 DGBDMM C/C(=C\Cl)CSc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001588768974 1192453846 /nfs/dbraw/zinc/45/38/46/1192453846.db2.gz RFLOFBZQPNOGBC-HWKANZROSA-N -1 1 317.783 3.071 20 5 DGBDMM C[C@@H](CC(C)(C)C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589796853 1192474599 /nfs/dbraw/zinc/47/45/99/1192474599.db2.gz PTAGOJBTXJUZSO-ZETCQYMHSA-N -1 1 310.383 3.073 20 5 DGBDMM C[C@@H](CC(C)(C)C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589796853 1192474602 /nfs/dbraw/zinc/47/46/02/1192474602.db2.gz PTAGOJBTXJUZSO-ZETCQYMHSA-N -1 1 310.383 3.073 20 5 DGBDMM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001592136237 1192595870 /nfs/dbraw/zinc/59/58/70/1192595870.db2.gz XVFCJYGINFBQFU-LLVKDONJSA-N -1 1 324.344 3.256 20 5 DGBDMM Cc1ccc(C)c(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001592140548 1192595879 /nfs/dbraw/zinc/59/58/79/1192595879.db2.gz UIIZLUWYZBPHNS-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM Cc1ccc(C)c(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001592140548 1192595881 /nfs/dbraw/zinc/59/58/81/1192595881.db2.gz UIIZLUWYZBPHNS-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM Cc1ccc(F)cc1Oc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592173208 1192598447 /nfs/dbraw/zinc/59/84/47/1192598447.db2.gz DOWAFISOKUFBHA-UHFFFAOYSA-N -1 1 321.293 3.076 20 5 DGBDMM Cc1ccc(F)cc1Oc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592173208 1192598449 /nfs/dbraw/zinc/59/84/49/1192598449.db2.gz DOWAFISOKUFBHA-UHFFFAOYSA-N -1 1 321.293 3.076 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1SC1CCCCC1 ZINC001593488754 1192631440 /nfs/dbraw/zinc/63/14/40/1192631440.db2.gz SDKNJWONZANMKH-UHFFFAOYSA-N -1 1 311.392 3.261 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1SC1CCCCC1 ZINC001593488754 1192631443 /nfs/dbraw/zinc/63/14/43/1192631443.db2.gz SDKNJWONZANMKH-UHFFFAOYSA-N -1 1 311.392 3.261 20 5 DGBDMM C[C@@H]1CCC[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603888654 1193037863 /nfs/dbraw/zinc/03/78/63/1193037863.db2.gz YLAOHIGFHKNCFX-MNOVXSKESA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@@H]1CCC[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603888654 1193037865 /nfs/dbraw/zinc/03/78/65/1193037865.db2.gz YLAOHIGFHKNCFX-MNOVXSKESA-N -1 1 316.365 3.013 20 5 DGBDMM CC[C@H](C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604001664 1193043385 /nfs/dbraw/zinc/04/33/85/1193043385.db2.gz WNXVZCNGZJMGJU-JGVFFNPUSA-N -1 1 310.383 3.073 20 5 DGBDMM CC[C@H](C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604001664 1193043391 /nfs/dbraw/zinc/04/33/91/1193043391.db2.gz WNXVZCNGZJMGJU-JGVFFNPUSA-N -1 1 310.383 3.073 20 5 DGBDMM C[C@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604467964 1193074744 /nfs/dbraw/zinc/07/47/44/1193074744.db2.gz LEIYGGYZLLMJHV-GFCCVEGCSA-N -1 1 314.341 3.486 20 5 DGBDMM O=c1nc(Cl)cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)[n-]1 ZINC001458140856 1182500189 /nfs/dbraw/zinc/50/01/89/1182500189.db2.gz YCYQNSSWXFQJGS-UHFFFAOYSA-N -1 1 302.073 3.190 20 5 DGBDMM CCCCC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC001465109208 1183129613 /nfs/dbraw/zinc/12/96/13/1183129613.db2.gz IVMODTAIGMGBGP-CYBMUJFWSA-N -1 1 323.393 3.420 20 5 DGBDMM CCCCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC001465109209 1183129765 /nfs/dbraw/zinc/12/97/65/1183129765.db2.gz IVMODTAIGMGBGP-ZDUSSCGKSA-N -1 1 323.393 3.420 20 5 DGBDMM O=[N+]([O-])c1c(SCc2ccccc2)cccc1-c1nnn[n-]1 ZINC001607078082 1193211263 /nfs/dbraw/zinc/21/12/63/1193211263.db2.gz JMCXZQDDZNYWKD-UHFFFAOYSA-N -1 1 313.342 3.067 20 5 DGBDMM O=[N+]([O-])c1c(SCc2ccccc2)cccc1-c1nn[n-]n1 ZINC001607078082 1193211266 /nfs/dbraw/zinc/21/12/66/1193211266.db2.gz JMCXZQDDZNYWKD-UHFFFAOYSA-N -1 1 313.342 3.067 20 5 DGBDMM Cc1[nH]c(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001607752096 1193253156 /nfs/dbraw/zinc/25/31/56/1193253156.db2.gz RIIKWORUCYWGSF-SNVBAGLBSA-N -1 1 317.345 3.089 20 5 DGBDMM C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cc(C(=O)[O-])cs1 ZINC001609781573 1193356290 /nfs/dbraw/zinc/35/62/90/1193356290.db2.gz OLILEXDISNTRFS-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM CSc1cc(F)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001529660063 1187572171 /nfs/dbraw/zinc/57/21/71/1187572171.db2.gz CBERNNKVJWGZFU-UHFFFAOYSA-N -1 1 307.306 3.103 20 5 DGBDMM O=C([N-]c1c(Cl)cncc1Cl)c1ccc([N+](=O)[O-])s1 ZINC001532840970 1187789170 /nfs/dbraw/zinc/78/91/70/1187789170.db2.gz RDNYRWZAOUGAQM-UHFFFAOYSA-N -1 1 318.141 3.032 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570465980 1190865384 /nfs/dbraw/zinc/86/53/84/1190865384.db2.gz XTCIGGTYVAXXKQ-UHFFFAOYSA-N -1 1 322.267 3.448 20 5 DGBDMM CCc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2s1 ZINC001570695168 1190920337 /nfs/dbraw/zinc/92/03/37/1190920337.db2.gz NOPCNPRPDKLBRO-UHFFFAOYSA-N -1 1 316.342 3.347 20 5 DGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(F)c1F ZINC001624001870 1193975901 /nfs/dbraw/zinc/97/59/01/1193975901.db2.gz KGAMQIPCPGJTPZ-UHFFFAOYSA-N -1 1 322.267 3.150 20 5 DGBDMM Cc1ccc(C(=O)NCc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001637344102 1194663821 /nfs/dbraw/zinc/66/38/21/1194663821.db2.gz CDWOTICKRMXWKP-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CC(C)CC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC001641367694 1194850251 /nfs/dbraw/zinc/85/02/51/1194850251.db2.gz DVOFXXASPSRHGO-UHFFFAOYSA-N -1 1 321.377 3.032 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001644861787 1195138720 /nfs/dbraw/zinc/13/87/20/1195138720.db2.gz HZLYMPDGQHBFEZ-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM O=c1nc(Cl)cc(Oc2ccc([N+](=O)[O-])c3ncccc23)[n-]1 ZINC001655395499 1195912121 /nfs/dbraw/zinc/91/21/21/1195912121.db2.gz JKZUYOPKZCQYJG-UHFFFAOYSA-N -1 1 318.676 3.084 20 5 DGBDMM C[C@@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001576152225 949242763 /nfs/dbraw/zinc/24/27/63/949242763.db2.gz JELZJDRQOUCNTR-BDAKNGLRSA-N -1 1 322.394 3.075 20 5 DGBDMM C[C@@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001576152225 949242785 /nfs/dbraw/zinc/24/27/85/949242785.db2.gz JELZJDRQOUCNTR-BDAKNGLRSA-N -1 1 322.394 3.075 20 5 DGBDMM C[C@@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001576152228 949249479 /nfs/dbraw/zinc/24/94/79/949249479.db2.gz JELZJDRQOUCNTR-RKDXNWHRSA-N -1 1 322.394 3.075 20 5 DGBDMM C[C@@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001576152228 949249492 /nfs/dbraw/zinc/24/94/92/949249492.db2.gz JELZJDRQOUCNTR-RKDXNWHRSA-N -1 1 322.394 3.075 20 5 DGBDMM O=C([O-])[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001594902365 954645593 /nfs/dbraw/zinc/64/55/93/954645593.db2.gz MFKPKGDXBAZOHI-QWHCGFSZSA-N -1 1 318.354 3.059 20 5 DGBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccs1 ZINC001599901575 984841534 /nfs/dbraw/zinc/84/15/34/984841534.db2.gz NZJJDFONQCSLPR-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001161045347 1089092079 /nfs/dbraw/zinc/09/20/79/1089092079.db2.gz BPBCQZRVRMPEHY-QWHCGFSZSA-N -1 1 316.288 3.182 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccc(Br)nc2)ccc1[O-] ZINC001210393139 1093151844 /nfs/dbraw/zinc/15/18/44/1093151844.db2.gz PHMYOKWBNAJJOG-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM Nc1cc(Cl)c(Cl)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395680 1093153244 /nfs/dbraw/zinc/15/32/44/1093153244.db2.gz AWZSRKIQNYKRBR-UHFFFAOYSA-N -1 1 315.116 3.328 20 5 DGBDMM Cc1ccc(OC(C)C)c(COc2[n-]ccc(=O)c2[N+](=O)[O-])c1 ZINC001225667283 1096499477 /nfs/dbraw/zinc/49/94/77/1096499477.db2.gz QXRIHWDBSPHDEF-UHFFFAOYSA-N -1 1 318.329 3.370 20 5 DGBDMM C[C@@H]1CC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860905 1097205176 /nfs/dbraw/zinc/20/51/76/1097205176.db2.gz XSYHVIFVXJOKDJ-RNFRBKRXSA-N -1 1 306.240 3.282 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC(C1CC1)C1CC1 ZINC001228859011 1097205585 /nfs/dbraw/zinc/20/55/85/1097205585.db2.gz HBASHTHXSLAWOJ-UHFFFAOYSA-N -1 1 318.251 3.282 20 5 DGBDMM Cc1nc(O[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382104 1097309627 /nfs/dbraw/zinc/30/96/27/1097309627.db2.gz PUSWOTRUWFVZFS-ZETCQYMHSA-N -1 1 309.709 3.192 20 5 DGBDMM O=C1CCC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CC1 ZINC001233499483 1098353959 /nfs/dbraw/zinc/35/39/59/1098353959.db2.gz ONHVMNIXBZLMDN-UHFFFAOYSA-N -1 1 309.709 3.015 20 5 DGBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC3CC=CC3)c12 ZINC001234741652 1098657716 /nfs/dbraw/zinc/65/77/16/1098657716.db2.gz KCPPOIKHYJNRAF-UHFFFAOYSA-N -1 1 310.305 3.455 20 5 DGBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC1CC(F)(F)C1 ZINC001234875364 1098693401 /nfs/dbraw/zinc/69/34/01/1098693401.db2.gz HAOJRBPUMHTHGO-UHFFFAOYSA-N -1 1 324.077 3.239 20 5 DGBDMM Cc1c(F)ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1Cl ZINC001212893074 1103339716 /nfs/dbraw/zinc/33/97/16/1103339716.db2.gz LJJUZXQWEDVBCY-UHFFFAOYSA-N -1 1 323.671 3.136 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1[O-] ZINC001250881058 1105599107 /nfs/dbraw/zinc/59/91/07/1105599107.db2.gz RVOBFSXITLJPHG-UHFFFAOYSA-N -1 1 306.281 3.392 20 5 DGBDMM Cc1cnc(SCc2ccc([N+](=O)[O-])cc2Cl)[n-]c1=O ZINC001307347911 1111291276 /nfs/dbraw/zinc/29/12/76/1111291276.db2.gz ZCWPUKCTIJSQBJ-UHFFFAOYSA-N -1 1 311.750 3.345 20 5 DGBDMM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000422042328 304004068 /nfs/dbraw/zinc/00/40/68/304004068.db2.gz PFJJLJGXUWXZCL-UHFFFAOYSA-N -1 1 313.313 3.084 20 5 DGBDMM CC(C)(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000265992848 186352067 /nfs/dbraw/zinc/35/20/67/186352067.db2.gz QJFUQOMJYCXDHN-UHFFFAOYSA-N -1 1 303.318 3.353 20 5 DGBDMM O=C(c1cc([O-])ccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433218451 238150875 /nfs/dbraw/zinc/15/08/75/238150875.db2.gz IKNXCIDUZSOSGE-UHFFFAOYSA-N -1 1 318.716 3.157 20 5 DGBDMM C[C@@H](CCC1CCCCC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445004032 239379101 /nfs/dbraw/zinc/37/91/01/239379101.db2.gz DRBPKFADNZHSTP-NSHDSACASA-N -1 1 321.377 3.174 20 5 DGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000338553096 253309807 /nfs/dbraw/zinc/30/98/07/253309807.db2.gz JTJQKCXORPHCSO-UHFFFAOYSA-N -1 1 320.276 3.091 20 5 DGBDMM CC[C@@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C1CC1 ZINC000342833494 254061609 /nfs/dbraw/zinc/06/16/09/254061609.db2.gz BIJUWUJILKZGCN-SECBINFHSA-N -1 1 317.349 3.220 20 5 DGBDMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357616157 285805835 /nfs/dbraw/zinc/80/58/35/285805835.db2.gz DZALHSWRCAAKFH-NEPJUHHUSA-N -1 1 321.377 3.030 20 5 DGBDMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357616160 285805887 /nfs/dbraw/zinc/80/58/87/285805887.db2.gz DZALHSWRCAAKFH-VXGBXAGGSA-N -1 1 321.377 3.030 20 5 DGBDMM CCO[C@H]1C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000092040717 400150444 /nfs/dbraw/zinc/15/04/44/400150444.db2.gz MPXAGXAAAJBULM-HOTGVXAUSA-N -1 1 320.389 3.080 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2ccccn2)C1 ZINC000595502932 400170944 /nfs/dbraw/zinc/17/09/44/400170944.db2.gz OUQCRIROQHTZLU-ZDUSSCGKSA-N -1 1 313.357 3.075 20 5 DGBDMM Cc1cc([N-]c2c(Cl)cncc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000596191609 400346035 /nfs/dbraw/zinc/34/60/35/400346035.db2.gz YZNQMNOSIHGJJQ-VIFPVBQESA-N -1 1 321.768 3.285 20 5 DGBDMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000613512025 400739695 /nfs/dbraw/zinc/73/96/95/400739695.db2.gz FURLJNHQBFQQAZ-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1noc2c1CCCC2 ZINC000282220092 278609663 /nfs/dbraw/zinc/60/96/63/278609663.db2.gz HEHDIGZTMGSVEC-UHFFFAOYSA-N -1 1 319.292 3.161 20 5 DGBDMM Cc1cc(F)c([N-]C(=O)c2noc3c2CCCC3)cc1[N+](=O)[O-] ZINC000282417023 280513112 /nfs/dbraw/zinc/51/31/12/280513112.db2.gz LKOHZZYGSBKBIM-UHFFFAOYSA-N -1 1 319.292 3.161 20 5 DGBDMM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000031555883 431761264 /nfs/dbraw/zinc/76/12/64/431761264.db2.gz RUMQQYMWAGDYLY-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c([O-])c1 ZINC000192713402 432404098 /nfs/dbraw/zinc/40/40/98/432404098.db2.gz KFBTXUKMHWCLTQ-UHFFFAOYSA-N -1 1 316.313 3.178 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000192731566 432407052 /nfs/dbraw/zinc/40/70/52/432407052.db2.gz COTJEPZCTVSFTR-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3nccc4ccccc43)no2)[n-]1 ZINC000349871528 433025634 /nfs/dbraw/zinc/02/56/34/433025634.db2.gz JMZRYJLDMSNJSY-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM COc1cccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1[O-] ZINC000350834877 433299894 /nfs/dbraw/zinc/29/98/94/433299894.db2.gz NUURPCIVLQAEQC-UHFFFAOYSA-N -1 1 319.298 3.088 20 5 DGBDMM CC(C)(NC(=O)c1c([O-])cccc1F)c1ccccc1[N+](=O)[O-] ZINC000436774353 434106464 /nfs/dbraw/zinc/10/64/64/434106464.db2.gz AVTIIVHSLLHQEV-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340545605 434202050 /nfs/dbraw/zinc/20/20/50/434202050.db2.gz VWNPVNWSPOXEOQ-UHFFFAOYSA-N -1 1 315.207 3.074 20 5 DGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000491604089 435777829 /nfs/dbraw/zinc/77/78/29/435777829.db2.gz JBKBCQDNIIUTMO-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000647815602 436128286 /nfs/dbraw/zinc/12/82/86/436128286.db2.gz DHOVCWLXONJZKL-UHFFFAOYSA-N -1 1 318.336 3.377 20 5 DGBDMM CCc1nc(SCc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000566808701 315375585 /nfs/dbraw/zinc/37/55/85/315375585.db2.gz XOESNJPOAOVBON-UHFFFAOYSA-N -1 1 305.359 3.254 20 5 DGBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184075370 323354499 /nfs/dbraw/zinc/35/44/99/323354499.db2.gz QNQVKUNSJPAPLQ-UHFFFAOYSA-N -1 1 305.265 3.160 20 5 DGBDMM Cc1c(COC(=O)c2c([O-])cc(F)cc2F)cccc1[N+](=O)[O-] ZINC000749277988 575641405 /nfs/dbraw/zinc/64/14/05/575641405.db2.gz FUPGGOBRMCXRNX-UHFFFAOYSA-N -1 1 323.251 3.244 20 5 DGBDMM CSc1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000112232405 620802462 /nfs/dbraw/zinc/80/24/62/620802462.db2.gz JSWKZSCRMAEJQR-UHFFFAOYSA-N -1 1 314.269 3.440 20 5 DGBDMM O=C([O-])CC[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000901651851 619529251 /nfs/dbraw/zinc/52/92/51/619529251.db2.gz QERAFMPZKVIABA-CYBMUJFWSA-N -1 1 320.370 3.352 20 5 DGBDMM Cc1c([N-]c2nc3ccccn3c2[N+](=O)[O-])cnn1CC(C)C ZINC000766450121 622330674 /nfs/dbraw/zinc/33/06/74/622330674.db2.gz SKNZVCBCDWSAOC-UHFFFAOYSA-N -1 1 314.349 3.147 20 5 DGBDMM CN(CCc1ccccc1F)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000769029693 622493512 /nfs/dbraw/zinc/49/35/12/622493512.db2.gz NQUDOFSSPQYXSC-UHFFFAOYSA-N -1 1 304.321 3.114 20 5 DGBDMM CCCC(CCC)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821014041 628326755 /nfs/dbraw/zinc/32/67/55/628326755.db2.gz BBGFISYCIXIWPW-UHFFFAOYSA-N -1 1 322.394 3.231 20 5 DGBDMM CCCC(CCC)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821014041 628326756 /nfs/dbraw/zinc/32/67/56/628326756.db2.gz BBGFISYCIXIWPW-UHFFFAOYSA-N -1 1 322.394 3.231 20 5 DGBDMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000827718431 628985622 /nfs/dbraw/zinc/98/56/22/628985622.db2.gz RUKAWXSIYDPCSW-ZUZCIYMTSA-N -1 1 318.304 3.210 20 5 DGBDMM CC[C@@H](NCc1cc(C(=O)[O-])oc1C)c1cccc([N+](=O)[O-])c1 ZINC000833644293 629634531 /nfs/dbraw/zinc/63/45/31/629634531.db2.gz NTNWEJUJNGVWIJ-CQSZACIVSA-N -1 1 318.329 3.435 20 5 DGBDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C)cc([N+](=O)[O-])c1F ZINC000179186659 658376575 /nfs/dbraw/zinc/37/65/75/658376575.db2.gz SNHIPCWTQNYZQR-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(F)c1F ZINC000078285528 662057855 /nfs/dbraw/zinc/05/78/55/662057855.db2.gz ZGGFFEPUZWSGJB-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM CC[C@@H](C)CSc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590410286 1192506285 /nfs/dbraw/zinc/50/62/85/1192506285.db2.gz QENVNHNJQVYIST-SSDOTTSWSA-N -1 1 311.342 3.052 20 5 DGBDMM CC[C@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590507954 1192515559 /nfs/dbraw/zinc/51/55/59/1192515559.db2.gz IVEXLJIMDJAWBE-WDEREUQCSA-N -1 1 316.365 3.156 20 5 DGBDMM CC[C@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590507954 1192515563 /nfs/dbraw/zinc/51/55/63/1192515563.db2.gz IVEXLJIMDJAWBE-WDEREUQCSA-N -1 1 316.365 3.156 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Nc1cccc(Cl)c1 ZINC001593487697 1192631594 /nfs/dbraw/zinc/63/15/94/1192631594.db2.gz FFKAXNSGYLOKRS-UHFFFAOYSA-N -1 1 322.737 3.233 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Nc1cccc(Cl)c1 ZINC001593487697 1192631598 /nfs/dbraw/zinc/63/15/98/1192631598.db2.gz FFKAXNSGYLOKRS-UHFFFAOYSA-N -1 1 322.737 3.233 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCC1=CCCCC1 ZINC001593489284 1192631907 /nfs/dbraw/zinc/63/19/07/1192631907.db2.gz ZAYWEWOAFAAQKE-UHFFFAOYSA-N -1 1 320.378 3.139 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCC1=CCCCC1 ZINC001593489284 1192631914 /nfs/dbraw/zinc/63/19/14/1192631914.db2.gz ZAYWEWOAFAAQKE-UHFFFAOYSA-N -1 1 320.378 3.139 20 5 DGBDMM Cc1cccc([C@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001600552528 1192871322 /nfs/dbraw/zinc/87/13/22/1192871322.db2.gz WKJHTLWNWBKIDI-LBPRGKRZSA-N -1 1 314.341 3.452 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H](C)C1 ZINC001603880199 1193036637 /nfs/dbraw/zinc/03/66/37/1193036637.db2.gz FMIRLTSOPIDOEI-HLTSFMKQSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H](C)C1 ZINC001603880199 1193036640 /nfs/dbraw/zinc/03/66/40/1193036640.db2.gz FMIRLTSOPIDOEI-HLTSFMKQSA-N -1 1 322.394 3.073 20 5 DGBDMM CCC(C)(C)[C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603983677 1193041484 /nfs/dbraw/zinc/04/14/84/1193041484.db2.gz UNYCCBPLQUHISD-ZETCQYMHSA-N -1 1 310.383 3.073 20 5 DGBDMM CCC(C)(C)[C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603983677 1193041486 /nfs/dbraw/zinc/04/14/86/1193041486.db2.gz UNYCCBPLQUHISD-ZETCQYMHSA-N -1 1 310.383 3.073 20 5 DGBDMM C[C@H](NCc1ccsc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001609780874 1193355890 /nfs/dbraw/zinc/35/58/90/1193355890.db2.gz JXDQURLRNMUNNL-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557027966 1189036908 /nfs/dbraw/zinc/03/69/08/1189036908.db2.gz FQIBXTDXGPGJOE-NEPJUHHUSA-N -1 1 321.377 3.032 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001569012670 1190608124 /nfs/dbraw/zinc/60/81/24/1190608124.db2.gz IRDVHICQWXVTCB-UHFFFAOYSA-N -1 1 322.267 3.448 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1[O-] ZINC001638506544 1194721758 /nfs/dbraw/zinc/72/17/58/1194721758.db2.gz GQBQNMLVSVGZCL-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc2ccccc21 ZINC001639173183 1194754373 /nfs/dbraw/zinc/75/43/73/1194754373.db2.gz UKGOGUKTKIQQNZ-UHFFFAOYSA-N -1 1 311.297 3.337 20 5 DGBDMM Cc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1[N+](=O)[O-] ZINC001640613598 1194821923 /nfs/dbraw/zinc/82/19/23/1194821923.db2.gz ZRZNBINAMLCJPF-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM Cc1ccccc1CCN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001658771119 1196298787 /nfs/dbraw/zinc/29/87/87/1196298787.db2.gz NNNYVUJPNYSEPO-UHFFFAOYSA-N -1 1 300.358 3.283 20 5 DGBDMM O=C([O-])c1ccccc1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001595255011 949586406 /nfs/dbraw/zinc/58/64/06/949586406.db2.gz CKGWCRWTMOEJHQ-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM O=C([O-])[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001594902366 954645725 /nfs/dbraw/zinc/64/57/25/954645725.db2.gz MFKPKGDXBAZOHI-STQMWFEESA-N -1 1 318.354 3.059 20 5 DGBDMM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC001599901846 984848615 /nfs/dbraw/zinc/84/86/15/984848615.db2.gz YDYXIHMQGHHQON-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM CC(C)(NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccs1 ZINC001590870334 990771422 /nfs/dbraw/zinc/77/14/22/990771422.db2.gz AIFWDSXWVVCYJF-UHFFFAOYSA-N -1 1 320.370 3.379 20 5 DGBDMM CC(C)(NCc1csc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001590872874 990783526 /nfs/dbraw/zinc/78/35/26/990783526.db2.gz ZYRJOFYYWHUXPN-UHFFFAOYSA-N -1 1 320.370 3.379 20 5 DGBDMM O=C([N-]c1c(F)ccnc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC001129484470 1082477139 /nfs/dbraw/zinc/47/71/39/1082477139.db2.gz YMGNLMYWSRACCV-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625892975 1083280269 /nfs/dbraw/zinc/28/02/69/1083280269.db2.gz CHVYGEOGHJBBGE-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM O=c1nc(Cl)cc(Oc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC001184624842 1084227169 /nfs/dbraw/zinc/22/71/69/1084227169.db2.gz JLYBORLVGFBAIA-UHFFFAOYSA-N -1 1 302.073 3.190 20 5 DGBDMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)ccc1[N+](=O)[O-] ZINC001157806174 1090117068 /nfs/dbraw/zinc/11/70/68/1090117068.db2.gz WRKYMULGQLWLCB-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM O=[N+]([O-])c1ccc(Nc2cccc([O-])c2Br)cn1 ZINC001203586408 1090762414 /nfs/dbraw/zinc/76/24/14/1090762414.db2.gz YRDHSOCEDKBQHI-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc([O-])c1F ZINC001295038328 1091491225 /nfs/dbraw/zinc/49/12/25/1091491225.db2.gz PIICAGLOYXHWNB-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccc(N3CCCCC3)nc2)ccc1[O-] ZINC001210392229 1093152418 /nfs/dbraw/zinc/15/24/18/1093152418.db2.gz ATBWTXQPPIVIIX-UHFFFAOYSA-N -1 1 314.345 3.429 20 5 DGBDMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952230 1093334077 /nfs/dbraw/zinc/33/40/77/1093334077.db2.gz BRRVCBZWAAZPPG-UHFFFAOYSA-N -1 1 316.244 3.290 20 5 DGBDMM O=C(c1c([O-])cccc1Cl)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116150729 1095470425 /nfs/dbraw/zinc/47/04/25/1095470425.db2.gz OZHOYZPWBZEOFD-UHFFFAOYSA-N -1 1 318.716 3.110 20 5 DGBDMM O=c1[n-]cncc1O[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001227052349 1096853694 /nfs/dbraw/zinc/85/36/94/1096853694.db2.gz YZLQOGUVDCFRCV-MRXNPFEDSA-N -1 1 323.308 3.259 20 5 DGBDMM CC(C)C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)C ZINC001229397711 1097312678 /nfs/dbraw/zinc/31/26/78/1097312678.db2.gz KKQMTMHFKWRKIU-CQSZACIVSA-N -1 1 311.334 3.046 20 5 DGBDMM Cc1cc([O-])c(OCc2ccnc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC001229754842 1097377050 /nfs/dbraw/zinc/37/70/50/1097377050.db2.gz TXFFTTNEDIZYMV-UHFFFAOYSA-N -1 1 318.329 3.370 20 5 DGBDMM CCOC(=O)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])CC1 ZINC001229753396 1097377118 /nfs/dbraw/zinc/37/71/18/1097377118.db2.gz IKEURPYAGRWDTM-HAQNSBGRSA-N -1 1 323.345 3.110 20 5 DGBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233501007 1098353215 /nfs/dbraw/zinc/35/32/15/1098353215.db2.gz WQEDMWODICLCFG-BYPYZUCNSA-N -1 1 309.631 3.454 20 5 DGBDMM C[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cnccn1 ZINC001233507559 1098356334 /nfs/dbraw/zinc/35/63/34/1098356334.db2.gz YUYONFOLAXAAFO-SSDOTTSWSA-N -1 1 319.708 3.055 20 5 DGBDMM CC[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124841 1098499673 /nfs/dbraw/zinc/49/96/73/1098499673.db2.gz LOFRAPIMPWJZLY-QMMMGPOBSA-N -1 1 316.309 3.240 20 5 DGBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC3CC=CC3)c12 ZINC001234745566 1098657899 /nfs/dbraw/zinc/65/78/99/1098657899.db2.gz VCJFYGFMMKXRTF-UHFFFAOYSA-N -1 1 310.305 3.455 20 5 DGBDMM O=[N+]([O-])c1cc(O)cc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001199801222 1102217326 /nfs/dbraw/zinc/21/73/26/1102217326.db2.gz BYILORIUVDIFAD-UHFFFAOYSA-N -1 1 303.299 3.359 20 5 DGBDMM Cn1c2ccc3ncccc3c2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251390044 1105656001 /nfs/dbraw/zinc/65/60/01/1105656001.db2.gz YKMCKSGYEPYZLY-UHFFFAOYSA-N -1 1 320.308 3.402 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000005260125 181223421 /nfs/dbraw/zinc/22/34/21/181223421.db2.gz OXRGUMKNDYTSQY-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000014257035 181946015 /nfs/dbraw/zinc/94/60/15/181946015.db2.gz VLCQQYNQSUVMQN-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000014256191 181946207 /nfs/dbraw/zinc/94/62/07/181946207.db2.gz ZZQIGQVRCFNJQT-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ocnc1C1CC1 ZINC000288667012 220333729 /nfs/dbraw/zinc/33/37/29/220333729.db2.gz BZFGUOORHXOLDO-UHFFFAOYSA-N -1 1 305.265 3.160 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc([O-])cc1F ZINC000590549886 400395314 /nfs/dbraw/zinc/39/53/14/400395314.db2.gz HHXSDZKZPKIXDI-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444734 400685893 /nfs/dbraw/zinc/68/58/93/400685893.db2.gz ROTFFLKPAVQSQU-GFCCVEGCSA-N -1 1 312.753 3.077 20 5 DGBDMM CC(C)CCN(CCC(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188148486 165115429 /nfs/dbraw/zinc/11/54/29/165115429.db2.gz PWBNPQJBMHWFBY-UHFFFAOYSA-N -1 1 323.393 3.230 20 5 DGBDMM CCCOc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000348196779 264362898 /nfs/dbraw/zinc/36/28/98/264362898.db2.gz WYFSYYHBWXGSRD-UHFFFAOYSA-N -1 1 307.281 3.103 20 5 DGBDMM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000362495402 271031208 /nfs/dbraw/zinc/03/12/08/271031208.db2.gz WXKOIWSEWKFKQO-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM CCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000080923373 431778193 /nfs/dbraw/zinc/77/81/93/431778193.db2.gz FHFSGVWXYZFXGQ-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000037011349 431842363 /nfs/dbraw/zinc/84/23/63/431842363.db2.gz ZVRDMALYDORQRQ-UHFFFAOYSA-N -1 1 324.134 3.246 20 5 DGBDMM CCc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c([O-])c1 ZINC000191723300 432295297 /nfs/dbraw/zinc/29/52/97/432295297.db2.gz FILVAUXWJIBMEG-UHFFFAOYSA-N -1 1 312.325 3.066 20 5 DGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000174987781 432387493 /nfs/dbraw/zinc/38/74/93/432387493.db2.gz LJLYVTPUFKWTPD-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000341636699 433180944 /nfs/dbraw/zinc/18/09/44/433180944.db2.gz JOOWFGQYJYXHBU-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298866191 433266661 /nfs/dbraw/zinc/26/66/61/433266661.db2.gz UZTACOXKZPWYRI-UHFFFAOYSA-N -1 1 315.329 3.497 20 5 DGBDMM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000426740908 433578066 /nfs/dbraw/zinc/57/80/66/433578066.db2.gz JCEJIGVPBQHGQG-AWEZNQCLSA-N -1 1 320.732 3.164 20 5 DGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC(C)C ZINC000427627177 433740955 /nfs/dbraw/zinc/74/09/55/433740955.db2.gz XWYGLZKROOUIBC-UHFFFAOYSA-N -1 1 303.318 3.271 20 5 DGBDMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357616159 434104186 /nfs/dbraw/zinc/10/41/86/434104186.db2.gz DZALHSWRCAAKFH-RYUDHWBXSA-N -1 1 321.377 3.030 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000519202637 294758357 /nfs/dbraw/zinc/75/83/57/294758357.db2.gz GNUKSEKGXNCCAE-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2ccncc2)C1 ZINC000451001834 434524859 /nfs/dbraw/zinc/52/48/59/434524859.db2.gz IRCKBTITPYEGPJ-AWEZNQCLSA-N -1 1 313.357 3.075 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(CCn3ccc4ccccc43)no2)[n-]1 ZINC000350589419 312923064 /nfs/dbraw/zinc/92/30/64/312923064.db2.gz BMRXBTCPCLDRSI-UHFFFAOYSA-N -1 1 323.312 3.170 20 5 DGBDMM O=C([N-]c1nnc(C2CC2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000021292225 323209531 /nfs/dbraw/zinc/20/95/31/323209531.db2.gz VZQOXMNSCKYXEG-UHFFFAOYSA-N -1 1 324.749 3.229 20 5 DGBDMM Cc1cc(F)ccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000750811146 575752757 /nfs/dbraw/zinc/75/27/57/575752757.db2.gz DPWIDPXWXUHWCE-UHFFFAOYSA-N -1 1 305.261 3.105 20 5 DGBDMM CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000918007085 620691117 /nfs/dbraw/zinc/69/11/17/620691117.db2.gz JIQOYOOBLRDDKL-UHFFFAOYSA-N -1 1 302.334 3.021 20 5 DGBDMM CC(C)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000918656263 620718138 /nfs/dbraw/zinc/71/81/38/620718138.db2.gz IRSVZSSSLKLWBV-UHFFFAOYSA-N -1 1 320.324 3.159 20 5 DGBDMM O=C(Nc1cccc(N2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000919863316 620769665 /nfs/dbraw/zinc/76/96/65/620769665.db2.gz KSFLJZOTUNKCSH-UHFFFAOYSA-N -1 1 314.345 3.166 20 5 DGBDMM CCN(CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000901601089 619523341 /nfs/dbraw/zinc/52/33/41/619523341.db2.gz CMSVOAMHICWFBW-UHFFFAOYSA-N -1 1 321.160 3.198 20 5 DGBDMM C[C@H](NCc1nc2c(s1)CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903191652 619733349 /nfs/dbraw/zinc/73/33/49/619733349.db2.gz ZLFPIOJWSBHMRW-VIFPVBQESA-N -1 1 319.386 3.096 20 5 DGBDMM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000755615758 621581209 /nfs/dbraw/zinc/58/12/09/621581209.db2.gz OTHFHNWMAONQPF-CSKARUKUSA-N -1 1 316.288 3.482 20 5 DGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000769045961 622494309 /nfs/dbraw/zinc/49/43/09/622494309.db2.gz FFFKPSQVFKIFBM-MRVPVSSYSA-N -1 1 323.251 3.497 20 5 DGBDMM CCOc1ccccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075738 623858663 /nfs/dbraw/zinc/85/86/63/623858663.db2.gz LQKYCTNOGJFFSV-UHFFFAOYSA-N -1 1 317.297 3.056 20 5 DGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780075724 623858792 /nfs/dbraw/zinc/85/87/92/623858792.db2.gz LNQZFPTZVNLMIP-VIFPVBQESA-N -1 1 305.261 3.358 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(CC3CCC(F)(F)CC3)no2)[n-]1 ZINC000924261968 627619384 /nfs/dbraw/zinc/61/93/84/627619384.db2.gz NHOWZJFGYHEKCA-UHFFFAOYSA-N -1 1 312.276 3.341 20 5 DGBDMM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000013616036 655636984 /nfs/dbraw/zinc/63/69/84/655636984.db2.gz JVYYPXLIZVPGAD-GHXNOFRVSA-N -1 1 316.294 3.179 20 5 DGBDMM C=COc1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001588717219 1192452428 /nfs/dbraw/zinc/45/24/28/1192452428.db2.gz UTSCCSVANQJIGK-UHFFFAOYSA-N -1 1 324.300 3.041 20 5 DGBDMM C=COc1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001588717219 1192452429 /nfs/dbraw/zinc/45/24/29/1192452429.db2.gz UTSCCSVANQJIGK-UHFFFAOYSA-N -1 1 324.300 3.041 20 5 DGBDMM CC(C)(C)C(C)(C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589086239 1192457119 /nfs/dbraw/zinc/45/71/19/1192457119.db2.gz UIROXGMTSTUNHG-UHFFFAOYSA-N -1 1 304.354 3.012 20 5 DGBDMM CCc1cccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001590896015 1192556128 /nfs/dbraw/zinc/55/61/28/1192556128.db2.gz SUSKWAPKRUYWEA-UHFFFAOYSA-N -1 1 311.301 3.130 20 5 DGBDMM CCc1cccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001590896015 1192556130 /nfs/dbraw/zinc/55/61/30/1192556130.db2.gz SUSKWAPKRUYWEA-UHFFFAOYSA-N -1 1 311.301 3.130 20 5 DGBDMM O=[N+]([O-])c1c(Sc2ccccc2F)cccc1-c1nnn[n-]1 ZINC001593468630 1192631716 /nfs/dbraw/zinc/63/17/16/1192631716.db2.gz HIZXMWSUTGIDQH-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=[N+]([O-])c1c(Sc2ccccc2F)cccc1-c1nn[n-]n1 ZINC001593468630 1192631717 /nfs/dbraw/zinc/63/17/17/1192631717.db2.gz HIZXMWSUTGIDQH-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM C[C@H](NCc1csc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001604348416 1193068895 /nfs/dbraw/zinc/06/88/95/1193068895.db2.gz MZSYVBKCYPCJSV-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM C[C@@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604467965 1193074112 /nfs/dbraw/zinc/07/41/12/1193074112.db2.gz LEIYGGYZLLMJHV-LBPRGKRZSA-N -1 1 314.341 3.486 20 5 DGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(Cl)n1 ZINC001523894078 1187198133 /nfs/dbraw/zinc/19/81/33/1187198133.db2.gz BQMQQQZCPBJKTR-UHFFFAOYSA-N -1 1 315.713 3.405 20 5 DGBDMM O=C(Nc1ccccc1Oc1ccccn1)c1ccc([N+](=O)[O-])[n-]1 ZINC001558635934 1189138980 /nfs/dbraw/zinc/13/89/80/1189138980.db2.gz KZQQGBKHYITROR-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM O=C([N-]c1ccnc(F)c1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001618230478 1193730200 /nfs/dbraw/zinc/73/02/00/1193730200.db2.gz QZSCDUNWEPBDTN-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c([O-])c1 ZINC001622958260 1193916533 /nfs/dbraw/zinc/91/65/33/1193916533.db2.gz XNBBUTNPSOPVCP-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM Cc1ccc([O-])c(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 ZINC001626416858 1194076517 /nfs/dbraw/zinc/07/65/17/1194076517.db2.gz NVENNZHEYROUMA-UHFFFAOYSA-N -1 1 321.720 3.218 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001641036055 1194836425 /nfs/dbraw/zinc/83/64/25/1194836425.db2.gz XQNUMKHCTVRKOW-RYUDHWBXSA-N -1 1 316.288 3.182 20 5 DGBDMM CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC001642863789 1194949214 /nfs/dbraw/zinc/94/92/14/1194949214.db2.gz DTJHDPRJUQVXLO-UHFFFAOYSA-N -1 1 307.281 3.103 20 5 DGBDMM O=[N+]([O-])c1cncc(Cl)c1NCc1ccc([O-])c(Cl)c1 ZINC001652191848 1195560025 /nfs/dbraw/zinc/56/00/25/1195560025.db2.gz SWQQQCFRPQBFSF-UHFFFAOYSA-N -1 1 314.128 3.036 20 5 DGBDMM CN(Cc1ccc([O-])c(F)c1F)Cc1ccccc1[N+](=O)[O-] ZINC001663708543 1196932458 /nfs/dbraw/zinc/93/24/58/1196932458.db2.gz DKHDVQYNTBUJSY-UHFFFAOYSA-N -1 1 308.284 3.211 20 5 DGBDMM C[C@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001576152226 949245209 /nfs/dbraw/zinc/24/52/09/949245209.db2.gz JELZJDRQOUCNTR-DTWKUNHWSA-N -1 1 322.394 3.075 20 5 DGBDMM C[C@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001576152226 949245223 /nfs/dbraw/zinc/24/52/23/949245223.db2.gz JELZJDRQOUCNTR-DTWKUNHWSA-N -1 1 322.394 3.075 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)nnc2Cl)ccc1[O-] ZINC001210392826 1093152491 /nfs/dbraw/zinc/15/24/91/1093152491.db2.gz KGDQWULGBXYKQE-UHFFFAOYSA-N -1 1 301.089 3.141 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccnc(OC(F)(F)F)c2)ccc1[O-] ZINC001210395726 1093153800 /nfs/dbraw/zinc/15/38/00/1093153800.db2.gz DJSQEPDTRUUSOW-UHFFFAOYSA-N -1 1 315.207 3.338 20 5 DGBDMM Cc1c(Nc2ccc([O-])c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211297154 1093449493 /nfs/dbraw/zinc/44/94/93/1093449493.db2.gz ZIQXYYQNXRZPHZ-UHFFFAOYSA-N -1 1 307.237 3.400 20 5 DGBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(Cl)ncc2[O-])c1F ZINC001215289294 1093951965 /nfs/dbraw/zinc/95/19/65/1093951965.db2.gz IAYKDOLWPAMQIY-UHFFFAOYSA-N -1 1 301.636 3.371 20 5 DGBDMM O=c1[n-]cnc(OC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC001228144610 1097061359 /nfs/dbraw/zinc/06/13/59/1097061359.db2.gz WHRXEEQHWNGKQL-UHFFFAOYSA-N -1 1 323.308 3.259 20 5 DGBDMM O=c1c2ccc([O-])cc2oc2cc(OC[C@@H]3CCCO3)ccc12 ZINC001229518787 1097338016 /nfs/dbraw/zinc/33/80/16/1097338016.db2.gz XJVZQBYRXSMGRD-ZDUSSCGKSA-N -1 1 312.321 3.210 20 5 DGBDMM Cc1cc([O-])c(OCc2cncc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC001229753101 1097377179 /nfs/dbraw/zinc/37/71/79/1097377179.db2.gz HHNKHIBFHIVPFR-UHFFFAOYSA-N -1 1 318.329 3.370 20 5 DGBDMM Cc1cn2c(n1)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])CCC2 ZINC001229753414 1097377768 /nfs/dbraw/zinc/37/77/68/1097377768.db2.gz IZBWXSNYRIRVQS-CYBMUJFWSA-N -1 1 303.318 3.028 20 5 DGBDMM Cc1cc([O-])c(OCc2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC001229755682 1097378599 /nfs/dbraw/zinc/37/85/99/1097378599.db2.gz ZKWLQVPTSUPSRE-UHFFFAOYSA-N -1 1 318.329 3.370 20 5 DGBDMM C[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233501009 1098353057 /nfs/dbraw/zinc/35/30/57/1098353057.db2.gz WQEDMWODICLCFG-SCSAIBSYSA-N -1 1 309.631 3.454 20 5 DGBDMM O=C([N-]c1cscc1Br)c1ccc([N+](=O)[O-])o1 ZINC001274131208 1104257424 /nfs/dbraw/zinc/25/74/24/1104257424.db2.gz UQIHEHBHFUIGSS-UHFFFAOYSA-N -1 1 317.120 3.264 20 5 DGBDMM Cn1c(-c2cc([N+](=O)[O-])c(O)cc2[O-])nc2cccc(Cl)c21 ZINC001251086443 1105627744 /nfs/dbraw/zinc/62/77/44/1105627744.db2.gz BHDNIPDACJJOGE-UHFFFAOYSA-N -1 1 319.704 3.213 20 5 DGBDMM Cn1c(-c2cc([N+](=O)[O-])c([O-])cc2O)nc2cccc(Cl)c21 ZINC001251086443 1105627747 /nfs/dbraw/zinc/62/77/47/1105627747.db2.gz BHDNIPDACJJOGE-UHFFFAOYSA-N -1 1 319.704 3.213 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nc3c(ccc(F)c3Cl)[nH]2)c([O-])cc1O ZINC001251087549 1105628063 /nfs/dbraw/zinc/62/80/63/1105628063.db2.gz NAWCPJOJNPTIMW-UHFFFAOYSA-N -1 1 323.667 3.342 20 5 DGBDMM COc1cc([O-])c(-c2nc3cc(C)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC001251778714 1105695094 /nfs/dbraw/zinc/69/50/94/1105695094.db2.gz MYALCSARJRXNKV-UHFFFAOYSA-N -1 1 317.276 3.300 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001306784540 1111241145 /nfs/dbraw/zinc/24/11/45/1111241145.db2.gz YOHCXFINKCRXCR-QWHCGFSZSA-N -1 1 316.288 3.182 20 5 DGBDMM C[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000133381292 432062387 /nfs/dbraw/zinc/06/23/87/432062387.db2.gz OGINBLVZVOINHG-LBPRGKRZSA-N -1 1 320.370 3.140 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000075082584 283812753 /nfs/dbraw/zinc/81/27/53/283812753.db2.gz JTZQBIJGXFIDHU-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCCc1nc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)co1 ZINC000282605642 217121961 /nfs/dbraw/zinc/12/19/61/217121961.db2.gz KIWJJAWLTZPTNS-UHFFFAOYSA-N -1 1 307.281 3.235 20 5 DGBDMM O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000129543556 284413856 /nfs/dbraw/zinc/41/38/56/284413856.db2.gz IJZAPXQOASYNCZ-UHFFFAOYSA-N -1 1 321.720 3.004 20 5 DGBDMM O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342787980 254050926 /nfs/dbraw/zinc/05/09/26/254050926.db2.gz WRMSBYCQSHJXQE-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM C/C=C\c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000588853532 400236293 /nfs/dbraw/zinc/23/62/93/400236293.db2.gz IKKHYEBZDDTEST-RQOWECAXSA-N -1 1 318.354 3.429 20 5 DGBDMM CC(C)(C)OCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000610626893 400283350 /nfs/dbraw/zinc/28/33/50/400283350.db2.gz IGNHVKSYLIPPEP-UHFFFAOYSA-N -1 1 317.345 3.490 20 5 DGBDMM CC(C)(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1O ZINC000359542083 286331745 /nfs/dbraw/zinc/33/17/45/286331745.db2.gz LDTQUSXJWGKPJJ-UHFFFAOYSA-N -1 1 303.318 3.178 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)[n-]1 ZINC000356022960 266259600 /nfs/dbraw/zinc/25/96/00/266259600.db2.gz OISFTIIGSQPNIC-UHFFFAOYSA-N -1 1 304.693 3.217 20 5 DGBDMM CCc1c(C)sc2[n-]c(-c3ccc([N+](=O)[O-])o3)nc(=O)c12 ZINC000340024577 276657941 /nfs/dbraw/zinc/65/79/41/276657941.db2.gz YCMSFNFZNYHWTA-UHFFFAOYSA-N -1 1 305.315 3.436 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C ZINC000014253953 431587846 /nfs/dbraw/zinc/58/78/46/431587846.db2.gz LGESBXKJSWZBPG-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000344187725 433852537 /nfs/dbraw/zinc/85/25/37/433852537.db2.gz ITQPGBMEBXWSRY-UHFFFAOYSA-N -1 1 318.314 3.007 20 5 DGBDMM CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000501579810 294145051 /nfs/dbraw/zinc/14/50/51/294145051.db2.gz MANCYIZNYHMTRU-UHFFFAOYSA-N -1 1 303.318 3.354 20 5 DGBDMM CSCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340539630 434197581 /nfs/dbraw/zinc/19/75/81/434197581.db2.gz SJCRSRNGENDOTE-UHFFFAOYSA-N -1 1 305.359 3.081 20 5 DGBDMM O=[N+]([O-])c1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481520 434805677 /nfs/dbraw/zinc/80/56/77/434805677.db2.gz LGZZAJACZXIQQC-UHFFFAOYSA-N -1 1 301.233 3.157 20 5 DGBDMM COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000534878674 435302611 /nfs/dbraw/zinc/30/26/11/435302611.db2.gz SNMIXQZXEABKPI-UHFFFAOYSA-N -1 1 313.313 3.469 20 5 DGBDMM CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC000552287580 435892490 /nfs/dbraw/zinc/89/24/90/435892490.db2.gz WIYXZONRSHVCCA-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc4ccccc4c3)no2)[n-]1 ZINC000545705959 314263253 /nfs/dbraw/zinc/26/32/53/314263253.db2.gz UNICFMKXYDYQOQ-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM CC[C@@](NCc1csc([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736920368 574811301 /nfs/dbraw/zinc/81/13/01/574811301.db2.gz MGUGEYVVVXNZNW-HNNXBMFYSA-N -1 1 320.370 3.136 20 5 DGBDMM O=C([O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000739503930 574905561 /nfs/dbraw/zinc/90/55/61/574905561.db2.gz DJPUKFMALVNDMH-AWEZNQCLSA-N -1 1 320.732 3.164 20 5 DGBDMM CC(C)(C)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)co1 ZINC000875053986 623412381 /nfs/dbraw/zinc/41/23/81/623412381.db2.gz DKBKFIFXMILYDU-UHFFFAOYSA-N -1 1 307.281 3.272 20 5 DGBDMM CC(C)CSCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075791 623858478 /nfs/dbraw/zinc/85/84/78/623858478.db2.gz PLYXMXCXUGNMHF-UHFFFAOYSA-N -1 1 313.375 3.237 20 5 DGBDMM COc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c([O-])c1 ZINC000135425162 626930137 /nfs/dbraw/zinc/93/01/37/626930137.db2.gz YTBZNVUFOGDAEQ-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000928784879 628188020 /nfs/dbraw/zinc/18/80/20/628188020.db2.gz QJHAFKFCLBAOMF-UHFFFAOYSA-N -1 1 307.281 3.406 20 5 DGBDMM CC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC000833643500 629634692 /nfs/dbraw/zinc/63/46/92/629634692.db2.gz BQBJJNFZURLPQO-CQSZACIVSA-N -1 1 318.329 3.435 20 5 DGBDMM CCc1noc(C)c1[N-]C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843839593 630701847 /nfs/dbraw/zinc/70/18/47/630701847.db2.gz RJXFBFRZOLRXKR-UHFFFAOYSA-N -1 1 307.281 3.153 20 5 DGBDMM CCc1nc(SCc2cc(F)ccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000849922001 632006616 /nfs/dbraw/zinc/00/66/16/632006616.db2.gz ZIUOLNLUXHIXCS-UHFFFAOYSA-N -1 1 323.349 3.393 20 5 DGBDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000080923912 662156271 /nfs/dbraw/zinc/15/62/71/662156271.db2.gz RQTRPQXYTNQXBS-UHFFFAOYSA-N -1 1 324.333 3.097 20 5 DGBDMM CC1(C)CCC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590094721 1192487460 /nfs/dbraw/zinc/48/74/60/1192487460.db2.gz SEKLSHUSTAWLPD-QMMMGPOBSA-N -1 1 322.394 3.217 20 5 DGBDMM CC1(C)CCC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590094721 1192487463 /nfs/dbraw/zinc/48/74/63/1192487463.db2.gz SEKLSHUSTAWLPD-QMMMGPOBSA-N -1 1 322.394 3.217 20 5 DGBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC001590316773 1192500296 /nfs/dbraw/zinc/50/02/96/1192500296.db2.gz VBWUDEQCRQNKNH-SNVBAGLBSA-N -1 1 322.328 3.030 20 5 DGBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC001590316773 1192500298 /nfs/dbraw/zinc/50/02/98/1192500298.db2.gz VBWUDEQCRQNKNH-SNVBAGLBSA-N -1 1 322.328 3.030 20 5 DGBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001590472015 1192511516 /nfs/dbraw/zinc/51/15/16/1192511516.db2.gz QBXSTMXHNCJEAH-SFYZADRCSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001590472015 1192511520 /nfs/dbraw/zinc/51/15/20/1192511520.db2.gz QBXSTMXHNCJEAH-SFYZADRCSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590507952 1192516405 /nfs/dbraw/zinc/51/64/05/1192516405.db2.gz IVEXLJIMDJAWBE-MNOVXSKESA-N -1 1 316.365 3.156 20 5 DGBDMM CC[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590507952 1192516408 /nfs/dbraw/zinc/51/64/08/1192516408.db2.gz IVEXLJIMDJAWBE-MNOVXSKESA-N -1 1 316.365 3.156 20 5 DGBDMM Cc1cc(C(=O)[O-])ccc1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC001600116749 1192791186 /nfs/dbraw/zinc/79/11/86/1192791186.db2.gz LUOUACQIJWCYPV-LBPRGKRZSA-N -1 1 314.341 3.452 20 5 DGBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001357331834 1181388249 /nfs/dbraw/zinc/38/82/49/1181388249.db2.gz LOBQQUUVSKXVQE-UHFFFAOYSA-N -1 1 323.211 3.034 20 5 DGBDMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001471800101 1183591008 /nfs/dbraw/zinc/59/10/08/1183591008.db2.gz AEEGZEHJAIETJQ-SECBINFHSA-N -1 1 320.732 3.445 20 5 DGBDMM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccccc1[O-] ZINC001611516282 1193436401 /nfs/dbraw/zinc/43/64/01/1193436401.db2.gz ZIDFAHMUTLJVFH-UHFFFAOYSA-N -1 1 309.281 3.101 20 5 DGBDMM CCc1nc(S/C=C\c2ccc([N+](=O)[O-])o2)[n-]c(=O)c1C ZINC001613845093 1193477451 /nfs/dbraw/zinc/47/74/51/1193477451.db2.gz UADWHQCCKCLWIK-SREVYHEPSA-N -1 1 307.331 3.317 20 5 DGBDMM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557027967 1189036449 /nfs/dbraw/zinc/03/64/49/1189036449.db2.gz FQIBXTDXGPGJOE-NWDGAFQWSA-N -1 1 321.377 3.032 20 5 DGBDMM CCc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001557086854 1189039800 /nfs/dbraw/zinc/03/98/00/1189039800.db2.gz ISXLBATUYHJWOZ-UHFFFAOYSA-N -1 1 322.267 3.393 20 5 DGBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001625650664 1194062113 /nfs/dbraw/zinc/06/21/13/1194062113.db2.gz PZPZMECLIQFUGD-UHFFFAOYSA-N -1 1 320.276 3.091 20 5 DGBDMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001635724742 1194568170 /nfs/dbraw/zinc/56/81/70/1194568170.db2.gz AYFUCCXKJGVKPQ-SECBINFHSA-N -1 1 304.277 3.182 20 5 DGBDMM CN(C)c1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2c1 ZINC001636048739 1194589553 /nfs/dbraw/zinc/58/95/53/1194589553.db2.gz ZGMIZPHJKRXECN-UHFFFAOYSA-N -1 1 324.340 3.394 20 5 DGBDMM CC1(C)CCC(C)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001638800480 1194738456 /nfs/dbraw/zinc/73/84/56/1194738456.db2.gz DYGNTVDUSOFMIE-UHFFFAOYSA-N -1 1 321.377 3.032 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001641036054 1194836760 /nfs/dbraw/zinc/83/67/60/1194836760.db2.gz XQNUMKHCTVRKOW-NWDGAFQWSA-N -1 1 316.288 3.182 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H]1C ZINC001576153537 949288828 /nfs/dbraw/zinc/28/88/28/949288828.db2.gz MYHDIWYROVQHAO-SCVCMEIPSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC001576153537 949288849 /nfs/dbraw/zinc/28/88/49/949288849.db2.gz MYHDIWYROVQHAO-SCVCMEIPSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H]1C ZINC001576153534 949291363 /nfs/dbraw/zinc/29/13/63/949291363.db2.gz MYHDIWYROVQHAO-JFGNBEQYSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC001576153534 949291389 /nfs/dbraw/zinc/29/13/89/949291389.db2.gz MYHDIWYROVQHAO-JFGNBEQYSA-N -1 1 316.365 3.012 20 5 DGBDMM CC(=O)c1ccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1[O-] ZINC001648794509 1081776605 /nfs/dbraw/zinc/77/66/05/1081776605.db2.gz OBZBVJQMULGDKX-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001181538392 1083486333 /nfs/dbraw/zinc/48/63/33/1083486333.db2.gz QBNDXXVBSAZWLR-MRVPVSSYSA-N -1 1 305.721 3.168 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccnn2-c2ccc(F)cc2)ccc1[O-] ZINC001210393540 1093152242 /nfs/dbraw/zinc/15/22/42/1093152242.db2.gz FHBBZEXYWOJSHV-UHFFFAOYSA-N -1 1 314.276 3.369 20 5 DGBDMM COC(=O)c1c(C)scc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393500 1093152431 /nfs/dbraw/zinc/15/24/31/1093152431.db2.gz CILMIJWRLZURIS-UHFFFAOYSA-N -1 1 308.315 3.201 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cn3c(cccc3Cl)n2)ccc1[O-] ZINC001210395740 1093153590 /nfs/dbraw/zinc/15/35/90/1093153590.db2.gz FGMIZRSZFOFCHN-UHFFFAOYSA-N -1 1 304.693 3.345 20 5 DGBDMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1[N+](=O)[O-] ZINC001213663567 1093636446 /nfs/dbraw/zinc/63/64/46/1093636446.db2.gz NBQYLGMELOZSCK-UHFFFAOYSA-N -1 1 312.281 3.459 20 5 DGBDMM CCOC(=O)c1scnc1[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214165537 1093725626 /nfs/dbraw/zinc/72/56/26/1093725626.db2.gz WWBYITNDVYVLIU-UHFFFAOYSA-N -1 1 307.331 3.280 20 5 DGBDMM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1c([O-])cccc1F ZINC001146492250 1096042749 /nfs/dbraw/zinc/04/27/49/1096042749.db2.gz LJUKAPSCAGQKTK-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM Cc1ccc(COc2[n-]ccc(=O)c2[N+](=O)[O-])c(OC(C)C)c1 ZINC001225663216 1096498387 /nfs/dbraw/zinc/49/83/87/1096498387.db2.gz AHKLFHIEMOWBOP-UHFFFAOYSA-N -1 1 318.329 3.370 20 5 DGBDMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001225679565 1096502423 /nfs/dbraw/zinc/50/24/23/1096502423.db2.gz QKWLAGQLSOSHRL-SNVBAGLBSA-N -1 1 317.297 3.349 20 5 DGBDMM COc1ccccc1OC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229394735 1097312126 /nfs/dbraw/zinc/31/21/26/1097312126.db2.gz BOKIXYWCBYDMIT-NSHDSACASA-N -1 1 319.313 3.155 20 5 DGBDMM CCO[C@@H](C)COc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229514687 1097337170 /nfs/dbraw/zinc/33/71/70/1097337170.db2.gz LSBGQZXGELGKQS-NSHDSACASA-N -1 1 314.337 3.456 20 5 DGBDMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175900964 1098202798 /nfs/dbraw/zinc/20/27/98/1098202798.db2.gz GOSLRWFNHVKDQN-BQYQJAHWSA-N -1 1 324.292 3.490 20 5 DGBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cncnc1 ZINC001233498702 1098353443 /nfs/dbraw/zinc/35/34/43/1098353443.db2.gz MUMSDGAPIJBAFE-ZETCQYMHSA-N -1 1 319.708 3.055 20 5 DGBDMM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2n1 ZINC001176673162 1098403512 /nfs/dbraw/zinc/40/35/12/1098403512.db2.gz SRDFQVHTAHUTEU-UHFFFAOYSA-N -1 1 323.308 3.315 20 5 DGBDMM C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001234880629 1098696166 /nfs/dbraw/zinc/69/61/66/1098696166.db2.gz FIAXWTZBEUIOEA-ZCFIWIBFSA-N -1 1 302.124 3.240 20 5 DGBDMM CC(C)(C)c1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1 ZINC001212893091 1103339443 /nfs/dbraw/zinc/33/94/43/1103339443.db2.gz LXMJRCCMENMMDE-UHFFFAOYSA-N -1 1 313.317 3.332 20 5 DGBDMM CC[C@H](C)S(=O)(=O)[N-]c1cccc2nc3ccccc3nc12 ZINC001260741372 1107310096 /nfs/dbraw/zinc/31/00/96/1107310096.db2.gz FVXODUWQJZFUCU-NSHDSACASA-N -1 1 315.398 3.323 20 5 DGBDMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306857272 1111244703 /nfs/dbraw/zinc/24/47/03/1111244703.db2.gz GOZSVXKJZUJNMB-VXGBXAGGSA-N -1 1 321.377 3.032 20 5 DGBDMM C[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000133381514 432061926 /nfs/dbraw/zinc/06/19/26/432061926.db2.gz OGINBLVZVOINHG-GFCCVEGCSA-N -1 1 320.370 3.140 20 5 DGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000427616042 237998976 /nfs/dbraw/zinc/99/89/76/237998976.db2.gz SFLAEJHLYPBDKC-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CC(C)(NC(=O)c1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000128653844 284382707 /nfs/dbraw/zinc/38/27/07/284382707.db2.gz MYJAPWMIIATVTB-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000135613758 284484524 /nfs/dbraw/zinc/48/45/24/284484524.db2.gz FFBJFLZLHIPCEM-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCOc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000345271759 254348065 /nfs/dbraw/zinc/34/80/65/254348065.db2.gz XPQSLYDBXODEMY-UHFFFAOYSA-N -1 1 309.709 3.227 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000016096314 400170162 /nfs/dbraw/zinc/17/01/62/400170162.db2.gz KJEFDGDCDKGNLS-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000031555888 400348894 /nfs/dbraw/zinc/34/88/94/400348894.db2.gz DHNMXUQVBRTXKO-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000617754688 400446907 /nfs/dbraw/zinc/44/69/07/400446907.db2.gz HZZPOIFCSFQBRR-SECBINFHSA-N -1 1 304.277 3.182 20 5 DGBDMM O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000347311982 264194252 /nfs/dbraw/zinc/19/42/52/264194252.db2.gz HQMNKMRWENFGGU-UHFFFAOYSA-N -1 1 324.268 3.063 20 5 DGBDMM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000351749463 264804310 /nfs/dbraw/zinc/80/43/10/264804310.db2.gz VDYRPPOLHQNSEM-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000014257037 431586751 /nfs/dbraw/zinc/58/67/51/431586751.db2.gz VLECUNRCWJWUHW-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000014253958 431587673 /nfs/dbraw/zinc/58/76/73/431587673.db2.gz KQLUGOPHPDUUEV-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174879754 432377260 /nfs/dbraw/zinc/37/72/60/432377260.db2.gz CQXAGAHEJSGNKB-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000192731549 432407137 /nfs/dbraw/zinc/40/71/37/432407137.db2.gz HFUCKBVXTXPIFD-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263382458 432537777 /nfs/dbraw/zinc/53/77/77/432537777.db2.gz CBYWXROHVCUYMS-AWEZNQCLSA-N -1 1 306.362 3.157 20 5 DGBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178330783 432721819 /nfs/dbraw/zinc/72/18/19/432721819.db2.gz SGPAJTCTRXHLAZ-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1F ZINC000350495332 433184056 /nfs/dbraw/zinc/18/40/56/433184056.db2.gz BXKKNYWKIOGAHJ-UHFFFAOYSA-N -1 1 318.264 3.178 20 5 DGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000351492258 433530691 /nfs/dbraw/zinc/53/06/91/433530691.db2.gz RBNUBUREZMTBLE-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM O=C(Nc1cccc(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000362130926 433538122 /nfs/dbraw/zinc/53/81/22/433538122.db2.gz TYSNOZJDTITCIG-UHFFFAOYSA-N -1 1 313.235 3.280 20 5 DGBDMM COc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1[O-] ZINC000390070440 293822227 /nfs/dbraw/zinc/82/22/27/293822227.db2.gz UJOBXAWWAFQEKR-UHFFFAOYSA-N -1 1 313.269 3.026 20 5 DGBDMM Cc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000436579856 434022060 /nfs/dbraw/zinc/02/20/60/434022060.db2.gz ZPMMFZZTRYTJFJ-SNVBAGLBSA-N -1 1 318.304 3.239 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340329087 434063727 /nfs/dbraw/zinc/06/37/27/434063727.db2.gz JQEIADDKRNKHHG-UHFFFAOYSA-N -1 1 315.260 3.173 20 5 DGBDMM CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000507587865 294305208 /nfs/dbraw/zinc/30/52/08/294305208.db2.gz XOKLVIYFZYMMTI-UHFFFAOYSA-N -1 1 324.333 3.097 20 5 DGBDMM Cc1c(CNC(=O)c2cc(Cl)ccc2[O-])cccc1[N+](=O)[O-] ZINC000436891690 434156452 /nfs/dbraw/zinc/15/64/52/434156452.db2.gz YHXDSQVMKKORFS-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340479315 434157396 /nfs/dbraw/zinc/15/73/96/434157396.db2.gz QIYQOWPUHYASTK-UHFFFAOYSA-N -1 1 322.324 3.161 20 5 DGBDMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340693551 434305452 /nfs/dbraw/zinc/30/54/52/434305452.db2.gz DBIBPSNEDOJHET-UHFFFAOYSA-N -1 1 312.285 3.194 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C ZINC000475836466 435213393 /nfs/dbraw/zinc/21/33/93/435213393.db2.gz UPQKUUVZMVHTJM-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172181966 312742574 /nfs/dbraw/zinc/74/25/74/312742574.db2.gz QRVGUSDNAVCRGJ-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000566309098 315333829 /nfs/dbraw/zinc/33/38/29/315333829.db2.gz RVNMULNVLMMMDA-GFCCVEGCSA-N -1 1 304.343 3.054 20 5 DGBDMM CC(C)N(Cc1occc1C(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000577404036 316232489 /nfs/dbraw/zinc/23/24/89/316232489.db2.gz AJFQUQHZPDHFMU-UHFFFAOYSA-N -1 1 318.329 3.297 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000737373276 574840554 /nfs/dbraw/zinc/84/05/54/574840554.db2.gz SHQRINMQIQNEDL-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000737373276 574840555 /nfs/dbraw/zinc/84/05/55/574840555.db2.gz SHQRINMQIQNEDL-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM C/C(=C\C(=O)Nc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000752680212 621404245 /nfs/dbraw/zinc/40/42/45/621404245.db2.gz NAVZRUBZMRFXNI-MDZDMXLPSA-N -1 1 316.288 3.482 20 5 DGBDMM Cc1ccc(N(CC2CC2)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000863600656 621687297 /nfs/dbraw/zinc/68/72/97/621687297.db2.gz RQEMZZJXZHFZPE-UHFFFAOYSA-N -1 1 317.320 3.427 20 5 DGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccs2)c1Cl ZINC000788218071 625098696 /nfs/dbraw/zinc/09/86/96/625098696.db2.gz YHBXQICGAYBIIX-UHFFFAOYSA-N -1 1 318.763 3.111 20 5 DGBDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826051968 628823243 /nfs/dbraw/zinc/82/32/43/628823243.db2.gz FUVHLNXEGSGGJM-BLLLJJGKSA-N -1 1 314.341 3.146 20 5 DGBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000843771640 630699418 /nfs/dbraw/zinc/69/94/18/630699418.db2.gz JNZWKNPYUKJPMZ-UHFFFAOYSA-N -1 1 324.337 3.270 20 5 DGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000082193055 660210902 /nfs/dbraw/zinc/21/09/02/660210902.db2.gz ISDOWBASCDRTEX-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000013307012 660528378 /nfs/dbraw/zinc/52/83/78/660528378.db2.gz JDLCFBRHUOWHRN-GHXNOFRVSA-N -1 1 316.294 3.179 20 5 DGBDMM Cc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000176054550 655737523 /nfs/dbraw/zinc/73/75/23/655737523.db2.gz RCSRUYNACHQTPO-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(F)c1[O-] ZINC001587394415 1192397883 /nfs/dbraw/zinc/39/78/83/1192397883.db2.gz WQWAWXHHCMLUNF-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM CC(C)(C)CC(C)(C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589118444 1192458948 /nfs/dbraw/zinc/45/89/48/1192458948.db2.gz GAAVLDXYQFBPQJ-UHFFFAOYSA-N -1 1 324.410 3.463 20 5 DGBDMM CC(C)(C)CC(C)(C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589118444 1192458949 /nfs/dbraw/zinc/45/89/49/1192458949.db2.gz GAAVLDXYQFBPQJ-UHFFFAOYSA-N -1 1 324.410 3.463 20 5 DGBDMM CCC(C)(C)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590376117 1192504585 /nfs/dbraw/zinc/50/45/85/1192504585.db2.gz WKNXGJCEQSGRDS-UHFFFAOYSA-N -1 1 304.354 3.013 20 5 DGBDMM CCC(C)(C)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590376117 1192504588 /nfs/dbraw/zinc/50/45/88/1192504588.db2.gz WKNXGJCEQSGRDS-UHFFFAOYSA-N -1 1 304.354 3.013 20 5 DGBDMM CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590406952 1192505183 /nfs/dbraw/zinc/50/51/83/1192505183.db2.gz VENXAKSFUKNVKF-VHSXEESVSA-N -1 1 304.354 3.012 20 5 DGBDMM CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590406952 1192505185 /nfs/dbraw/zinc/50/51/85/1192505185.db2.gz VENXAKSFUKNVKF-VHSXEESVSA-N -1 1 304.354 3.012 20 5 DGBDMM O=[N+]([O-])c1cc(SCc2ccccc2)ccc1-c1nnn[n-]1 ZINC001593474255 1192632416 /nfs/dbraw/zinc/63/24/16/1192632416.db2.gz MSWXKHLHXHQPKS-UHFFFAOYSA-N -1 1 313.342 3.067 20 5 DGBDMM O=[N+]([O-])c1cc(SCc2ccccc2)ccc1-c1nn[n-]n1 ZINC001593474255 1192632418 /nfs/dbraw/zinc/63/24/18/1192632418.db2.gz MSWXKHLHXHQPKS-UHFFFAOYSA-N -1 1 313.342 3.067 20 5 DGBDMM Cc1ccc([C@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001600374549 1192839708 /nfs/dbraw/zinc/83/97/08/1192839708.db2.gz ZYUPXMRHVQWVAB-LBPRGKRZSA-N -1 1 314.341 3.452 20 5 DGBDMM CC1(C)C(C)(C)C1(C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603755251 1193029692 /nfs/dbraw/zinc/02/96/92/1193029692.db2.gz SLMYOEUEGUFNRV-UHFFFAOYSA-N -1 1 322.394 3.073 20 5 DGBDMM CC1(C)C(C)(C)C1(C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603755251 1193029694 /nfs/dbraw/zinc/02/96/94/1193029694.db2.gz SLMYOEUEGUFNRV-UHFFFAOYSA-N -1 1 322.394 3.073 20 5 DGBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1c(F)ccnc1F ZINC001460021282 1182642253 /nfs/dbraw/zinc/64/22/53/1182642253.db2.gz RYXLFTQXTWXXDS-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001472192260 1183623331 /nfs/dbraw/zinc/62/33/31/1183623331.db2.gz WUVQTMACNBHSMH-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CCC[C@@H](CC)Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609204423 1193329896 /nfs/dbraw/zinc/32/98/96/1193329896.db2.gz CWJLDQCUQULRLP-SECBINFHSA-N -1 1 307.379 3.446 20 5 DGBDMM CCC[C@@H](CC)Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609204423 1193329897 /nfs/dbraw/zinc/32/98/97/1193329897.db2.gz CWJLDQCUQULRLP-SECBINFHSA-N -1 1 307.379 3.446 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001560138259 1189282948 /nfs/dbraw/zinc/28/29/48/1189282948.db2.gz PHHCNBDDBLAXGZ-MAUKXSAKSA-N -1 1 310.353 3.074 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001630312759 1194280072 /nfs/dbraw/zinc/28/00/72/1194280072.db2.gz ZFGBCHHLEZOILW-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1[N+](=O)[O-] ZINC001638381659 1194715474 /nfs/dbraw/zinc/71/54/74/1194715474.db2.gz OTKDFCFMRMBSPB-UHFFFAOYSA-N -1 1 323.308 3.288 20 5 DGBDMM O=C([O-])c1ccccc1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC001595255163 949590210 /nfs/dbraw/zinc/59/02/10/949590210.db2.gz IFNBQGUPMVHUAI-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM O=C([O-])[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001594902363 954645560 /nfs/dbraw/zinc/64/55/60/954645560.db2.gz MFKPKGDXBAZOHI-OLZOCXBDSA-N -1 1 318.354 3.059 20 5 DGBDMM CC(C)(NCc1ccsc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001590872733 990782056 /nfs/dbraw/zinc/78/20/56/990782056.db2.gz OZLVVMBUUJKSKQ-UHFFFAOYSA-N -1 1 320.370 3.379 20 5 DGBDMM O=C([N-]c1c(F)ccnc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001129367758 1081722989 /nfs/dbraw/zinc/72/29/89/1081722989.db2.gz YVULOEQAQHVAJB-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccccc1[O-] ZINC001648877518 1081952514 /nfs/dbraw/zinc/95/25/14/1081952514.db2.gz VMBCWGQLDWMUBH-UHFFFAOYSA-N -1 1 309.281 3.101 20 5 DGBDMM COC(=O)c1sc(C)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393071 1081955893 /nfs/dbraw/zinc/95/58/93/1081955893.db2.gz MUPCRNYLNHGBMB-UHFFFAOYSA-N -1 1 308.315 3.201 20 5 DGBDMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211191213 1082084576 /nfs/dbraw/zinc/08/45/76/1082084576.db2.gz QPOOMNGRPRQHJO-UHFFFAOYSA-N -1 1 316.244 3.290 20 5 DGBDMM Nc1cccc(-c2cccc(Nc3ccc([O-])c([N+](=O)[O-])c3)n2)n1 ZINC001210393647 1093151503 /nfs/dbraw/zinc/15/15/03/1093151503.db2.gz XGIKZOQFDVWXDY-UHFFFAOYSA-N -1 1 323.312 3.083 20 5 DGBDMM CC(C)c1ccc2nc(-c3cc([N+](=O)[O-])ccn3)[n-]c(=O)c2c1 ZINC001338405029 1095294725 /nfs/dbraw/zinc/29/47/25/1095294725.db2.gz ZASQWWCDKYOPGD-UHFFFAOYSA-N -1 1 310.313 3.429 20 5 DGBDMM O=c1c2cc(OC3CC=CC3)c([O-])cc2oc2cccc(O)c12 ZINC001227306595 1096914648 /nfs/dbraw/zinc/91/46/48/1096914648.db2.gz KMMSCGNCVPBPIJ-UHFFFAOYSA-N -1 1 310.305 3.455 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001228860245 1097205120 /nfs/dbraw/zinc/20/51/20/1097205120.db2.gz RPYHBWMMUOPEIB-LKEWCRSYSA-N -1 1 318.251 3.282 20 5 DGBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001229395754 1097311780 /nfs/dbraw/zinc/31/17/80/1097311780.db2.gz LBXFWCSTHNPHNO-SECBINFHSA-N -1 1 304.258 3.349 20 5 DGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001229395284 1097311983 /nfs/dbraw/zinc/31/19/83/1097311983.db2.gz GQRPAFYWPSYCRK-VIFPVBQESA-N -1 1 304.258 3.349 20 5 DGBDMM COc1ccc(OC)c([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229396479 1097312736 /nfs/dbraw/zinc/31/27/36/1097312736.db2.gz UXJXBSJCCNGPND-JTQLQIEISA-N -1 1 319.313 3.458 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H](c2cccnc2)C(F)(F)F)c1 ZINC001229396329 1097312983 /nfs/dbraw/zinc/31/29/83/1097312983.db2.gz RXCRPUYVWCURMY-GFCCVEGCSA-N -1 1 314.219 3.378 20 5 DGBDMM COc1ccc2c(c1)CC[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC001229400479 1097313486 /nfs/dbraw/zinc/31/34/86/1097313486.db2.gz WCLWOVSWJPUMCA-HNNXBMFYSA-N -1 1 315.325 3.245 20 5 DGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCCOC3)ccc21 ZINC001229514548 1097337293 /nfs/dbraw/zinc/33/72/93/1097337293.db2.gz KDXIKNVVINJRGT-CYBMUJFWSA-N -1 1 312.321 3.210 20 5 DGBDMM C[C@H]1COC[C@@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515713 1097337472 /nfs/dbraw/zinc/33/74/72/1097337472.db2.gz DKGZVCRLSBIDRM-BTDLBPIBSA-N -1 1 312.321 3.066 20 5 DGBDMM O=c1oc2cc([O-])ccc2c2cc(OC3CC=CC3)c(O)cc12 ZINC001229803691 1097389980 /nfs/dbraw/zinc/38/99/80/1097389980.db2.gz QTZFTUIOIFMMNU-UHFFFAOYSA-N -1 1 310.305 3.455 20 5 DGBDMM O=[N+]([O-])c1cc2nc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)[n-]c2cc1Cl ZINC001233500981 1098353813 /nfs/dbraw/zinc/35/38/13/1098353813.db2.gz WIPXCMITASCENP-HHURGBBESA-N -1 1 305.721 3.468 20 5 DGBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cnccn1 ZINC001233507560 1098356161 /nfs/dbraw/zinc/35/61/61/1098356161.db2.gz YUYONFOLAXAAFO-ZETCQYMHSA-N -1 1 319.708 3.055 20 5 DGBDMM C[C@@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CCO1 ZINC001233505841 1098356261 /nfs/dbraw/zinc/35/62/61/1098356261.db2.gz IEKPUQCPPRSDDL-HTQZYQBOSA-N -1 1 311.725 3.071 20 5 DGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212893349 1103341915 /nfs/dbraw/zinc/34/19/15/1103341915.db2.gz ZEUXBYVVQTWSTI-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM COc1cc([N+](=O)[O-])cc(-c2nc3cc(C)cc(C)c3[nH]2)c1[O-] ZINC001250818391 1105588995 /nfs/dbraw/zinc/58/89/95/1105588995.db2.gz ADOFTSGQJGZCNV-UHFFFAOYSA-N -1 1 313.313 3.469 20 5 DGBDMM Cn1c2ccc(Cl)cc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251083180 1105627047 /nfs/dbraw/zinc/62/70/47/1105627047.db2.gz QMIYEHMGQJENEY-UHFFFAOYSA-N -1 1 319.704 3.213 20 5 DGBDMM Cn1c2ccc(Cl)cc2nc1-c1cc([N+](=O)[O-])c([O-])cc1O ZINC001251083180 1105627050 /nfs/dbraw/zinc/62/70/50/1105627050.db2.gz QMIYEHMGQJENEY-UHFFFAOYSA-N -1 1 319.704 3.213 20 5 DGBDMM O=C(Nc1cc(-n2cccc2)ccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC001251567934 1105670466 /nfs/dbraw/zinc/67/04/66/1105670466.db2.gz DIYXXOSKBCIMMO-UHFFFAOYSA-N -1 1 314.276 3.105 20 5 DGBDMM CSc1c(F)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001278909116 1106367555 /nfs/dbraw/zinc/36/75/55/1106367555.db2.gz JBHQHTBHSYCSDT-UHFFFAOYSA-N -1 1 307.306 3.103 20 5 DGBDMM Cc1[nH]nc(C(=O)[N-]c2ccccc2SC(C)C)c1[N+](=O)[O-] ZINC000268502058 432096173 /nfs/dbraw/zinc/09/61/73/432096173.db2.gz SLXOBAIQNPLTAA-UHFFFAOYSA-N -1 1 320.374 3.379 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000031555846 182615993 /nfs/dbraw/zinc/61/59/93/182615993.db2.gz IKCBRPMGKAVLBC-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337510986 253130292 /nfs/dbraw/zinc/13/02/92/253130292.db2.gz LRJLQFZSYQXBJI-UHFFFAOYSA-N -1 1 316.704 3.377 20 5 DGBDMM Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2c1 ZINC000343794280 254189962 /nfs/dbraw/zinc/18/99/62/254189962.db2.gz BXQONHQXFHNGSJ-UHFFFAOYSA-N -1 1 302.315 3.093 20 5 DGBDMM O=C(Nc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000588079659 400186416 /nfs/dbraw/zinc/18/64/16/400186416.db2.gz SIKRTNIUSCKCCR-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000030529761 400327944 /nfs/dbraw/zinc/32/79/44/400327944.db2.gz CYRXZQFVTGHRFE-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000120786985 400449616 /nfs/dbraw/zinc/44/96/16/400449616.db2.gz UPNDFLXDGRPOHZ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000088721273 401206835 /nfs/dbraw/zinc/20/68/35/401206835.db2.gz XIJFZIYCYFZDFF-UHFFFAOYSA-N -1 1 319.390 3.147 20 5 DGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Br ZINC000070141554 431240824 /nfs/dbraw/zinc/24/08/24/431240824.db2.gz IAZGTOCAMYVYKP-UHFFFAOYSA-N -1 1 324.134 3.246 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436752684 434098070 /nfs/dbraw/zinc/09/80/70/434098070.db2.gz AHRWVVYKAFEUQJ-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340422298 434122164 /nfs/dbraw/zinc/12/21/64/434122164.db2.gz TXGGCPJJXGPNML-UHFFFAOYSA-N -1 1 314.345 3.084 20 5 DGBDMM CC(C)n1cc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2n1 ZINC000346261497 434243571 /nfs/dbraw/zinc/24/35/71/434243571.db2.gz ADCRHMGHGOXLEF-UHFFFAOYSA-N -1 1 313.317 3.106 20 5 DGBDMM O=[N+]([O-])c1ccccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445464259 434803678 /nfs/dbraw/zinc/80/36/78/434803678.db2.gz SRSZYLMVOKHWNX-UHFFFAOYSA-N -1 1 301.233 3.157 20 5 DGBDMM CCc1nc(SCc2ccc(F)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000521900669 434900907 /nfs/dbraw/zinc/90/09/07/434900907.db2.gz UEDGTGCSTTWKAK-UHFFFAOYSA-N -1 1 323.349 3.393 20 5 DGBDMM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000487912401 534525294 /nfs/dbraw/zinc/52/52/94/534525294.db2.gz MWXHBEKTZGMLLH-UHFFFAOYSA-N -1 1 315.329 3.404 20 5 DGBDMM CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920314089 620795925 /nfs/dbraw/zinc/79/59/25/620795925.db2.gz DBTDGYFTCAUEQK-UHFFFAOYSA-N -1 1 320.798 3.107 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872262196 622871047 /nfs/dbraw/zinc/87/10/47/622871047.db2.gz SPHYSVWTPJRQJM-INIZCTEOSA-N -1 1 320.389 3.224 20 5 DGBDMM Cc1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)sc1C ZINC000782152067 624211909 /nfs/dbraw/zinc/21/19/09/624211909.db2.gz MSIDJKKDCJCLJU-UHFFFAOYSA-N -1 1 313.285 3.199 20 5 DGBDMM O=C(OCCCCC1CCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000798635978 626233908 /nfs/dbraw/zinc/23/39/08/626233908.db2.gz DDRXVYSHOHIIRZ-UHFFFAOYSA-N -1 1 323.345 3.054 20 5 DGBDMM CC(=O)c1ccc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)o1 ZINC000800152442 626814417 /nfs/dbraw/zinc/81/44/17/626814417.db2.gz UBTZBPVZNCJYMP-UHFFFAOYSA-N -1 1 306.249 3.090 20 5 DGBDMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000818051916 627990942 /nfs/dbraw/zinc/99/09/42/627990942.db2.gz BYLGGASGGZNXSQ-NSHDSACASA-N -1 1 300.314 3.144 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001590237865 1192496306 /nfs/dbraw/zinc/49/63/06/1192496306.db2.gz CTVDTRPQPLGJJN-SCVCMEIPSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001590237865 1192496309 /nfs/dbraw/zinc/49/63/09/1192496309.db2.gz CTVDTRPQPLGJJN-SCVCMEIPSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H]1C ZINC001590249109 1192498069 /nfs/dbraw/zinc/49/80/69/1192498069.db2.gz BGMHIZOAHLVNBJ-IWSPIJDZSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H]1C ZINC001590249109 1192498072 /nfs/dbraw/zinc/49/80/72/1192498072.db2.gz BGMHIZOAHLVNBJ-IWSPIJDZSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c2ccccc21 ZINC001590311368 1192500724 /nfs/dbraw/zinc/50/07/24/1192500724.db2.gz DQBVPOPAXZGPLE-SNVBAGLBSA-N -1 1 322.328 3.030 20 5 DGBDMM Cc1cc(C)cc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001591954390 1192580921 /nfs/dbraw/zinc/58/09/21/1192580921.db2.gz PRTRJPYXMFUAKI-UHFFFAOYSA-N -1 1 316.346 3.197 20 5 DGBDMM Cc1cc(C)cc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001591954390 1192580927 /nfs/dbraw/zinc/58/09/27/1192580927.db2.gz PRTRJPYXMFUAKI-UHFFFAOYSA-N -1 1 316.346 3.197 20 5 DGBDMM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001592136238 1192594856 /nfs/dbraw/zinc/59/48/56/1192594856.db2.gz XVFCJYGINFBQFU-NSHDSACASA-N -1 1 324.344 3.256 20 5 DGBDMM Cc1ccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1C ZINC001592190560 1192600077 /nfs/dbraw/zinc/60/00/77/1192600077.db2.gz KGTLBHQSNUCJPV-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM Cc1ccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1C ZINC001592190560 1192600080 /nfs/dbraw/zinc/60/00/80/1192600080.db2.gz KGTLBHQSNUCJPV-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM Cc1ccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC001592189091 1192600214 /nfs/dbraw/zinc/60/02/14/1192600214.db2.gz VBUMZRBRMMLXAY-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM Cc1ccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC001592189091 1192600215 /nfs/dbraw/zinc/60/02/15/1192600215.db2.gz VBUMZRBRMMLXAY-UHFFFAOYSA-N -1 1 311.301 3.184 20 5 DGBDMM O=[N+]([O-])c1cc(Sc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001593473580 1192631531 /nfs/dbraw/zinc/63/15/31/1192631531.db2.gz AAUYSYHDNYCQLS-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=[N+]([O-])c1cc(Sc2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001593473580 1192631533 /nfs/dbraw/zinc/63/15/33/1192631533.db2.gz AAUYSYHDNYCQLS-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=[N+]([O-])c1cc(SCC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001593473658 1192631682 /nfs/dbraw/zinc/63/16/82/1192631682.db2.gz DHPCAAXKHZYDMA-UHFFFAOYSA-N -1 1 319.390 3.447 20 5 DGBDMM O=[N+]([O-])c1cc(SCC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001593473658 1192631684 /nfs/dbraw/zinc/63/16/84/1192631684.db2.gz DHPCAAXKHZYDMA-UHFFFAOYSA-N -1 1 319.390 3.447 20 5 DGBDMM O=[N+]([O-])c1ccccc1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001593487519 1192631787 /nfs/dbraw/zinc/63/17/87/1192631787.db2.gz ZHYBYZXIHGLKTA-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC001350534883 1180083007 /nfs/dbraw/zinc/08/30/07/1180083007.db2.gz NSEUDJXFZAOCDG-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001603684177 1193025677 /nfs/dbraw/zinc/02/56/77/1193025677.db2.gz UTLKZMPTUPBDEH-JTQLQIEISA-N -1 1 316.365 3.156 20 5 DGBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001603684177 1193025682 /nfs/dbraw/zinc/02/56/82/1193025682.db2.gz UTLKZMPTUPBDEH-JTQLQIEISA-N -1 1 316.365 3.156 20 5 DGBDMM CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC(C)(C)C1 ZINC001611105935 1193423320 /nfs/dbraw/zinc/42/33/20/1193423320.db2.gz DRTPXZQIKIASRD-UHFFFAOYSA-N -1 1 321.377 3.030 20 5 DGBDMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC001540436297 1188239181 /nfs/dbraw/zinc/23/91/81/1188239181.db2.gz SPTAEBAHOUJZBC-UHFFFAOYSA-N -1 1 306.705 3.135 20 5 DGBDMM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1[O-] ZINC001557956175 1189094355 /nfs/dbraw/zinc/09/43/55/1189094355.db2.gz IYPJTQGQFWOVAD-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC001623168498 1193921021 /nfs/dbraw/zinc/92/10/21/1193921021.db2.gz JSORNWUDWWVZRH-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM O=C([N-]c1nocc1C1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001625340823 1194045643 /nfs/dbraw/zinc/04/56/43/1194045643.db2.gz GYEOCDYIPCYUDM-UHFFFAOYSA-N -1 1 307.693 3.366 20 5 DGBDMM CC(C)(NC(=O)c1cccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC001630787097 1194304364 /nfs/dbraw/zinc/30/43/64/1194304364.db2.gz OHQQSTVUMBZKMK-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM Cc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1[N+](=O)[O-] ZINC001642152862 1194890669 /nfs/dbraw/zinc/89/06/69/1194890669.db2.gz LKETYEMUQALPEX-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM C[C@H](COCC1CCCCC1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001648384128 1195296450 /nfs/dbraw/zinc/29/64/50/1195296450.db2.gz FHLXJZDQRYRSPF-CYBMUJFWSA-N -1 1 322.405 3.375 20 5 DGBDMM O=C([O-])c1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC001602348656 971188085 /nfs/dbraw/zinc/18/80/85/971188085.db2.gz QEOUKVUBMJFTOH-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM C[C@H](NCc1cc(C(=O)[O-])cs1)c1ccccc1[N+](=O)[O-] ZINC001599901614 984841377 /nfs/dbraw/zinc/84/13/77/984841377.db2.gz QKPXCRJKUKYAIA-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001599841655 988847808 /nfs/dbraw/zinc/84/78/08/988847808.db2.gz AWXSWABCJZJDMF-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001165751939 1090544672 /nfs/dbraw/zinc/54/46/72/1090544672.db2.gz SLEAUPBHBIJKGZ-NWDGAFQWSA-N -1 1 316.288 3.182 20 5 DGBDMM O=[N+]([O-])c1cccc(Nc2nc(Br)ccc2[O-])c1 ZINC001204407402 1091793267 /nfs/dbraw/zinc/79/32/67/1091793267.db2.gz ODVIJHWELSOOIT-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=c1cc[n-]c(O[C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001225661149 1096497706 /nfs/dbraw/zinc/49/77/06/1096497706.db2.gz KEHLTDGOKIOZKT-NSHDSACASA-N -1 1 314.219 3.378 20 5 DGBDMM O=[N+]([O-])c1c([O-])ccnc1O[C@@H](c1ccccc1)C(F)(F)F ZINC001225661149 1096497710 /nfs/dbraw/zinc/49/77/10/1096497710.db2.gz KEHLTDGOKIOZKT-NSHDSACASA-N -1 1 314.219 3.378 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCCCC1 ZINC001228863174 1097206338 /nfs/dbraw/zinc/20/63/38/1097206338.db2.gz UYCWLBKJGPHWSQ-UHFFFAOYSA-N -1 1 306.240 3.426 20 5 DGBDMM Cc1nc(O[C@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378055 1097309553 /nfs/dbraw/zinc/30/95/53/1097309553.db2.gz FLXHQFWJMKTRCB-NSHDSACASA-N -1 1 321.720 3.119 20 5 DGBDMM CC1(C)CC(Oc2cc([N+](=O)[O-])ccc2[O-])CC(C)(C)N1O ZINC001229397673 1097312787 /nfs/dbraw/zinc/31/27/87/1097312787.db2.gz KDUAORYPWAUHFT-UHFFFAOYSA-N -1 1 310.350 3.090 20 5 DGBDMM CCOC(=O)[C@H]1CCC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229752581 1097377419 /nfs/dbraw/zinc/37/74/19/1097377419.db2.gz BWGUBLPZEJLJKT-RYUDHWBXSA-N -1 1 323.345 3.110 20 5 DGBDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229752580 1097377739 /nfs/dbraw/zinc/37/77/39/1097377739.db2.gz BWGUBLPZEJLJKT-NWDGAFQWSA-N -1 1 323.345 3.110 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2c(F)cccc2F)n1 ZINC001231259367 1097705817 /nfs/dbraw/zinc/70/58/17/1097705817.db2.gz KKVBLXAYOSJSJT-MRVPVSSYSA-N -1 1 310.256 3.422 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccc(F)c2F)n1 ZINC001231262923 1097706624 /nfs/dbraw/zinc/70/66/24/1097706624.db2.gz HZVQTZKWZKOKDX-MRVPVSSYSA-N -1 1 310.256 3.422 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccc(N(C)C)c2)n1 ZINC001231263836 1097707197 /nfs/dbraw/zinc/70/71/97/1097707197.db2.gz MUKDVXJZWLSZFO-LLVKDONJSA-N -1 1 317.345 3.210 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nc3c(cccc3Cl)[nH]2)c([O-])cc1O ZINC001251083043 1105626957 /nfs/dbraw/zinc/62/69/57/1105626957.db2.gz NBJFFXGERSCWPM-UHFFFAOYSA-N -1 1 305.677 3.203 20 5 DGBDMM O=[N+]([O-])c1cccnc1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001251525823 1105666703 /nfs/dbraw/zinc/66/67/03/1105666703.db2.gz CVODETASPNPEHY-UHFFFAOYSA-N -1 1 312.182 3.090 20 5 DGBDMM CCc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000189082917 529600424 /nfs/dbraw/zinc/60/04/24/529600424.db2.gz FVKGRYSYMOAFTI-UHFFFAOYSA-N -1 1 312.325 3.066 20 5 DGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000427700040 238001667 /nfs/dbraw/zinc/00/16/67/238001667.db2.gz ZQDKEXCOTHFXOV-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(C(C)C)on1 ZINC000282498832 217040506 /nfs/dbraw/zinc/04/05/06/217040506.db2.gz YWDZBBYLFXXSPW-UHFFFAOYSA-N -1 1 307.281 3.406 20 5 DGBDMM CCc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000135683592 284486674 /nfs/dbraw/zinc/48/66/74/284486674.db2.gz WWIYUEDUOPKFGI-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM CC(C)n1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000337519561 253132300 /nfs/dbraw/zinc/13/23/00/253132300.db2.gz BONYMXONTGBNFJ-UHFFFAOYSA-N -1 1 313.317 3.106 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(CSCc3ccccc3)no2)[n-]1 ZINC000357228816 285683900 /nfs/dbraw/zinc/68/39/00/285683900.db2.gz YNEUMCNVPZYQGD-UHFFFAOYSA-N -1 1 316.342 3.406 20 5 DGBDMM CCCCC[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598459383 400816178 /nfs/dbraw/zinc/81/61/78/400816178.db2.gz DGWOGUSYZQGXCJ-ZDUSSCGKSA-N -1 1 321.377 3.270 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186899160 165066104 /nfs/dbraw/zinc/06/61/04/165066104.db2.gz SMEILEFWLXDIDN-UHFFFAOYSA-N -1 1 321.358 3.428 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)[n-]1 ZINC000355414044 266067637 /nfs/dbraw/zinc/06/76/37/266067637.db2.gz REMUTIXNSLWXBT-UHFFFAOYSA-N -1 1 322.683 3.356 20 5 DGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000014256009 431588758 /nfs/dbraw/zinc/58/87/58/431588758.db2.gz RJCHRZCVCJAVNZ-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191783425 432301310 /nfs/dbraw/zinc/30/13/10/432301310.db2.gz YAGCBWXLSLWLQS-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263536618 432554590 /nfs/dbraw/zinc/55/45/90/432554590.db2.gz ZPAWLHUNVSXMEC-UHFFFAOYSA-N -1 1 318.329 3.150 20 5 DGBDMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436797694 434112107 /nfs/dbraw/zinc/11/21/07/434112107.db2.gz OYRZODYZLNXMSF-VIFPVBQESA-N -1 1 320.732 3.445 20 5 DGBDMM O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000340574321 434216822 /nfs/dbraw/zinc/21/68/22/434216822.db2.gz TXKCPHRIZAMPFY-UHFFFAOYSA-N -1 1 307.309 3.427 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000319585922 434224738 /nfs/dbraw/zinc/22/47/38/434224738.db2.gz UBURQCYMMYUVIX-UHFFFAOYSA-N -1 1 324.333 3.097 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1[O-] ZINC000446144208 434852147 /nfs/dbraw/zinc/85/21/47/434852147.db2.gz BTYBLWMEUUZANS-UHFFFAOYSA-N -1 1 324.218 3.258 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000481960668 435446875 /nfs/dbraw/zinc/44/68/75/435446875.db2.gz XZNAMLXODUGIPX-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=C(Nc1cccc(COCC2CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299228427 534343386 /nfs/dbraw/zinc/34/33/86/534343386.db2.gz FUGACMYBSGYIMQ-UHFFFAOYSA-N -1 1 315.329 3.102 20 5 DGBDMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445174144 527858897 /nfs/dbraw/zinc/85/88/97/527858897.db2.gz QQKNELALQOUKHH-YPMHNXCESA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1c(Oc2cccc(F)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000737220447 574827700 /nfs/dbraw/zinc/82/77/00/574827700.db2.gz YKRUXFBPENUYGF-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM Cc1c(Oc2cccc(F)c2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737220447 574827702 /nfs/dbraw/zinc/82/77/02/574827702.db2.gz YKRUXFBPENUYGF-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM C[C@H]1CNc2c([N-]c3nc4ccccc4cc3[N+](=O)[O-])cnn2C1 ZINC000894951804 618503510 /nfs/dbraw/zinc/50/35/10/618503510.db2.gz VQJRNWLDTONHHB-JTQLQIEISA-N -1 1 324.344 3.145 20 5 DGBDMM CC(C)Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)n1 ZINC000855707866 620926140 /nfs/dbraw/zinc/92/61/40/620926140.db2.gz UOZOQHCUFMVJAU-UHFFFAOYSA-N -1 1 324.337 3.036 20 5 DGBDMM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c([O-])cccc1F ZINC000755614217 621580932 /nfs/dbraw/zinc/58/09/32/621580932.db2.gz DLNMDNCMPAFXPN-MDZDMXLPSA-N -1 1 316.288 3.482 20 5 DGBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)ccc1[O-] ZINC000757426667 621709634 /nfs/dbraw/zinc/70/96/34/621709634.db2.gz WZPXCFSAQZQWAJ-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([O-])c(F)c1 ZINC000768254430 622447464 /nfs/dbraw/zinc/44/74/64/622447464.db2.gz XHNBRBYPOSMOPP-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000871215167 622572076 /nfs/dbraw/zinc/57/20/76/622572076.db2.gz QPJNZVGKNSANBA-VIFPVBQESA-N -1 1 320.267 3.089 20 5 DGBDMM CCCCCC(C)(C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770611751 622652772 /nfs/dbraw/zinc/65/27/72/622652772.db2.gz NTEAPSXUTOHVQI-UHFFFAOYSA-N -1 1 309.366 3.032 20 5 DGBDMM Cc1sc(C(=O)[N-]c2nc(C(C)C)ns2)cc1[N+](=O)[O-] ZINC000874697252 623330100 /nfs/dbraw/zinc/33/01/00/623330100.db2.gz INWSMTXRXBHUMF-UHFFFAOYSA-N -1 1 312.376 3.192 20 5 DGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000780072179 623857162 /nfs/dbraw/zinc/85/71/62/623857162.db2.gz NRYIBCNOFUJVJN-SECBINFHSA-N -1 1 305.261 3.358 20 5 DGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000890429120 627536879 /nfs/dbraw/zinc/53/68/79/627536879.db2.gz NIWHCSLWAWNKRW-UHFFFAOYSA-N -1 1 305.265 3.160 20 5 DGBDMM Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826305972 628842382 /nfs/dbraw/zinc/84/23/82/628842382.db2.gz NEIFTEWFNQKNDT-LLVKDONJSA-N -1 1 324.344 3.256 20 5 DGBDMM Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826305972 628842386 /nfs/dbraw/zinc/84/23/86/628842386.db2.gz NEIFTEWFNQKNDT-LLVKDONJSA-N -1 1 324.344 3.256 20 5 DGBDMM CC[C@H](NCc1cc(C(=O)[O-])oc1C)c1cccc([N+](=O)[O-])c1 ZINC000833644291 629634803 /nfs/dbraw/zinc/63/48/03/629634803.db2.gz NTNWEJUJNGVWIJ-AWEZNQCLSA-N -1 1 318.329 3.435 20 5 DGBDMM Cc1nc(Cl)sc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000177611683 655935198 /nfs/dbraw/zinc/93/51/98/655935198.db2.gz FSDMVZZJZRIAGB-UHFFFAOYSA-N -1 1 315.713 3.405 20 5 DGBDMM C[C@@H](CN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000263514439 658263694 /nfs/dbraw/zinc/26/36/94/658263694.db2.gz OHIWZLNVTALVAE-ZETCQYMHSA-N -1 1 321.160 3.054 20 5 DGBDMM CC(C)(CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CC1 ZINC001589275846 1192462217 /nfs/dbraw/zinc/46/22/17/1192462217.db2.gz LSNKZPHLNFAYAW-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM CC(C)(CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC001589275846 1192462215 /nfs/dbraw/zinc/46/22/15/1192462215.db2.gz LSNKZPHLNFAYAW-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC001590316771 1192501623 /nfs/dbraw/zinc/50/16/23/1192501623.db2.gz VBWUDEQCRQNKNH-JTQLQIEISA-N -1 1 322.328 3.030 20 5 DGBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC001590316771 1192501625 /nfs/dbraw/zinc/50/16/25/1192501625.db2.gz VBWUDEQCRQNKNH-JTQLQIEISA-N -1 1 322.328 3.030 20 5 DGBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001590472014 1192512400 /nfs/dbraw/zinc/51/24/00/1192512400.db2.gz QBXSTMXHNCJEAH-JGVFFNPUSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001590472014 1192512403 /nfs/dbraw/zinc/51/24/03/1192512403.db2.gz QBXSTMXHNCJEAH-JGVFFNPUSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590513533 1192517921 /nfs/dbraw/zinc/51/79/21/1192517921.db2.gz WAYMJFXGYKGERV-RKDXNWHRSA-N -1 1 322.394 3.217 20 5 DGBDMM CC[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590513533 1192517924 /nfs/dbraw/zinc/51/79/24/1192517924.db2.gz WAYMJFXGYKGERV-RKDXNWHRSA-N -1 1 322.394 3.217 20 5 DGBDMM Cc1ccc(F)cc1Oc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592173593 1192598143 /nfs/dbraw/zinc/59/81/43/1192598143.db2.gz VKECBMOOGNTFIA-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM Cc1ccc(F)cc1Oc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592173593 1192598146 /nfs/dbraw/zinc/59/81/46/1192598146.db2.gz VKECBMOOGNTFIA-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM O=[N+]([O-])c1cc(Sc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC001593474614 1192631832 /nfs/dbraw/zinc/63/18/32/1192631832.db2.gz QGXGAHOHFNVBNS-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=[N+]([O-])c1cc(Sc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC001593474614 1192631834 /nfs/dbraw/zinc/63/18/34/1192631834.db2.gz QGXGAHOHFNVBNS-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1SCC1CCCC1 ZINC001593488227 1192632409 /nfs/dbraw/zinc/63/24/09/1192632409.db2.gz HAUWHYCWQGJMKP-UHFFFAOYSA-N -1 1 311.392 3.119 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1SCC1CCCC1 ZINC001593488227 1192632411 /nfs/dbraw/zinc/63/24/11/1192632411.db2.gz HAUWHYCWQGJMKP-UHFFFAOYSA-N -1 1 311.392 3.119 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2ncccc2o1 ZINC001352371416 1180329678 /nfs/dbraw/zinc/32/96/78/1180329678.db2.gz PFJMKMKIVXYNGZ-UHFFFAOYSA-N -1 1 319.223 3.267 20 5 DGBDMM CC[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604001408 1193042936 /nfs/dbraw/zinc/04/29/36/1193042936.db2.gz UDTGKHAKUSAEQA-UWVGGRQHSA-N -1 1 304.354 3.012 20 5 DGBDMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC001605855809 1193179983 /nfs/dbraw/zinc/17/99/83/1193179983.db2.gz BAKZZPNCDMQTMN-UHFFFAOYSA-N -1 1 324.344 3.004 20 5 DGBDMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC001605855809 1193179985 /nfs/dbraw/zinc/17/99/85/1193179985.db2.gz BAKZZPNCDMQTMN-UHFFFAOYSA-N -1 1 324.344 3.004 20 5 DGBDMM O=[N+]([O-])c1c(Oc2ccc3c(c2)CCC3)cccc1-c1nnn[n-]1 ZINC001607078340 1193211548 /nfs/dbraw/zinc/21/15/48/1193211548.db2.gz VMLJRPBJUUYBET-UHFFFAOYSA-N -1 1 323.312 3.056 20 5 DGBDMM O=[N+]([O-])c1c(Oc2ccc3c(c2)CCC3)cccc1-c1nn[n-]n1 ZINC001607078340 1193211551 /nfs/dbraw/zinc/21/15/51/1193211551.db2.gz VMLJRPBJUUYBET-UHFFFAOYSA-N -1 1 323.312 3.056 20 5 DGBDMM O=C([N-]c1c(F)ccnc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001524064851 1187211873 /nfs/dbraw/zinc/21/18/73/1187211873.db2.gz CRNUCLUCPWKGTI-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([O-])ccc1Cl ZINC001570670538 1190914509 /nfs/dbraw/zinc/91/45/09/1190914509.db2.gz OATOHMGCCNXVBM-UHFFFAOYSA-N -1 1 321.720 3.248 20 5 DGBDMM Cc1c(C(=O)Nc2ccc([O-])c(F)c2F)cccc1[N+](=O)[O-] ZINC001623997803 1193976134 /nfs/dbraw/zinc/97/61/34/1193976134.db2.gz VMZSBXHJSFZAGA-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM CC(C)CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC001629177327 1194217982 /nfs/dbraw/zinc/21/79/82/1194217982.db2.gz PECLLVZCRASAFG-CYBMUJFWSA-N -1 1 323.393 3.276 20 5 DGBDMM C[C@@H](COCC1CCCCC1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001648384129 1195296791 /nfs/dbraw/zinc/29/67/91/1195296791.db2.gz FHLXJZDQRYRSPF-ZDUSSCGKSA-N -1 1 322.405 3.375 20 5 DGBDMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001654505636 1195811689 /nfs/dbraw/zinc/81/16/89/1195811689.db2.gz NKJJSCWUEZUITL-NEPJUHHUSA-N -1 1 321.377 3.030 20 5 DGBDMM COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC001658703310 1196290523 /nfs/dbraw/zinc/29/05/23/1196290523.db2.gz SOUYQZMREYOAIC-SNVBAGLBSA-N -1 1 320.320 3.299 20 5 DGBDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC001593194509 994136866 /nfs/dbraw/zinc/13/68/66/994136866.db2.gz ILCRJJGVBIARQJ-NOZJJQNGSA-N -1 1 306.343 3.133 20 5 DGBDMM O=[N+]([O-])c1c(Cl)nc(Cl)nc1[N-]C1(C(F)(F)F)CC1 ZINC001160820998 1088981908 /nfs/dbraw/zinc/98/19/08/1088981908.db2.gz BNPCCFQTFHVHNO-UHFFFAOYSA-N -1 1 317.054 3.198 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001160916910 1089018072 /nfs/dbraw/zinc/01/80/72/1089018072.db2.gz PKESXPDEGCMONZ-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM CCc1cc(C(=O)OC)c(Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC001210392742 1093151824 /nfs/dbraw/zinc/15/18/24/1093151824.db2.gz IZVIJDFSRKOHRY-UHFFFAOYSA-N -1 1 322.342 3.455 20 5 DGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(CC(F)(F)F)n1 ZINC001210394480 1093151901 /nfs/dbraw/zinc/15/19/01/1093151901.db2.gz WUYPILSGDSKORE-UHFFFAOYSA-N -1 1 316.239 3.111 20 5 DGBDMM Cc1cc2c(ncnc2Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC001210392635 1093151982 /nfs/dbraw/zinc/15/19/82/1093151982.db2.gz JKOUMDUWTKIBDR-UHFFFAOYSA-N -1 1 302.315 3.357 20 5 DGBDMM O=c1[nH]cc(-c2ccccn2)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396684 1093153879 /nfs/dbraw/zinc/15/38/79/1093153879.db2.gz WMCKCWKWKQJHJS-UHFFFAOYSA-N -1 1 324.296 3.207 20 5 DGBDMM Cc1cc(F)cc(C(=O)[N-]c2noc3c2CCCC3)c1[N+](=O)[O-] ZINC001339193576 1095535154 /nfs/dbraw/zinc/53/51/54/1095535154.db2.gz FNGGZPXMWLVXLE-UHFFFAOYSA-N -1 1 319.292 3.161 20 5 DGBDMM O=c1[n-]cnc(O[C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001228140355 1097060246 /nfs/dbraw/zinc/06/02/46/1097060246.db2.gz IRUDQWMQSOYSLP-OLZOCXBDSA-N -1 1 315.329 3.196 20 5 DGBDMM Cc1ccc(Cl)cc1[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140432 1097060844 /nfs/dbraw/zinc/06/08/44/1097060844.db2.gz JRMHOUZKUBPGFM-QMMMGPOBSA-N -1 1 309.709 3.192 20 5 DGBDMM CCCC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228144479 1097061879 /nfs/dbraw/zinc/06/18/79/1097061879.db2.gz VDBGNGPOCRPAKN-LBPRGKRZSA-N -1 1 303.318 3.401 20 5 DGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C1CCC1 ZINC001228861877 1097206216 /nfs/dbraw/zinc/20/62/16/1097206216.db2.gz IIWWBSQUBARXJG-ZCFIWIBFSA-N -1 1 306.240 3.282 20 5 DGBDMM C[C@@H](COCc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395153 1097311957 /nfs/dbraw/zinc/31/19/57/1097311957.db2.gz FTBWXIBOVLLMGG-LBPRGKRZSA-N -1 1 303.314 3.285 20 5 DGBDMM COc1ccc2c(c1)CC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC001229400480 1097313384 /nfs/dbraw/zinc/31/33/84/1097313384.db2.gz WCLWOVSWJPUMCA-OAHLLOKOSA-N -1 1 315.325 3.245 20 5 DGBDMM COc1cccc([C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c1 ZINC001231259177 1097705609 /nfs/dbraw/zinc/70/56/09/1097705609.db2.gz GNLJMNLEHIJNQO-SNVBAGLBSA-N -1 1 304.302 3.152 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCc3cc(F)ccc32)n1 ZINC001231262355 1097706642 /nfs/dbraw/zinc/70/66/42/1097706642.db2.gz FTEUICBPLOANCB-CYBMUJFWSA-N -1 1 304.277 3.209 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ccc(F)c(F)c2)n1 ZINC001231263818 1097706800 /nfs/dbraw/zinc/70/68/00/1097706800.db2.gz MGJVWRFYTHEYHQ-MRVPVSSYSA-N -1 1 310.256 3.422 20 5 DGBDMM Cc1ccc(OC[C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231262298 1097707181 /nfs/dbraw/zinc/70/71/81/1097707181.db2.gz FDENBGYDQJCGOW-LBPRGKRZSA-N -1 1 318.329 3.159 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)o1 ZINC001250669705 1105557744 /nfs/dbraw/zinc/55/77/44/1105557744.db2.gz SJCQHWZXVGZKRA-UHFFFAOYSA-N -1 1 301.155 3.288 20 5 DGBDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005126834 181207380 /nfs/dbraw/zinc/20/73/80/181207380.db2.gz KFICKINNMVGRJL-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2CC)c1 ZINC000282817622 217271846 /nfs/dbraw/zinc/27/18/46/217271846.db2.gz JZKHBIKKNAJXBI-UHFFFAOYSA-N -1 1 319.317 3.105 20 5 DGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C ZINC000015243155 400161803 /nfs/dbraw/zinc/16/18/03/400161803.db2.gz QCSVZHXTHBOUIF-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC(F)F ZINC000358948731 286195576 /nfs/dbraw/zinc/19/55/76/286195576.db2.gz JWXGZMAFTHXCMT-UHFFFAOYSA-N -1 1 311.244 3.085 20 5 DGBDMM COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c([O-])c1 ZINC000320432260 263900488 /nfs/dbraw/zinc/90/04/88/263900488.db2.gz LBJRVBOPBBLBKL-UHFFFAOYSA-N -1 1 313.269 3.026 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3OC(F)F)no2)[n-]1 ZINC000355867667 266211896 /nfs/dbraw/zinc/21/18/96/266211896.db2.gz URTHGHQSSFSWEE-UHFFFAOYSA-N -1 1 322.227 3.241 20 5 DGBDMM CCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000054454266 431971306 /nfs/dbraw/zinc/97/13/06/431971306.db2.gz CJQZIBZFZFFQDM-UHFFFAOYSA-N -1 1 324.337 3.180 20 5 DGBDMM CC(C)C[C@@H]1CCCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193655239 432488545 /nfs/dbraw/zinc/48/85/45/432488545.db2.gz UPYUDPMTEGWRDJ-ZDUSSCGKSA-N -1 1 321.377 3.126 20 5 DGBDMM CCCCn1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C(C)C ZINC000361281809 433078402 /nfs/dbraw/zinc/07/84/02/433078402.db2.gz LWRWVHWAEIZGTD-UHFFFAOYSA-N -1 1 319.365 3.295 20 5 DGBDMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2C)o1 ZINC000426772626 433592291 /nfs/dbraw/zinc/59/22/91/433592291.db2.gz FSAOAGOGDJBDEC-AWEZNQCLSA-N -1 1 318.329 3.110 20 5 DGBDMM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000507131231 294284028 /nfs/dbraw/zinc/28/40/28/294284028.db2.gz FJQOOIWWRCXZAL-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000507614037 294306004 /nfs/dbraw/zinc/30/60/04/294306004.db2.gz UTBFPVIMTJAULC-UHFFFAOYSA-N -1 1 324.333 3.097 20 5 DGBDMM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1[O-] ZINC000492823237 435057306 /nfs/dbraw/zinc/05/73/06/435057306.db2.gz MMOBUJBKPSKOMV-QPJJXVBHSA-N -1 1 302.261 3.091 20 5 DGBDMM COc1cc([N+](=O)[O-])ccc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000485373065 435565026 /nfs/dbraw/zinc/56/50/26/435565026.db2.gz NQHLKFAZRVNVPM-UHFFFAOYSA-N -1 1 321.358 3.008 20 5 DGBDMM Cc1nc(SCc2ccc([N+](=O)[O-])cc2F)[n-]c(=O)c1C ZINC000539618868 313922120 /nfs/dbraw/zinc/92/21/20/313922120.db2.gz UXZDWJJTWOJCSG-UHFFFAOYSA-N -1 1 309.322 3.139 20 5 DGBDMM O=c1cc(C(F)F)nc(SCc2ccccc2[N+](=O)[O-])[n-]1 ZINC000573607573 315882757 /nfs/dbraw/zinc/88/27/57/315882757.db2.gz SDYWNCONZDTPRL-UHFFFAOYSA-N -1 1 313.285 3.320 20 5 DGBDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000755615762 621581166 /nfs/dbraw/zinc/58/11/66/621581166.db2.gz OTHFHNWMAONQPF-NTMALXAHSA-N -1 1 316.288 3.482 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(F)c3Cl)no2)[n-]1 ZINC000762128856 622055270 /nfs/dbraw/zinc/05/52/70/622055270.db2.gz AMLRDZUAYUPICO-UHFFFAOYSA-N -1 1 322.683 3.356 20 5 DGBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c([O-])cccc1F ZINC000772160238 622858804 /nfs/dbraw/zinc/85/88/04/622858804.db2.gz SVTDPQUKBNZRQV-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM CCc1nc(SCc2ccc([N+](=O)[O-])c(F)c2)[n-]c(=O)c1C ZINC000849921434 632006640 /nfs/dbraw/zinc/00/66/40/632006640.db2.gz LMSPQLWBTARTML-UHFFFAOYSA-N -1 1 323.349 3.393 20 5 DGBDMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263423742 658229256 /nfs/dbraw/zinc/22/92/56/658229256.db2.gz PTOUPFASLUBPRP-SNVBAGLBSA-N -1 1 320.370 3.228 20 5 DGBDMM C[C@H](CN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000263514438 658264250 /nfs/dbraw/zinc/26/42/50/658264250.db2.gz OHIWZLNVTALVAE-SSDOTTSWSA-N -1 1 321.160 3.054 20 5 DGBDMM O=C([N-]c1ccnc(F)c1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001587730598 1192414339 /nfs/dbraw/zinc/41/43/39/1192414339.db2.gz NVQWLNDIMFCYJS-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM CC1(C)CCC[C@@H]1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590096523 1192489724 /nfs/dbraw/zinc/48/97/24/1192489724.db2.gz PKHYBFBUWYYWOM-MRVPVSSYSA-N -1 1 322.394 3.075 20 5 DGBDMM CC1(C)CCC[C@@H]1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590096523 1192489727 /nfs/dbraw/zinc/48/97/27/1192489727.db2.gz PKHYBFBUWYYWOM-MRVPVSSYSA-N -1 1 322.394 3.075 20 5 DGBDMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(C)c1 ZINC001592166968 1192598098 /nfs/dbraw/zinc/59/80/98/1192598098.db2.gz RVULGYXLOTYVKT-UHFFFAOYSA-N -1 1 324.344 3.004 20 5 DGBDMM O=[N+]([O-])c1c(Oc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC001593469060 1192631672 /nfs/dbraw/zinc/63/16/72/1192631672.db2.gz LKNMXTKBWJVCTJ-UHFFFAOYSA-N -1 1 317.692 3.221 20 5 DGBDMM O=[N+]([O-])c1c(Oc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC001593469060 1192631675 /nfs/dbraw/zinc/63/16/75/1192631675.db2.gz LKNMXTKBWJVCTJ-UHFFFAOYSA-N -1 1 317.692 3.221 20 5 DGBDMM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)cc1[N+](=O)[O-] ZINC001444909165 1182132237 /nfs/dbraw/zinc/13/22/37/1182132237.db2.gz QQCWMRMUNXCZDC-SNVBAGLBSA-N -1 1 318.304 3.239 20 5 DGBDMM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001456170045 1182403075 /nfs/dbraw/zinc/40/30/75/1182403075.db2.gz HPLHRHBTSWHRCJ-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(C)noc1C(C)C ZINC001462887363 1182999774 /nfs/dbraw/zinc/99/97/74/1182999774.db2.gz MDCRHVBHKBTLCF-UHFFFAOYSA-N -1 1 319.317 3.276 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC1CCCCCCC1 ZINC001607087944 1193211046 /nfs/dbraw/zinc/21/10/46/1193211046.db2.gz BIXQFWPSRJGWGD-UHFFFAOYSA-N -1 1 322.394 3.361 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC1CCCCCCC1 ZINC001607087944 1193211048 /nfs/dbraw/zinc/21/10/48/1193211048.db2.gz BIXQFWPSRJGWGD-UHFFFAOYSA-N -1 1 322.394 3.361 20 5 DGBDMM C[C@@H](NCc1csc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001607423546 1193230089 /nfs/dbraw/zinc/23/00/89/1193230089.db2.gz NOCNHYIZZBQHAU-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)c1cccc([N+](=O)[O-])c1Cl ZINC001557407357 1189061634 /nfs/dbraw/zinc/06/16/34/1189061634.db2.gz CQXHYWDBBIQWDH-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CC1(C)CCC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001575667896 1191502606 /nfs/dbraw/zinc/50/26/06/1191502606.db2.gz FWAPTGFBGPYOGY-UHFFFAOYSA-N -1 1 316.365 3.156 20 5 DGBDMM CC1(C)CCC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001575667896 1191502609 /nfs/dbraw/zinc/50/26/09/1191502609.db2.gz FWAPTGFBGPYOGY-UHFFFAOYSA-N -1 1 316.365 3.156 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001641036056 1194836540 /nfs/dbraw/zinc/83/65/40/1194836540.db2.gz XQNUMKHCTVRKOW-VXGBXAGGSA-N -1 1 316.288 3.182 20 5 DGBDMM O=[N+]([O-])c1c(NCc2ccc([O-])c(Cl)c2)nc2sccn21 ZINC001652191082 1195559704 /nfs/dbraw/zinc/55/97/04/1195559704.db2.gz DVTDMUBFTACXAS-UHFFFAOYSA-N -1 1 324.749 3.275 20 5 DGBDMM CCC1(CC)CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001654533946 1195814528 /nfs/dbraw/zinc/81/45/28/1195814528.db2.gz AJYWZFNNUANWRM-UHFFFAOYSA-N -1 1 321.377 3.174 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001648851142 1081943533 /nfs/dbraw/zinc/94/35/33/1081943533.db2.gz WNVRDEQLFPSHAB-NWDGAFQWSA-N -1 1 316.288 3.182 20 5 DGBDMM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001142537722 1087280689 /nfs/dbraw/zinc/28/06/89/1087280689.db2.gz REZRFKSOBJPQSC-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(F)c1F ZINC001140653191 1091946962 /nfs/dbraw/zinc/94/69/62/1091946962.db2.gz YRJNVIRKFYFXBK-BAQGIRSFSA-N -1 1 320.251 3.231 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ncc(Cl)nc2Cl)ccc1[O-] ZINC001210393472 1093151528 /nfs/dbraw/zinc/15/15/28/1093151528.db2.gz VSVUPHKEFFSCJG-UHFFFAOYSA-N -1 1 301.089 3.141 20 5 DGBDMM Nc1cc(Cl)cc2ccn(-c3ccc([O-])c([N+](=O)[O-])c3)c21 ZINC001210397596 1093153618 /nfs/dbraw/zinc/15/36/18/1093153618.db2.gz CRHKZWWULHNPDA-UHFFFAOYSA-N -1 1 303.705 3.480 20 5 DGBDMM Cc1cc2c(ccc(N)c2F)n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398164 1093153751 /nfs/dbraw/zinc/15/37/51/1093153751.db2.gz TTWZCWMGVLPAKX-UHFFFAOYSA-N -1 1 301.277 3.274 20 5 DGBDMM Cc1cc([O-])c(OC2CC(OC(=O)C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229754156 1097377140 /nfs/dbraw/zinc/37/71/40/1097377140.db2.gz OAHYUFCCCADZKP-UHFFFAOYSA-N -1 1 323.345 3.108 20 5 DGBDMM COc1ccc([C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])cc1 ZINC001231259513 1097705715 /nfs/dbraw/zinc/70/57/15/1097705715.db2.gz NOESFZPQJBYXKH-JTQLQIEISA-N -1 1 304.302 3.152 20 5 DGBDMM C[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ncccn1 ZINC001233501219 1098353602 /nfs/dbraw/zinc/35/36/02/1098353602.db2.gz XZOOVNXZOBCZBG-SSDOTTSWSA-N -1 1 319.708 3.055 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001151780037 1100095398 /nfs/dbraw/zinc/09/53/98/1100095398.db2.gz SHCMSVOOJBUTHL-UHFFFAOYSA-N -1 1 315.260 3.173 20 5 DGBDMM COc1cc(C(C)=O)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222411 1102532879 /nfs/dbraw/zinc/53/28/79/1102532879.db2.gz NVRLEKOKETZREZ-UHFFFAOYSA-N -1 1 302.286 3.255 20 5 DGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c(cc(F)c(F)c3F)[nH]2)c1 ZINC001251385441 1105655262 /nfs/dbraw/zinc/65/52/62/1105655262.db2.gz ACFFIUOPJYSGOY-UHFFFAOYSA-N -1 1 309.203 3.261 20 5 DGBDMM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306857271 1111244505 /nfs/dbraw/zinc/24/45/05/1111244505.db2.gz GOZSVXKJZUJNMB-RYUDHWBXSA-N -1 1 321.377 3.032 20 5 DGBDMM O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1[O-] ZINC000179647159 432065252 /nfs/dbraw/zinc/06/52/52/432065252.db2.gz RDIOZAHQLDIWBP-VMPITWQZSA-N -1 1 302.261 3.091 20 5 DGBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1csc([N+](=O)[O-])c1 ZINC000338265598 253253018 /nfs/dbraw/zinc/25/30/18/253253018.db2.gz WOWZQLDQCYCOPO-UHFFFAOYSA-N -1 1 322.327 3.020 20 5 DGBDMM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000354364329 285364391 /nfs/dbraw/zinc/36/43/91/285364391.db2.gz CVOHETGRGAHTAY-UHFFFAOYSA-N -1 1 319.292 3.103 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c([N+](=O)[O-])c1 ZINC000160820138 400736305 /nfs/dbraw/zinc/73/63/05/400736305.db2.gz KIGJPKICCWIROT-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000604036060 400743692 /nfs/dbraw/zinc/74/36/92/400743692.db2.gz RJXPHTJTRDZUKO-UHFFFAOYSA-N -1 1 317.345 3.481 20 5 DGBDMM O=C(Nc1ccc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000604075707 400747440 /nfs/dbraw/zinc/74/74/40/400747440.db2.gz YYWAYUHPLKXALL-UHFFFAOYSA-N -1 1 316.704 3.377 20 5 DGBDMM COc1cc(C(=O)Nc2cccc([O-])c2F)cc([N+](=O)[O-])c1C ZINC000189856975 400910088 /nfs/dbraw/zinc/91/00/88/400910088.db2.gz AHXALLJHQBCFLS-UHFFFAOYSA-N -1 1 320.276 3.009 20 5 DGBDMM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(F)c1 ZINC000346638736 264070449 /nfs/dbraw/zinc/07/04/49/264070449.db2.gz SOXVUSSSMOZSFT-UHFFFAOYSA-N -1 1 307.281 3.102 20 5 DGBDMM COc1cccc(N(CC(C)C)C(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000347159175 264166912 /nfs/dbraw/zinc/16/69/12/264166912.db2.gz JQJAIBHWDYKBIF-UHFFFAOYSA-N -1 1 317.345 3.234 20 5 DGBDMM CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000355821551 266198807 /nfs/dbraw/zinc/19/88/07/266198807.db2.gz FTVXFJIZMVCVEF-UHFFFAOYSA-N -1 1 300.274 3.039 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032585562 431784822 /nfs/dbraw/zinc/78/48/22/431784822.db2.gz RBYNJYQFTLBXRD-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000089399095 431864544 /nfs/dbraw/zinc/86/45/44/431864544.db2.gz NXPXTPATVPIYLS-UHFFFAOYSA-N -1 1 321.358 3.428 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000091054582 431901161 /nfs/dbraw/zinc/90/11/61/431901161.db2.gz DVOWKYPUMSMWQQ-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000192731622 432407274 /nfs/dbraw/zinc/40/72/74/432407274.db2.gz SKRMQNUAUQLKDP-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263440748 432545550 /nfs/dbraw/zinc/54/55/50/432545550.db2.gz WLAPZBJONWCFPM-UHFFFAOYSA-N -1 1 318.329 3.151 20 5 DGBDMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263440748 432545554 /nfs/dbraw/zinc/54/55/54/432545554.db2.gz WLAPZBJONWCFPM-UHFFFAOYSA-N -1 1 318.329 3.151 20 5 DGBDMM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000267303314 432831092 /nfs/dbraw/zinc/83/10/92/432831092.db2.gz MAODBPNJAAHXRI-UHFFFAOYSA-N -1 1 319.292 3.246 20 5 DGBDMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000426806324 433606321 /nfs/dbraw/zinc/60/63/21/433606321.db2.gz BKQYTSZXAUNDEZ-CYBMUJFWSA-N -1 1 318.329 3.110 20 5 DGBDMM COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1C ZINC000345947880 434019452 /nfs/dbraw/zinc/01/94/52/434019452.db2.gz FNLQAFFAVRVCAH-UHFFFAOYSA-N -1 1 303.318 3.109 20 5 DGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1[O-] ZINC000340331516 434066826 /nfs/dbraw/zinc/06/68/26/434066826.db2.gz QIJANOAJUCPSEE-UHFFFAOYSA-N -1 1 304.277 3.011 20 5 DGBDMM O=C(c1cc([O-])ccc1Cl)N1CCc2c1cccc2[N+](=O)[O-] ZINC000340561898 434207145 /nfs/dbraw/zinc/20/71/45/434207145.db2.gz ASAWUFXOTUYDGU-UHFFFAOYSA-N -1 1 318.716 3.157 20 5 DGBDMM COc1ccc([O-])c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000320413783 434238048 /nfs/dbraw/zinc/23/80/48/434238048.db2.gz IEZUVCZIEGMAFZ-UHFFFAOYSA-N -1 1 313.269 3.026 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(C3(c4ccccc4)CCC3)no2)[n-]1 ZINC000445384652 434796094 /nfs/dbraw/zinc/79/60/94/434796094.db2.gz LZFCJNBNBKRWGX-UHFFFAOYSA-N -1 1 310.313 3.443 20 5 DGBDMM Cc1nc(SCCc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000537417332 435441029 /nfs/dbraw/zinc/44/10/29/435441029.db2.gz UZYWJEATJCZKLP-UHFFFAOYSA-N -1 1 305.359 3.042 20 5 DGBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000485122227 435560587 /nfs/dbraw/zinc/56/05/87/435560587.db2.gz NLBLJVGNIZZXQA-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000519202589 435674871 /nfs/dbraw/zinc/67/48/71/435674871.db2.gz AVKBGPPWNDYLPD-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=[N+]([O-])c1c([N-]c2cnn(-c3ccccc3)c2)nc2ccccn21 ZINC000921059144 620835754 /nfs/dbraw/zinc/83/57/54/620835754.db2.gz SEHBEIBRQWNHOB-UHFFFAOYSA-N -1 1 320.312 3.172 20 5 DGBDMM O=c1nc(NCCCCc2ccc([N+](=O)[O-])cc2)cc(Cl)[n-]1 ZINC000858419649 621188611 /nfs/dbraw/zinc/18/86/11/621188611.db2.gz BVXQJWHEHSQZMO-UHFFFAOYSA-N -1 1 322.752 3.179 20 5 DGBDMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000775597847 623294646 /nfs/dbraw/zinc/29/46/46/623294646.db2.gz VTXQGYJKUOGYRZ-SECBINFHSA-N -1 1 320.732 3.445 20 5 DGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(C(C)C)ns2)c1F ZINC000876483194 623622602 /nfs/dbraw/zinc/62/26/02/623622602.db2.gz YCSYOSMAWCMAOP-UHFFFAOYSA-N -1 1 324.337 3.270 20 5 DGBDMM O=C(OCc1ccc2ccccc2n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074649 623856709 /nfs/dbraw/zinc/85/67/09/623856709.db2.gz HBXCHHMBVAFXTD-UHFFFAOYSA-N -1 1 324.292 3.206 20 5 DGBDMM Cc1csc([C@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000877813588 624045719 /nfs/dbraw/zinc/04/57/19/624045719.db2.gz MQTOHJQCEQZNQA-NSHDSACASA-N -1 1 319.386 3.055 20 5 DGBDMM Cc1c(CNC(=O)c2c([O-])cccc2Cl)cccc1[N+](=O)[O-] ZINC000791016172 625738447 /nfs/dbraw/zinc/73/84/47/625738447.db2.gz MZWLCNOMKGTPFM-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2F)cc1 ZINC000800041393 626797965 /nfs/dbraw/zinc/79/79/65/626797965.db2.gz LMHGTKIWBXZQIW-KTKRTIGZSA-N -1 1 322.317 3.147 20 5 DGBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000928786347 628188734 /nfs/dbraw/zinc/18/87/34/628188734.db2.gz KDAMIGMWQQXSPE-UHFFFAOYSA-N -1 1 307.281 3.406 20 5 DGBDMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000821124006 628338274 /nfs/dbraw/zinc/33/82/74/628338274.db2.gz LJYXZLMLVASRPR-UHFFFAOYSA-N -1 1 322.317 3.178 20 5 DGBDMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833207081 629571339 /nfs/dbraw/zinc/57/13/39/629571339.db2.gz GYWAPNWKZGWQKP-LLVKDONJSA-N -1 1 312.753 3.077 20 5 DGBDMM CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C(=O)[O-] ZINC000833694061 629641921 /nfs/dbraw/zinc/64/19/21/629641921.db2.gz HVFWKETYIWERHX-UHFFFAOYSA-N -1 1 318.329 3.150 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000089408322 658408095 /nfs/dbraw/zinc/40/80/95/658408095.db2.gz GCXMBOGKBKHRDF-UHFFFAOYSA-N -1 1 307.281 3.153 20 5 DGBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CCCC1 ZINC001576998153 1191879633 /nfs/dbraw/zinc/87/96/33/1191879633.db2.gz AZKCDYIKKAKKQI-SECBINFHSA-N -1 1 322.394 3.217 20 5 DGBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CCCC1 ZINC001576998153 1191879636 /nfs/dbraw/zinc/87/96/36/1191879636.db2.gz AZKCDYIKKAKKQI-SECBINFHSA-N -1 1 322.394 3.217 20 5 DGBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CCCCC1 ZINC001589981793 1192481408 /nfs/dbraw/zinc/48/14/08/1192481408.db2.gz UMUDNKITTSIBSH-MRVPVSSYSA-N -1 1 322.394 3.217 20 5 DGBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CCCCC1 ZINC001589981793 1192481410 /nfs/dbraw/zinc/48/14/10/1192481410.db2.gz UMUDNKITTSIBSH-MRVPVSSYSA-N -1 1 322.394 3.217 20 5 DGBDMM CCCCCSc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590598637 1192530589 /nfs/dbraw/zinc/53/05/89/1192530589.db2.gz UWQVADXTTCNPGW-UHFFFAOYSA-N -1 1 311.342 3.196 20 5 DGBDMM CCC(C)(C)[C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603983675 1193040978 /nfs/dbraw/zinc/04/09/78/1193040978.db2.gz UNYCCBPLQUHISD-SSDOTTSWSA-N -1 1 310.383 3.073 20 5 DGBDMM CCC(C)(C)[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603983675 1193040980 /nfs/dbraw/zinc/04/09/80/1193040980.db2.gz UNYCCBPLQUHISD-SSDOTTSWSA-N -1 1 310.383 3.073 20 5 DGBDMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)cc([N+](=O)[O-])c1 ZINC001450900144 1182259284 /nfs/dbraw/zinc/25/92/84/1182259284.db2.gz MHPIETKMBLWKAH-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001450893552 1182259767 /nfs/dbraw/zinc/25/97/67/1182259767.db2.gz FPQDGPZAPDYXSC-QMMMGPOBSA-N -1 1 322.267 3.321 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1ccc(Cl)cc1 ZINC001607088810 1193210691 /nfs/dbraw/zinc/21/06/91/1193210691.db2.gz XWXGTLSNIXAECF-UHFFFAOYSA-N -1 1 323.721 3.282 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1ccc(Cl)cc1 ZINC001607088810 1193210694 /nfs/dbraw/zinc/21/06/94/1193210694.db2.gz XWXGTLSNIXAECF-UHFFFAOYSA-N -1 1 323.721 3.282 20 5 DGBDMM Cc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001607651766 1193245810 /nfs/dbraw/zinc/24/58/10/1193245810.db2.gz PHUCJGLXGZFBNZ-GFCCVEGCSA-N -1 1 314.341 3.452 20 5 DGBDMM C[C@@H](NCc1ccsc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001609780873 1193356053 /nfs/dbraw/zinc/35/60/53/1193356053.db2.gz JXDQURLRNMUNNL-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM O=C([N-]c1ccnc(F)c1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001539699501 1188199185 /nfs/dbraw/zinc/19/91/85/1188199185.db2.gz WUHKEWAYNYSJDF-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc([O-])c1F ZINC001631889756 1194360779 /nfs/dbraw/zinc/36/07/79/1194360779.db2.gz UAQOMCBZUGWSDB-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC001635379363 1194548203 /nfs/dbraw/zinc/54/82/03/1194548203.db2.gz OLVNELGFFGSCIJ-UHFFFAOYSA-N -1 1 322.267 3.448 20 5 DGBDMM O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001167427525 1082097871 /nfs/dbraw/zinc/09/78/71/1082097871.db2.gz PJLVBMDKOBSFOR-UHFFFAOYSA-N -1 1 317.198 3.333 20 5 DGBDMM O=C(Nc1c[n-][nH]c1=O)c1cc2ccccc2c2cccnc12 ZINC001183561537 1083972404 /nfs/dbraw/zinc/97/24/04/1083972404.db2.gz DJLBGIXUPCXOEB-UHFFFAOYSA-N -1 1 304.309 3.069 20 5 DGBDMM O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001204875900 1091052252 /nfs/dbraw/zinc/05/22/52/1091052252.db2.gz RIATVQJTEHXQCS-UHFFFAOYSA-N -1 1 320.295 3.137 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)c3nccn3c2)ccc1[O-] ZINC001210394079 1093152026 /nfs/dbraw/zinc/15/20/26/1093152026.db2.gz NFUUEZLSKBYLPY-UHFFFAOYSA-N -1 1 304.693 3.345 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cncc(N3CCCCC3)c2)ccc1[O-] ZINC001210396566 1093153263 /nfs/dbraw/zinc/15/32/63/1093153263.db2.gz VCNGDOQHGFQROH-UHFFFAOYSA-N -1 1 314.345 3.429 20 5 DGBDMM O=C(Nc1cc(F)ccc1[O-])c1c(Cl)cccc1[N+](=O)[O-] ZINC001138016157 1095837492 /nfs/dbraw/zinc/83/74/92/1095837492.db2.gz IJDWYVFKPIHRIY-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CCCC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228144475 1097061729 /nfs/dbraw/zinc/06/17/29/1097061729.db2.gz VDBGNGPOCRPAKN-GFCCVEGCSA-N -1 1 303.318 3.401 20 5 DGBDMM C[C@H]1CCC[C@@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861087 1097205526 /nfs/dbraw/zinc/20/55/26/1097205526.db2.gz ARMNAZTWMLLXTD-XPUUQOCRSA-N -1 1 306.240 3.282 20 5 DGBDMM COc1ccc([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC001229395289 1097312068 /nfs/dbraw/zinc/31/20/68/1097312068.db2.gz GSGITEZRJLWMSP-SNVBAGLBSA-N -1 1 319.313 3.458 20 5 DGBDMM Cc1cc([O-])c(O[C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC001229751088 1097376556 /nfs/dbraw/zinc/37/65/56/1097376556.db2.gz RDWGTORXFNCRTC-LBPRGKRZSA-N -1 1 303.314 3.455 20 5 DGBDMM Cc1cn2c(n1)[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])CCC2 ZINC001229753415 1097377199 /nfs/dbraw/zinc/37/71/99/1097377199.db2.gz IZBWXSNYRIRVQS-ZDUSSCGKSA-N -1 1 303.318 3.028 20 5 DGBDMM Cc1cc([O-])c(OC[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC001229754450 1097377219 /nfs/dbraw/zinc/37/72/19/1097377219.db2.gz PXBIQMVDQGPKKS-LBPRGKRZSA-N -1 1 303.314 3.455 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC(=O)c3ccccc32)n1 ZINC001231259026 1097705940 /nfs/dbraw/zinc/70/59/40/1097705940.db2.gz DAKUKUSHVMZWDB-AWEZNQCLSA-N -1 1 314.297 3.100 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)COc2ccccc2C)n1 ZINC001231262731 1097707449 /nfs/dbraw/zinc/70/74/49/1097707449.db2.gz GUMFHQPRXWEKTB-LBPRGKRZSA-N -1 1 318.329 3.159 20 5 DGBDMM CCC(=O)[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498582 1098351536 /nfs/dbraw/zinc/35/15/36/1098351536.db2.gz MAIWOYHZIDROMY-LBPRGKRZSA-N -1 1 311.725 3.261 20 5 DGBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ncccn1 ZINC001233501221 1098353990 /nfs/dbraw/zinc/35/39/90/1098353990.db2.gz XZOOVNXZOBCZBG-ZETCQYMHSA-N -1 1 319.708 3.055 20 5 DGBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001234877688 1098694286 /nfs/dbraw/zinc/69/42/86/1098694286.db2.gz QDOJOZPWLYIORF-SRSLHRDFSA-N -1 1 314.135 3.240 20 5 DGBDMM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(C)=O)c1 ZINC001201232622 1102524225 /nfs/dbraw/zinc/52/42/25/1102524225.db2.gz STGSPNSBQFDJGV-UHFFFAOYSA-N -1 1 302.286 3.255 20 5 DGBDMM Cc1ncc([N+](=O)[O-])cc1Nc1nc2c(cccc2[O-])s1 ZINC001248745993 1105154627 /nfs/dbraw/zinc/15/46/27/1105154627.db2.gz JRRUWQDIYFKIKC-UHFFFAOYSA-N -1 1 302.315 3.357 20 5 DGBDMM COc1cc([N+](=O)[O-])cc(-c2nc3cc(C)c(F)cc3[nH]2)c1[O-] ZINC001250819888 1105590093 /nfs/dbraw/zinc/59/00/93/1105590093.db2.gz LYEDSQGSGOMXEO-UHFFFAOYSA-N -1 1 317.276 3.300 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC001251046429 1105623846 /nfs/dbraw/zinc/62/38/46/1105623846.db2.gz RZRJBGLWKYCCSU-UHFFFAOYSA-N -1 1 306.281 3.392 20 5 DGBDMM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(F)cc1[O-] ZINC001306799480 1110217532 /nfs/dbraw/zinc/21/75/32/1110217532.db2.gz MVAXHHAQRMFVPV-UHFFFAOYSA-N -1 1 322.267 3.150 20 5 DGBDMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001303498471 1111145411 /nfs/dbraw/zinc/14/54/11/1111145411.db2.gz WATOFOWOLNSMNK-SECBINFHSA-N -1 1 320.732 3.445 20 5 DGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)c1 ZINC000067296290 432028913 /nfs/dbraw/zinc/02/89/13/432028913.db2.gz CQGJGNNTXDXOTO-UHFFFAOYSA-N -1 1 308.240 3.134 20 5 DGBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(Cl)c1 ZINC000134806144 432085819 /nfs/dbraw/zinc/08/58/19/432085819.db2.gz OPSCWSKBQNIGSZ-UHFFFAOYSA-N -1 1 306.705 3.135 20 5 DGBDMM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000490309080 245396230 /nfs/dbraw/zinc/39/62/30/245396230.db2.gz SELUYAPXRSXCGS-UHFFFAOYSA-N -1 1 313.313 3.158 20 5 DGBDMM CC(C)(C)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)no1 ZINC000266021977 205034598 /nfs/dbraw/zinc/03/45/98/205034598.db2.gz RRAVCAOOAHPMQI-UHFFFAOYSA-N -1 1 307.281 3.272 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1F ZINC000135674717 284486586 /nfs/dbraw/zinc/48/65/86/284486586.db2.gz FFNSRDNAVPBNNL-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000343465876 254147805 /nfs/dbraw/zinc/14/78/05/254147805.db2.gz MYYPBZIHTOQBAP-UHFFFAOYSA-N -1 1 309.709 3.227 20 5 DGBDMM O=C(Nc1cccc(-c2nccs2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343734675 254182775 /nfs/dbraw/zinc/18/27/75/254182775.db2.gz MGNVEAMEFGBXNJ-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000609657867 400185235 /nfs/dbraw/zinc/18/52/35/400185235.db2.gz LUPFTVNBCMKWNQ-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CSc1ccncc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610545896 400274254 /nfs/dbraw/zinc/27/42/54/400274254.db2.gz WXEXNWJXXBNKTG-UHFFFAOYSA-N -1 1 307.306 3.103 20 5 DGBDMM CC[C@@H](C)n1nc([N-]c2c(Cl)cncc2[N+](=O)[O-])cc1C ZINC000596185451 400343613 /nfs/dbraw/zinc/34/36/13/400343613.db2.gz LVFDLBSRONCWFY-MRVPVSSYSA-N -1 1 309.757 3.285 20 5 DGBDMM Cc1ccc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000613512036 400740341 /nfs/dbraw/zinc/74/03/41/400740341.db2.gz GCBMVDPWSKGFBX-JTQLQIEISA-N -1 1 318.304 3.239 20 5 DGBDMM O=C([N-]c1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])s1 ZINC000015003162 431601015 /nfs/dbraw/zinc/60/10/15/431601015.db2.gz SGKOQFYYWSYRPL-UHFFFAOYSA-N -1 1 302.233 3.326 20 5 DGBDMM CCCN(CC1CCCCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193448670 432474728 /nfs/dbraw/zinc/47/47/28/432474728.db2.gz MERRKOKYHXINPJ-UHFFFAOYSA-N -1 1 321.377 3.128 20 5 DGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189741328 432815831 /nfs/dbraw/zinc/81/58/31/432815831.db2.gz DYTLTIKXHYFMGI-UHFFFAOYSA-N -1 1 318.763 3.111 20 5 DGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1-c1ncco1 ZINC000361626267 433297062 /nfs/dbraw/zinc/29/70/62/433297062.db2.gz XHDZNUMGCKCFDV-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000436478559 433973713 /nfs/dbraw/zinc/97/37/13/433973713.db2.gz MOIYAJJKUIAUDU-UHFFFAOYSA-N -1 1 304.327 3.039 20 5 DGBDMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000436584319 434022280 /nfs/dbraw/zinc/02/22/80/434022280.db2.gz MJYSKPYNNIJXBH-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000340327769 434062449 /nfs/dbraw/zinc/06/24/49/434062449.db2.gz LZBKKXCNWFGTOP-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c([O-])c1 ZINC000445480237 434805091 /nfs/dbraw/zinc/80/50/91/434805091.db2.gz HXMYDYKFTXVYGG-UHFFFAOYSA-N -1 1 303.299 3.387 20 5 DGBDMM CC(C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1cccc(F)c1 ZINC000445624882 434818295 /nfs/dbraw/zinc/81/82/95/434818295.db2.gz VLPWDQLOXVJKDP-UHFFFAOYSA-N -1 1 316.292 3.438 20 5 DGBDMM CC(=O)c1cccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1[O-] ZINC000571125935 435678674 /nfs/dbraw/zinc/67/86/74/435678674.db2.gz NDOXFPCYMSATPG-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491602587 435778647 /nfs/dbraw/zinc/77/86/47/435778647.db2.gz VUEPLJBJGQRUGI-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000538755352 313881854 /nfs/dbraw/zinc/88/18/54/313881854.db2.gz NXSNOSWTSUCBIN-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM CC(C)N(Cc1ccoc1C(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000583269186 324334090 /nfs/dbraw/zinc/33/40/90/324334090.db2.gz YYLYRDQVEMUEEQ-UHFFFAOYSA-N -1 1 318.329 3.297 20 5 DGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000445133476 527167052 /nfs/dbraw/zinc/16/70/52/527167052.db2.gz HPEGTFBJKFTFHH-UHFFFAOYSA-N -1 1 321.377 3.032 20 5 DGBDMM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725828452 575922926 /nfs/dbraw/zinc/92/29/26/575922926.db2.gz IGBPYVAUBALWHY-SNVBAGLBSA-N -1 1 320.798 3.105 20 5 DGBDMM Cc1ccc2c(c1)SCCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000854516846 620812109 /nfs/dbraw/zinc/81/21/09/620812109.db2.gz SUTBQZPGEGETKE-UHFFFAOYSA-N -1 1 317.370 3.374 20 5 DGBDMM Cc1c(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000864042032 621730889 /nfs/dbraw/zinc/73/08/89/621730889.db2.gz UAHXQSACWIIHNL-UHFFFAOYSA-N -1 1 324.340 3.407 20 5 DGBDMM CC(C)C(C)(C)SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000762992704 622114800 /nfs/dbraw/zinc/11/48/00/622114800.db2.gz YJVLAPHSTRMQGC-UHFFFAOYSA-N -1 1 324.402 3.019 20 5 DGBDMM O=C(OCCCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071975 623857388 /nfs/dbraw/zinc/85/73/88/623857388.db2.gz MYBUUXJGRBUVNP-UHFFFAOYSA-N -1 1 301.298 3.090 20 5 DGBDMM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000823124030 628529151 /nfs/dbraw/zinc/52/91/51/628529151.db2.gz CTJYEXVNWDJECX-UHFFFAOYSA-N -1 1 324.337 3.135 20 5 DGBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2ccc(O)cc2c1[O-] ZINC001587129200 1192370422 /nfs/dbraw/zinc/37/04/22/1192370422.db2.gz XPFBAQPSBZLKDE-UHFFFAOYSA-N -1 1 324.292 3.412 20 5 DGBDMM CC(C)CC(C)(C)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589541731 1192467044 /nfs/dbraw/zinc/46/70/44/1192467044.db2.gz RQAYPCANUBYRHT-UHFFFAOYSA-N -1 1 318.381 3.259 20 5 DGBDMM CC(C)CC(C)(C)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589541731 1192467046 /nfs/dbraw/zinc/46/70/46/1192467046.db2.gz RQAYPCANUBYRHT-UHFFFAOYSA-N -1 1 318.381 3.259 20 5 DGBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001589980717 1192480363 /nfs/dbraw/zinc/48/03/63/1192480363.db2.gz CVHLVSGKTPEEGW-SNVBAGLBSA-N -1 1 316.365 3.156 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]1C ZINC001590249110 1192497860 /nfs/dbraw/zinc/49/78/60/1192497860.db2.gz BGMHIZOAHLVNBJ-VGMNWLOBSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]1C ZINC001590249110 1192497863 /nfs/dbraw/zinc/49/78/63/1192497863.db2.gz BGMHIZOAHLVNBJ-VGMNWLOBSA-N -1 1 322.394 3.073 20 5 DGBDMM Cc1cnc(SCc2cc(Cl)ccc2[N+](=O)[O-])[n-]c1=O ZINC001643947283 1195065661 /nfs/dbraw/zinc/06/56/61/1195065661.db2.gz ADSLTAMDNIKBBG-UHFFFAOYSA-N -1 1 311.750 3.345 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603880201 1193035627 /nfs/dbraw/zinc/03/56/27/1193035627.db2.gz FMIRLTSOPIDOEI-HRDYMLBCSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603880201 1193035630 /nfs/dbraw/zinc/03/56/30/1193035630.db2.gz FMIRLTSOPIDOEI-HRDYMLBCSA-N -1 1 322.394 3.073 20 5 DGBDMM Cc1ccccc1Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605943118 1193185141 /nfs/dbraw/zinc/18/51/41/1193185141.db2.gz MRHYCLBVTIGUPL-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM Cc1ccccc1Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605943118 1193185144 /nfs/dbraw/zinc/18/51/44/1193185144.db2.gz MRHYCLBVTIGUPL-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM CC(C)CC[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001466034755 1183184573 /nfs/dbraw/zinc/18/45/73/1183184573.db2.gz QOFOIDVBQQCVJE-CYBMUJFWSA-N -1 1 321.377 3.126 20 5 DGBDMM C[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC001607422339 1193230245 /nfs/dbraw/zinc/23/02/45/1193230245.db2.gz RONANGHSHOYVGD-RNCFNFMXSA-N -1 1 306.343 3.133 20 5 DGBDMM CSc1c(F)cccc1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001538802809 1188163095 /nfs/dbraw/zinc/16/30/95/1188163095.db2.gz WEZGELNUEHKEEP-UHFFFAOYSA-N -1 1 321.333 3.412 20 5 DGBDMM CC(C)(NC(=O)c1cccc([O-])c1F)c1ccccc1[N+](=O)[O-] ZINC001569731524 1190751221 /nfs/dbraw/zinc/75/12/21/1190751221.db2.gz ZOYLYVMZUFARRI-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC001570103154 1190796370 /nfs/dbraw/zinc/79/63/70/1190796370.db2.gz GQEQCCCXVSILCX-UHFFFAOYSA-N -1 1 322.267 3.448 20 5 DGBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001633818388 1194457324 /nfs/dbraw/zinc/45/73/24/1194457324.db2.gz CHCUDFOUCTWGCJ-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001637069406 1194648802 /nfs/dbraw/zinc/64/88/02/1194648802.db2.gz VGKDSOJQRPHUKA-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([O-])c(F)cc1F ZINC001642154745 1194890746 /nfs/dbraw/zinc/89/07/46/1194890746.db2.gz PJXJMOHALRGANW-UHFFFAOYSA-N -1 1 322.267 3.150 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001642769286 1194937137 /nfs/dbraw/zinc/93/71/37/1194937137.db2.gz RUCRHZUDLOYECY-NWDGAFQWSA-N -1 1 316.288 3.182 20 5 DGBDMM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001654505638 1195811517 /nfs/dbraw/zinc/81/15/17/1195811517.db2.gz NKJJSCWUEZUITL-RYUDHWBXSA-N -1 1 321.377 3.030 20 5 DGBDMM O=C([O-])c1cccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001595244954 949510510 /nfs/dbraw/zinc/51/05/10/949510510.db2.gz IGMJEIMUAANFON-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM O=C([N-]c1noc2c1CCCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC001337721390 1095071680 /nfs/dbraw/zinc/07/16/80/1095071680.db2.gz AKUWEXRAFWSBFC-UHFFFAOYSA-N -1 1 321.720 3.367 20 5 DGBDMM O=c1cc[n-]c(OC2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC001225659952 1096496875 /nfs/dbraw/zinc/49/68/75/1096496875.db2.gz ASVROAKMWZEMLN-UHFFFAOYSA-N -1 1 306.240 3.195 20 5 DGBDMM O=c1cc[n-]c(O[C@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001225661148 1096498144 /nfs/dbraw/zinc/49/81/44/1096498144.db2.gz KEHLTDGOKIOZKT-LLVKDONJSA-N -1 1 314.219 3.378 20 5 DGBDMM O=[N+]([O-])c1c([O-])ccnc1O[C@H](c1ccccc1)C(F)(F)F ZINC001225661148 1096498148 /nfs/dbraw/zinc/49/81/48/1096498148.db2.gz KEHLTDGOKIOZKT-LLVKDONJSA-N -1 1 314.219 3.378 20 5 DGBDMM O=c1cc[n-]c(O[C@@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001225667646 1096499096 /nfs/dbraw/zinc/49/90/96/1096499096.db2.gz VFNNECUSHVUTQV-GFCCVEGCSA-N -1 1 306.705 3.415 20 5 DGBDMM CCC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC001228142012 1097061153 /nfs/dbraw/zinc/06/11/53/1097061153.db2.gz YCYUQBDKKZJZKZ-LBPRGKRZSA-N -1 1 319.317 3.019 20 5 DGBDMM C[C@H]1CCC[C@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861086 1097205031 /nfs/dbraw/zinc/20/50/31/1097205031.db2.gz ARMNAZTWMLLXTD-POYBYMJQSA-N -1 1 306.240 3.282 20 5 DGBDMM C[NH+]1C(C)(C)CC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1(C)C ZINC001228971309 1097228767 /nfs/dbraw/zinc/22/87/67/1097228767.db2.gz NLKUSABFUDLLGT-UHFFFAOYSA-N -1 1 324.377 3.036 20 5 DGBDMM Cc1nc(O[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378299 1097310054 /nfs/dbraw/zinc/31/00/54/1097310054.db2.gz KBIRXOCTBUWONY-SSDOTTSWSA-N -1 1 309.709 3.192 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(OC2CC(OCc3ccccc3)C2)c1 ZINC001229394672 1097311569 /nfs/dbraw/zinc/31/15/69/1097311569.db2.gz ASZMRVZSHSYRDD-UHFFFAOYSA-N -1 1 315.325 3.427 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H](c2cccnc2)C(F)(F)F)c1 ZINC001229396330 1097312885 /nfs/dbraw/zinc/31/28/85/1097312885.db2.gz RXCRPUYVWCURMY-LBPRGKRZSA-N -1 1 314.219 3.378 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccnc2Cl)n1 ZINC001231259481 1097705154 /nfs/dbraw/zinc/70/51/54/1097705154.db2.gz MRGQIBLPCGQLNL-MRVPVSSYSA-N -1 1 309.709 3.192 20 5 DGBDMM COc1ccc([C@@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c(F)c1 ZINC001231262072 1097706894 /nfs/dbraw/zinc/70/68/94/1097706894.db2.gz CYKUEVPXFFFHGM-SECBINFHSA-N -1 1 322.292 3.292 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccc(N(C)C)c2)n1 ZINC001231263837 1097707236 /nfs/dbraw/zinc/70/72/36/1097707236.db2.gz MUKDVXJZWLSZFO-NSHDSACASA-N -1 1 317.345 3.210 20 5 DGBDMM CCn1c2cc(OC)ccc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251389411 1105656029 /nfs/dbraw/zinc/65/60/29/1105656029.db2.gz KLYMUFWLODRCLO-UHFFFAOYSA-N -1 1 313.313 3.346 20 5 DGBDMM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306857269 1111244553 /nfs/dbraw/zinc/24/45/53/1111244553.db2.gz GOZSVXKJZUJNMB-NEPJUHHUSA-N -1 1 321.377 3.032 20 5 DGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000006584077 181356764 /nfs/dbraw/zinc/35/67/64/181356764.db2.gz GXQSALKDCSGKSP-UHFFFAOYSA-N -1 1 322.320 3.384 20 5 DGBDMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340477910 253628112 /nfs/dbraw/zinc/62/81/12/253628112.db2.gz YWZYVMIIPHAUQL-UHFFFAOYSA-N -1 1 315.207 3.074 20 5 DGBDMM COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340473966 253628170 /nfs/dbraw/zinc/62/81/70/253628170.db2.gz FOJYBSXQTJLUDX-UHFFFAOYSA-N -1 1 309.709 3.146 20 5 DGBDMM O=C(Nc1ccccc1OC1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343355277 254131361 /nfs/dbraw/zinc/13/13/61/254131361.db2.gz CKPNPESIKWRTSX-UHFFFAOYSA-N -1 1 315.329 3.497 20 5 DGBDMM COCc1cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)no1 ZINC000352204679 533239890 /nfs/dbraw/zinc/23/98/90/533239890.db2.gz APXQYPUXFZBONI-UHFFFAOYSA-N -1 1 307.309 3.290 20 5 DGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC000611305115 400376673 /nfs/dbraw/zinc/37/66/73/400376673.db2.gz SYXZMRWPOPODDW-UHFFFAOYSA-N -1 1 318.354 3.273 20 5 DGBDMM CCCCC[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598459382 400815970 /nfs/dbraw/zinc/81/59/70/400815970.db2.gz DGWOGUSYZQGXCJ-CYBMUJFWSA-N -1 1 321.377 3.270 20 5 DGBDMM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604571384 400789944 /nfs/dbraw/zinc/78/99/44/400789944.db2.gz XODLGYYNZUYWGR-UHFFFAOYSA-N -1 1 300.101 3.482 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000055547457 400876908 /nfs/dbraw/zinc/87/69/08/400876908.db2.gz KECVVAMAMYSHQY-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])cc([N+](=O)[O-])c1C ZINC000358614058 286108041 /nfs/dbraw/zinc/10/80/41/286108041.db2.gz SFUUOVPYWPXJKQ-UHFFFAOYSA-N -1 1 320.276 3.009 20 5 DGBDMM C[C@H](C1CC1)n1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000302486913 230264891 /nfs/dbraw/zinc/26/48/91/230264891.db2.gz YTBXNGMITREBMC-SECBINFHSA-N -1 1 317.305 3.414 20 5 DGBDMM O=C(Nc1cnccc1Oc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000355303991 266032799 /nfs/dbraw/zinc/03/27/99/266032799.db2.gz AGEQGHZEBBEWMV-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM CC1(C)CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC000416360626 278288861 /nfs/dbraw/zinc/28/88/61/278288861.db2.gz NRISRXQIFOYIQR-UHFFFAOYSA-N -1 1 320.374 3.147 20 5 DGBDMM CCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000008104836 431378565 /nfs/dbraw/zinc/37/85/65/431378565.db2.gz SWVZKWPVEROYOJ-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000037369147 431846068 /nfs/dbraw/zinc/84/60/68/431846068.db2.gz IJAXSKINLRCPHB-UHFFFAOYSA-N -1 1 324.134 3.246 20 5 DGBDMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000186631618 432614576 /nfs/dbraw/zinc/61/45/76/432614576.db2.gz QVPSYBNGBJMICU-UHFFFAOYSA-N -1 1 320.370 3.154 20 5 DGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC2(CCCC2)c2ccccc21 ZINC000267621817 432836167 /nfs/dbraw/zinc/83/61/67/432836167.db2.gz DKWMFGHRFUQMCP-UHFFFAOYSA-N -1 1 311.341 3.395 20 5 DGBDMM O=C(Nc1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC000552780604 434871044 /nfs/dbraw/zinc/87/10/44/434871044.db2.gz HUMGDFSVKXVMPA-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM O=C(Nc1cccc([O-])c1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534256022 313655250 /nfs/dbraw/zinc/65/52/50/313655250.db2.gz QHQXHRHCSVDOAA-UHFFFAOYSA-N -1 1 315.260 3.173 20 5 DGBDMM COc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000540714287 313973338 /nfs/dbraw/zinc/97/33/38/313973338.db2.gz FJXPMTSGUPOOGA-UHFFFAOYSA-N -1 1 321.358 3.008 20 5 DGBDMM CCO[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000351007871 323530632 /nfs/dbraw/zinc/53/06/32/323530632.db2.gz PUHCTQYZRCYEFG-CYBMUJFWSA-N -1 1 314.301 3.099 20 5 DGBDMM Nc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000746833139 575477691 /nfs/dbraw/zinc/47/76/91/575477691.db2.gz JWATZQCRDMTXNE-UHFFFAOYSA-N -1 1 315.116 3.064 20 5 DGBDMM C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(C(=O)[O-])co1 ZINC000756306644 621626502 /nfs/dbraw/zinc/62/65/02/621626502.db2.gz LWJKSPGXHJVYEC-VZUCSPMQSA-N -1 1 316.313 3.079 20 5 DGBDMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780068651 623856779 /nfs/dbraw/zinc/85/67/79/623856779.db2.gz MPIIUKCDUVJLAW-XHDPSFHLSA-N -1 1 323.345 3.053 20 5 DGBDMM O=C(OCCSc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784218907 624456420 /nfs/dbraw/zinc/45/64/20/624456420.db2.gz YIDSUGSLUGUGMH-UHFFFAOYSA-N -1 1 319.338 3.250 20 5 DGBDMM C[C@H](C(=O)[O-])[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000826053486 628823282 /nfs/dbraw/zinc/82/32/82/628823282.db2.gz JGNHPHPNTLSLPR-HZMBPMFUSA-N -1 1 320.370 3.208 20 5 DGBDMM Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826305973 628842204 /nfs/dbraw/zinc/84/22/04/628842204.db2.gz NEIFTEWFNQKNDT-NSHDSACASA-N -1 1 324.344 3.256 20 5 DGBDMM Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826305973 628842205 /nfs/dbraw/zinc/84/22/05/628842205.db2.gz NEIFTEWFNQKNDT-NSHDSACASA-N -1 1 324.344 3.256 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cl)o1 ZINC000124935364 656260005 /nfs/dbraw/zinc/26/00/05/656260005.db2.gz YKZWXWBUBHROSY-UHFFFAOYSA-N -1 1 302.620 3.372 20 5 DGBDMM C[C@H](C(=O)Nc1cccc(F)c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC001587389563 1192396934 /nfs/dbraw/zinc/39/69/34/1192396934.db2.gz NOHLOYSCCCRHRS-QMMMGPOBSA-N -1 1 322.267 3.321 20 5 DGBDMM Cc1ccccc1Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592259950 1192606080 /nfs/dbraw/zinc/60/60/80/1192606080.db2.gz WQRNPIMTHKOVMK-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM Cc1ccccc1Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592259950 1192606083 /nfs/dbraw/zinc/60/60/83/1192606083.db2.gz WQRNPIMTHKOVMK-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001603684178 1193026281 /nfs/dbraw/zinc/02/62/81/1193026281.db2.gz UTLKZMPTUPBDEH-SNVBAGLBSA-N -1 1 316.365 3.156 20 5 DGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001603684178 1193026285 /nfs/dbraw/zinc/02/62/85/1193026285.db2.gz UTLKZMPTUPBDEH-SNVBAGLBSA-N -1 1 316.365 3.156 20 5 DGBDMM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001603847354 1193034473 /nfs/dbraw/zinc/03/44/73/1193034473.db2.gz YHBLEKRPMCWWIJ-BRPSZJMVSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001603847354 1193034475 /nfs/dbraw/zinc/03/44/75/1193034475.db2.gz YHBLEKRPMCWWIJ-BRPSZJMVSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@@H](C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604001662 1193043028 /nfs/dbraw/zinc/04/30/28/1193043028.db2.gz WNXVZCNGZJMGJU-HTQZYQBOSA-N -1 1 310.383 3.073 20 5 DGBDMM CC[C@@H](C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604001662 1193043029 /nfs/dbraw/zinc/04/30/29/1193043029.db2.gz WNXVZCNGZJMGJU-HTQZYQBOSA-N -1 1 310.383 3.073 20 5 DGBDMM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c([O-])cccc1F ZINC001300488489 1180708172 /nfs/dbraw/zinc/70/81/72/1180708172.db2.gz MVDPCWJEIVQUIB-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM CCC[C@H](CC)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604144779 1193055480 /nfs/dbraw/zinc/05/54/80/1193055480.db2.gz NKBKGXUGFAJTRV-VIFPVBQESA-N -1 1 307.379 3.446 20 5 DGBDMM CCC[C@H](CC)Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604144779 1193055483 /nfs/dbraw/zinc/05/54/83/1193055483.db2.gz NKBKGXUGFAJTRV-VIFPVBQESA-N -1 1 307.379 3.446 20 5 DGBDMM CC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[O-] ZINC001440413007 1182037313 /nfs/dbraw/zinc/03/73/13/1182037313.db2.gz WADZFVRJLYUSIW-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM Cc1cc(C)cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001605647116 1193162112 /nfs/dbraw/zinc/16/21/12/1193162112.db2.gz JNVVAGIDMWUIJI-UHFFFAOYSA-N -1 1 310.317 3.135 20 5 DGBDMM Cc1cc(C)cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001605647116 1193162113 /nfs/dbraw/zinc/16/21/13/1193162113.db2.gz JNVVAGIDMWUIJI-UHFFFAOYSA-N -1 1 310.317 3.135 20 5 DGBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1[O-] ZINC001471166428 1183542451 /nfs/dbraw/zinc/54/24/51/1183542451.db2.gz JOIJLWGHTRJTRZ-UHFFFAOYSA-N -1 1 322.317 3.170 20 5 DGBDMM Cc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001607649969 1193244896 /nfs/dbraw/zinc/24/48/96/1193244896.db2.gz PHUCJGLXGZFBNZ-LBPRGKRZSA-N -1 1 314.341 3.452 20 5 DGBDMM Cc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607886922 1193265621 /nfs/dbraw/zinc/26/56/21/1193265621.db2.gz LWEIOESHHOFFDC-GFCCVEGCSA-N -1 1 314.341 3.452 20 5 DGBDMM Cc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001610494655 1193393197 /nfs/dbraw/zinc/39/31/97/1193393197.db2.gz DOMHZLNIHXBDCT-INIZCTEOSA-N -1 1 314.341 3.127 20 5 DGBDMM O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc([O-])c(F)c1F)C2 ZINC001621151466 1193809540 /nfs/dbraw/zinc/80/95/40/1193809540.db2.gz DNJLINPTKUGGFW-UHFFFAOYSA-N -1 1 306.268 3.094 20 5 DGBDMM CCSCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001636841579 1194636861 /nfs/dbraw/zinc/63/68/61/1194636861.db2.gz IJHLLZCOPLXLJA-UHFFFAOYSA-N -1 1 305.359 3.428 20 5 DGBDMM CC(C)n1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc2ccccc21 ZINC001645572588 1195194226 /nfs/dbraw/zinc/19/42/26/1195194226.db2.gz DLJWLSHPSJRYEC-UHFFFAOYSA-N -1 1 313.317 3.106 20 5 DGBDMM Cc1cnc(SCc2ccc(Cl)cc2[N+](=O)[O-])[n-]c1=O ZINC001656575218 1196051721 /nfs/dbraw/zinc/05/17/21/1196051721.db2.gz ATNGUNLERNVWLC-UHFFFAOYSA-N -1 1 311.750 3.345 20 5 DGBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001593289811 994667930 /nfs/dbraw/zinc/66/79/30/994667930.db2.gz YAVQTXJAZHWTCC-LLVKDONJSA-N -1 1 300.314 3.144 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001648847740 1081941558 /nfs/dbraw/zinc/94/15/58/1081941558.db2.gz SEIFTUKHIFJSLE-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM C[C@H](CCC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001182688377 1083780617 /nfs/dbraw/zinc/78/06/17/1083780617.db2.gz LPTXUSSRGBDWJO-LLVKDONJSA-N -1 1 321.377 3.174 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccc(Br)cn2)ccc1[O-] ZINC001210392617 1093152264 /nfs/dbraw/zinc/15/22/64/1093152264.db2.gz ILNUUEFMTDICKD-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM CCOC(=O)c1c(Nc2ccc([O-])c([N+](=O)[O-])c2)ccn1CC ZINC001210396210 1093153311 /nfs/dbraw/zinc/15/33/11/1093153311.db2.gz NPJFSRZHFJVBMM-UHFFFAOYSA-N -1 1 319.317 3.042 20 5 DGBDMM COc1ccc([N+](=O)[O-])cc1[N-]c1nc(C(C)(C)C)ns1 ZINC001210443662 1093167344 /nfs/dbraw/zinc/16/73/44/1093167344.db2.gz KQDOZVWSZPCMBG-UHFFFAOYSA-N -1 1 308.363 3.496 20 5 DGBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(Cc2cccnc2)c1 ZINC001116484537 1095575324 /nfs/dbraw/zinc/57/53/24/1095575324.db2.gz YEIVXVZZOQMVGI-UHFFFAOYSA-N -1 1 301.331 3.040 20 5 DGBDMM CCCCC(=O)[C@H](CCCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664457 1096499192 /nfs/dbraw/zinc/49/91/92/1096499192.db2.gz ONHKMSQZCJQGQF-ZDUSSCGKSA-N -1 1 310.350 3.392 20 5 DGBDMM CCC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC001228142010 1097061527 /nfs/dbraw/zinc/06/15/27/1097061527.db2.gz YCYUQBDKKZJZKZ-GFCCVEGCSA-N -1 1 319.317 3.019 20 5 DGBDMM C[C@H]1CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860903 1097205149 /nfs/dbraw/zinc/20/51/49/1097205149.db2.gz XSYHVIFVXJOKDJ-BQBZGAKWSA-N -1 1 306.240 3.282 20 5 DGBDMM COc1cccc(OC[C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229395572 1097311597 /nfs/dbraw/zinc/31/15/97/1097311597.db2.gz JNOGVUNFRPMGGC-LLVKDONJSA-N -1 1 319.313 3.155 20 5 DGBDMM CC(C)Oc1cc(COc2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC001229399868 1097312936 /nfs/dbraw/zinc/31/29/36/1097312936.db2.gz OGWGAMAHNZCNPN-UHFFFAOYSA-N -1 1 304.302 3.062 20 5 DGBDMM CC(C)Oc1cncc(COc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229400059 1097313086 /nfs/dbraw/zinc/31/30/86/1097313086.db2.gz QJLBEEJOZQXQFL-UHFFFAOYSA-N -1 1 304.302 3.062 20 5 DGBDMM O=C([O-])c1ccc(Nc2c(O)cc(F)cc2F)cc1[N+](=O)[O-] ZINC001174504314 1097753947 /nfs/dbraw/zinc/75/39/47/1097753947.db2.gz LPOUSBJJLZLOOR-UHFFFAOYSA-N -1 1 310.212 3.020 20 5 DGBDMM CC(C)[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877564 1098694184 /nfs/dbraw/zinc/69/41/84/1098694184.db2.gz OSMPDGSIJXQJPA-ZETCQYMHSA-N -1 1 304.140 3.486 20 5 DGBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC1CC=CC1 ZINC001234878520 1098694884 /nfs/dbraw/zinc/69/48/84/1098694884.db2.gz VTVWHOAHJWONEN-UHFFFAOYSA-N -1 1 300.108 3.160 20 5 DGBDMM CC(=O)c1ccnc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814039 1102218863 /nfs/dbraw/zinc/21/88/63/1102218863.db2.gz BVVFHGOAKLFWGI-UHFFFAOYSA-N -1 1 307.693 3.295 20 5 DGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212893220 1103341299 /nfs/dbraw/zinc/34/12/99/1103341299.db2.gz SAFHJNICEQEXRD-UHFFFAOYSA-N -1 1 313.298 3.250 20 5 DGBDMM CCCCc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1 ZINC001212893341 1103341620 /nfs/dbraw/zinc/34/16/20/1103341620.db2.gz ZARGAUPEADNBSB-UHFFFAOYSA-N -1 1 313.317 3.378 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc3c([nH]2)c(F)c(F)cc3F)cc1[O-] ZINC001250879991 1105599333 /nfs/dbraw/zinc/59/93/33/1105599333.db2.gz ASJFOMXYZLHFAH-UHFFFAOYSA-N -1 1 309.203 3.261 20 5 DGBDMM O=[N+]([O-])c1cccc(-c2nc3ccc4ncccc4c3[nH]2)c1[O-] ZINC001251272545 1105646907 /nfs/dbraw/zinc/64/69/07/1105646907.db2.gz YIVVLGYUWFHOLI-UHFFFAOYSA-N -1 1 306.281 3.392 20 5 DGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(N4CCCC4)ccc3[nH]2)c1 ZINC001251389226 1105656167 /nfs/dbraw/zinc/65/61/67/1105656167.db2.gz CSTFADPAOLTDMA-UHFFFAOYSA-N -1 1 324.340 3.444 20 5 DGBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000082192621 185174312 /nfs/dbraw/zinc/17/43/12/185174312.db2.gz PAEOCRFMNXGTIC-UHFFFAOYSA-N -1 1 306.705 3.135 20 5 DGBDMM CCCCc1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000159146888 197331556 /nfs/dbraw/zinc/33/15/56/197331556.db2.gz LVHZBVSHDNJYDT-UHFFFAOYSA-N -1 1 324.337 3.180 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342903677 254072776 /nfs/dbraw/zinc/07/27/76/254072776.db2.gz LIZYSAJBRNOGGF-UHFFFAOYSA-N -1 1 315.260 3.173 20 5 DGBDMM O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343445794 254144507 /nfs/dbraw/zinc/14/45/07/254144507.db2.gz FXARPQUUKCLFIS-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM C[C@@H]1CSc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000597842964 400679606 /nfs/dbraw/zinc/67/96/06/400679606.db2.gz SDDKAVIZQFFCRH-JTQLQIEISA-N -1 1 317.370 3.312 20 5 DGBDMM O=C(Nc1ccc(Cl)c2ncccc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000604075907 400748017 /nfs/dbraw/zinc/74/80/17/400748017.db2.gz BCHVLSAYHZXEFX-UHFFFAOYSA-N -1 1 316.704 3.377 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000172181643 400815277 /nfs/dbraw/zinc/81/52/77/400815277.db2.gz IQBUVQLEGBSHQU-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(F)c1 ZINC000055558059 400877737 /nfs/dbraw/zinc/87/77/37/400877737.db2.gz MVUKLUOGWDQETH-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1c(Br)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000227870720 165388812 /nfs/dbraw/zinc/38/88/12/165388812.db2.gz KALLVHXEPVMTAY-UHFFFAOYSA-N -1 1 324.134 3.246 20 5 DGBDMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445174141 275564782 /nfs/dbraw/zinc/56/47/82/275564782.db2.gz QQKNELALQOUKHH-AAEUAGOBSA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C ZINC000112333388 431267929 /nfs/dbraw/zinc/26/79/29/431267929.db2.gz MJPBYJGGPXWDHK-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030530012 431741642 /nfs/dbraw/zinc/74/16/42/431741642.db2.gz AEDGGRLODBJYLU-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032587684 431784182 /nfs/dbraw/zinc/78/41/82/431784182.db2.gz YITAPXVEKYVPPW-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000192713557 432403461 /nfs/dbraw/zinc/40/34/61/432403461.db2.gz ZEWBQOPVUIQRFH-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM CC(C)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263482544 432548679 /nfs/dbraw/zinc/54/86/79/432548679.db2.gz GQGNVNPIDXVQTP-INIZCTEOSA-N -1 1 306.362 3.015 20 5 DGBDMM CC(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263382029 432537552 /nfs/dbraw/zinc/53/75/52/432537552.db2.gz BWEQZWULNVICHI-ZDUSSCGKSA-N -1 1 306.362 3.015 20 5 DGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C(C)C)s2)c1F ZINC000277558639 432860605 /nfs/dbraw/zinc/86/06/05/432860605.db2.gz WXDKJLPKFCGWGJ-UHFFFAOYSA-N -1 1 324.337 3.270 20 5 DGBDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000318444726 434207520 /nfs/dbraw/zinc/20/75/20/434207520.db2.gz FADBPDHTCIGUEE-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C ZINC000578276771 435072662 /nfs/dbraw/zinc/07/26/62/435072662.db2.gz ANKHUHJUPQFXTD-UHFFFAOYSA-N -1 1 320.370 3.154 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000542731501 314093566 /nfs/dbraw/zinc/09/35/66/314093566.db2.gz GZVPJFGYCGPFDH-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000546394075 314303978 /nfs/dbraw/zinc/30/39/78/314303978.db2.gz LLGNOHUZYMDQAX-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445174143 527826441 /nfs/dbraw/zinc/82/64/41/527826441.db2.gz QQKNELALQOUKHH-WCQYABFASA-N -1 1 321.377 3.030 20 5 DGBDMM C[C@@H]1CNc2c([N-]c3nc4ccccc4cc3[N+](=O)[O-])cnn2C1 ZINC000894951807 618503480 /nfs/dbraw/zinc/50/34/80/618503480.db2.gz VQJRNWLDTONHHB-SNVBAGLBSA-N -1 1 324.344 3.145 20 5 DGBDMM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780068648 623857198 /nfs/dbraw/zinc/85/71/98/623857198.db2.gz MPIIUKCDUVJLAW-ABAIWWIYSA-N -1 1 323.345 3.053 20 5 DGBDMM CC[C@H](C)n1ncc([N-]c2nc3ccccn3c2[N+](=O)[O-])c1C ZINC000790809440 625701595 /nfs/dbraw/zinc/70/15/95/625701595.db2.gz YHMNAHVZHAEJDD-JTQLQIEISA-N -1 1 314.349 3.462 20 5 DGBDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000783262444 624332294 /nfs/dbraw/zinc/33/22/94/624332294.db2.gz DKUSVBSLAKBLAN-QMMMGPOBSA-N -1 1 323.251 3.497 20 5 DGBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1nc(Cl)cs1 ZINC000790892410 625712961 /nfs/dbraw/zinc/71/29/61/625712961.db2.gz WHRPDOYSOPGUTI-UHFFFAOYSA-N -1 1 301.686 3.096 20 5 DGBDMM O=C([N-]c1ccon1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813505781 627494493 /nfs/dbraw/zinc/49/44/93/627494493.db2.gz ZQUJFWSTJFHOIO-UHFFFAOYSA-N -1 1 302.073 3.142 20 5 DGBDMM O=C(OCC[C@@H]1CC1(Cl)Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000820447830 628259691 /nfs/dbraw/zinc/25/96/91/628259691.db2.gz YWVOFMSJNJQFOM-MRVPVSSYSA-N -1 1 320.128 3.041 20 5 DGBDMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000827718428 628985585 /nfs/dbraw/zinc/98/55/85/628985585.db2.gz RUKAWXSIYDPCSW-BMIGLBTASA-N -1 1 318.304 3.210 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)ccc1F ZINC000066961003 656534092 /nfs/dbraw/zinc/53/40/92/656534092.db2.gz SBZLHOHKKCDKHM-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM CC[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590507951 1192516083 /nfs/dbraw/zinc/51/60/83/1192516083.db2.gz IVEXLJIMDJAWBE-GHMZBOCLSA-N -1 1 316.365 3.156 20 5 DGBDMM CC[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590507951 1192516086 /nfs/dbraw/zinc/51/60/86/1192516086.db2.gz IVEXLJIMDJAWBE-GHMZBOCLSA-N -1 1 316.365 3.156 20 5 DGBDMM CC[C@@H]1CCCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590513528 1192517380 /nfs/dbraw/zinc/51/73/80/1192517380.db2.gz WAYMJFXGYKGERV-BDAKNGLRSA-N -1 1 322.394 3.217 20 5 DGBDMM CC[C@@H]1CCCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590513528 1192517384 /nfs/dbraw/zinc/51/73/84/1192517384.db2.gz WAYMJFXGYKGERV-BDAKNGLRSA-N -1 1 322.394 3.217 20 5 DGBDMM Cc1cc(C)cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001591951003 1192581249 /nfs/dbraw/zinc/58/12/49/1192581249.db2.gz CQVYJBZGZOPFQY-UHFFFAOYSA-N -1 1 324.344 3.004 20 5 DGBDMM Cc1cc(C)cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001591951003 1192581252 /nfs/dbraw/zinc/58/12/52/1192581252.db2.gz CQVYJBZGZOPFQY-UHFFFAOYSA-N -1 1 324.344 3.004 20 5 DGBDMM Cc1ccc(F)cc1Oc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592173167 1192598584 /nfs/dbraw/zinc/59/85/84/1192598584.db2.gz AGMYWIHJAJUTGV-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM Cc1ccc(F)cc1Oc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592173167 1192598587 /nfs/dbraw/zinc/59/85/87/1192598587.db2.gz AGMYWIHJAJUTGV-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM Cc1ccccc1CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600580630 1192878529 /nfs/dbraw/zinc/87/85/29/1192878529.db2.gz NRBSZNFKUHGSHM-UHFFFAOYSA-N -1 1 314.341 3.233 20 5 DGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(F)(C3CC3)CC2)c1 ZINC001602404826 1192977226 /nfs/dbraw/zinc/97/72/26/1192977226.db2.gz HBKZMXXWPYCHAB-UHFFFAOYSA-N -1 1 322.336 3.007 20 5 DGBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)ccc1[O-] ZINC001450717511 1182256842 /nfs/dbraw/zinc/25/68/42/1182256842.db2.gz UJBYYWLJPVAZRX-UHFFFAOYSA-N -1 1 320.276 3.091 20 5 DGBDMM CC(C)CC[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001466034757 1183183627 /nfs/dbraw/zinc/18/36/27/1183183627.db2.gz QOFOIDVBQQCVJE-ZDUSSCGKSA-N -1 1 321.377 3.126 20 5 DGBDMM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001607423658 1193230234 /nfs/dbraw/zinc/23/02/34/1193230234.db2.gz WTRFBLONUCUBHO-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(C)c1 ZINC001609424639 1193339225 /nfs/dbraw/zinc/33/92/25/1193339225.db2.gz YFPPEGTUVIHPBH-UHFFFAOYSA-N -1 1 324.344 3.004 20 5 DGBDMM Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(C)c1 ZINC001609424639 1193339228 /nfs/dbraw/zinc/33/92/28/1193339228.db2.gz YFPPEGTUVIHPBH-UHFFFAOYSA-N -1 1 324.344 3.004 20 5 DGBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1scnc1C(F)F ZINC001534892085 1187926324 /nfs/dbraw/zinc/92/63/24/1187926324.db2.gz AKRVLCHWLKDXKV-UHFFFAOYSA-N -1 1 317.248 3.380 20 5 DGBDMM COc1cccc(C(=O)[N-]c2cc(C(C)(C)F)on2)c1[N+](=O)[O-] ZINC001538242009 1188126855 /nfs/dbraw/zinc/12/68/55/1188126855.db2.gz QWNDYOLBGXSHDR-UHFFFAOYSA-N -1 1 323.280 3.048 20 5 DGBDMM Cc1cc(Cl)ccc1OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001623382326 1193930604 /nfs/dbraw/zinc/93/06/04/1193930604.db2.gz JNPXEVQIJWKNKN-UHFFFAOYSA-N -1 1 307.689 3.481 20 5 DGBDMM Cc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001623661310 1193943770 /nfs/dbraw/zinc/94/37/70/1193943770.db2.gz YKDBKJZJGXQFFB-UHFFFAOYSA-N -1 1 320.732 3.443 20 5 DGBDMM Cc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC001152085961 1087896436 /nfs/dbraw/zinc/89/64/36/1087896436.db2.gz NTDXQKOQOALVMD-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CCc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1[N+](=O)[O-] ZINC001140652343 1091944564 /nfs/dbraw/zinc/94/45/64/1091944564.db2.gz JYBBBBNHEPYKRA-UHFFFAOYSA-N -1 1 322.267 3.393 20 5 DGBDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc([O-])c(F)cc1F ZINC001141831837 1092346009 /nfs/dbraw/zinc/34/60/09/1092346009.db2.gz XNHWFYGYLIOJGD-ZZXKWVIFSA-N -1 1 320.251 3.231 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cccnc2N2CCCC2)ccc1[O-] ZINC001210392659 1093151702 /nfs/dbraw/zinc/15/17/02/1093151702.db2.gz GNXCTZSMRXPTAB-UHFFFAOYSA-N -1 1 300.318 3.039 20 5 DGBDMM COC(=O)c1ccc([O-])c(Nc2c(F)ccc([N+](=O)[O-])c2F)c1 ZINC001215294536 1093952579 /nfs/dbraw/zinc/95/25/79/1093952579.db2.gz BRUMBBNMEAFDBZ-UHFFFAOYSA-N -1 1 324.239 3.109 20 5 DGBDMM O=C(CSc1ccc([N+](=O)[O-])cc1F)c1ccc([O-])cc1O ZINC001116661396 1095627997 /nfs/dbraw/zinc/62/79/97/1095627997.db2.gz BKDLLPUOJCSBKO-UHFFFAOYSA-N -1 1 323.301 3.120 20 5 DGBDMM O=c1cc[n-]c(O[C@@H]2CCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC001225664142 1096498037 /nfs/dbraw/zinc/49/80/37/1096498037.db2.gz KPMJXCWDBSVONG-GFCCVEGCSA-N -1 1 306.705 3.415 20 5 DGBDMM Cc1cc(COc2[n-]ccc(=O)c2[N+](=O)[O-])ccc1OC(C)C ZINC001225664771 1096499066 /nfs/dbraw/zinc/49/90/66/1096499066.db2.gz SZZABJWCFJSHKT-UHFFFAOYSA-N -1 1 318.329 3.370 20 5 DGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228859996 1097205108 /nfs/dbraw/zinc/20/51/08/1097205108.db2.gz QFZSASUYDIOCHV-VKHMYHEASA-N -1 1 320.145 3.044 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1C=CCCC1 ZINC001228859088 1097205623 /nfs/dbraw/zinc/20/56/23/1097205623.db2.gz IMEKVJSVTJFOMV-ZETCQYMHSA-N -1 1 304.224 3.202 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCCC[C@@H]1F ZINC001228860532 1097205739 /nfs/dbraw/zinc/20/57/39/1097205739.db2.gz VPKVXZXYVLIJKO-POYBYMJQSA-N -1 1 324.230 3.374 20 5 DGBDMM Cc1nc(O[C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375834 1097309069 /nfs/dbraw/zinc/30/90/69/1097309069.db2.gz NIFHXSQLQFVEMZ-SSDOTTSWSA-N -1 1 309.709 3.192 20 5 DGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001229395755 1097312180 /nfs/dbraw/zinc/31/21/80/1097312180.db2.gz LBXFWCSTHNPHNO-VIFPVBQESA-N -1 1 304.258 3.349 20 5 DGBDMM CC(C)Oc1ccc(COc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001229396006 1097312665 /nfs/dbraw/zinc/31/26/65/1097312665.db2.gz OVBBJHPJNRJVKO-UHFFFAOYSA-N -1 1 304.302 3.062 20 5 DGBDMM Cc1cc([O-])c(OC2CC(C)(C)N(O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001229749521 1097376357 /nfs/dbraw/zinc/37/63/57/1097376357.db2.gz CBGSGWUERZALFZ-UHFFFAOYSA-N -1 1 324.377 3.398 20 5 DGBDMM Cc1cc([O-])c(O[C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC001229751657 1097376691 /nfs/dbraw/zinc/37/66/91/1097376691.db2.gz XOJBSZLMETYYMN-CQSZACIVSA-N -1 1 300.314 3.460 20 5 DGBDMM Cc1cc([O-])c(OC[C@H]2CCc3ccccc3O2)cc1[N+](=O)[O-] ZINC001229749937 1097376706 /nfs/dbraw/zinc/37/67/06/1097376706.db2.gz IQNTZUSKWOTLQU-CYBMUJFWSA-N -1 1 315.325 3.381 20 5 DGBDMM CC(=O)[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1 ZINC001229754434 1097377727 /nfs/dbraw/zinc/37/77/27/1097377727.db2.gz PMNJFWJPDVHLJN-MRXNPFEDSA-N -1 1 301.298 3.318 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCCc3ccccc32)n1 ZINC001231259576 1097705895 /nfs/dbraw/zinc/70/58/95/1097705895.db2.gz OJOIHJRYRRKENX-AWEZNQCLSA-N -1 1 300.314 3.460 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001231263947 1097707138 /nfs/dbraw/zinc/70/71/38/1097707138.db2.gz NUVVXJZGLCBAGM-SECBINFHSA-N -1 1 319.273 3.052 20 5 DGBDMM O=C([O-])c1ccc(Nc2ccc(F)c(F)c2O)cc1[N+](=O)[O-] ZINC001174504866 1097754049 /nfs/dbraw/zinc/75/40/49/1097754049.db2.gz ITQFRVZRONEOCQ-UHFFFAOYSA-N -1 1 310.212 3.020 20 5 DGBDMM Cc1ncoc1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001178330447 1098783132 /nfs/dbraw/zinc/78/31/32/1098783132.db2.gz XFEQUHYYQQTYOR-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM O=S(=O)([N-]c1cccc2nc3ccccc3nc12)C1CCC1 ZINC001188138152 1099694432 /nfs/dbraw/zinc/69/44/32/1099694432.db2.gz QRPPPLIARBOGJT-UHFFFAOYSA-N -1 1 313.382 3.077 20 5 DGBDMM COc1cc(C(C)=O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201233034 1102525147 /nfs/dbraw/zinc/52/51/47/1102525147.db2.gz XELMYIFQVODEPS-UHFFFAOYSA-N -1 1 320.276 3.394 20 5 DGBDMM COC(=O)c1scnc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248599032 1105133932 /nfs/dbraw/zinc/13/39/32/1105133932.db2.gz VIQVAPHCWXHYLX-UHFFFAOYSA-N -1 1 313.722 3.235 20 5 DGBDMM CSc1nc(Nc2ccc([N+](=O)[O-])cc2Cl)cc(=O)[n-]1 ZINC001248594881 1105134359 /nfs/dbraw/zinc/13/43/59/1105134359.db2.gz XVOJSCGRIZRZBO-UHFFFAOYSA-N -1 1 312.738 3.209 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1-c1nc2c([nH]1)c(F)c(F)cc2F ZINC001250854088 1105594631 /nfs/dbraw/zinc/59/46/31/1105594631.db2.gz OFNLEJHTPXPXLF-UHFFFAOYSA-N -1 1 309.203 3.261 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(-c2nc3c([nH]2)c(F)c(F)cc3F)c1 ZINC001251045594 1105623857 /nfs/dbraw/zinc/62/38/57/1105623857.db2.gz LZWYIAWKIRJMNZ-UHFFFAOYSA-N -1 1 309.203 3.261 20 5 DGBDMM CCn1c2ccc(F)cc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251390028 1105655753 /nfs/dbraw/zinc/65/57/53/1105655753.db2.gz XRKDPHPPESJFFJ-UHFFFAOYSA-N -1 1 301.277 3.476 20 5 DGBDMM CCc1ccc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000129375643 432005148 /nfs/dbraw/zinc/00/51/48/432005148.db2.gz UDWHEINVDAMKLE-UHFFFAOYSA-N -1 1 304.277 3.254 20 5 DGBDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000088717301 185263246 /nfs/dbraw/zinc/26/32/46/185263246.db2.gz OOAOBXMCMXHTLT-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1c([N-]S(=O)(=O)c2cccc(F)c2C)cccc1[N+](=O)[O-] ZINC000135678955 432132571 /nfs/dbraw/zinc/13/25/71/432132571.db2.gz RNDYUSNHECSBLQ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000153674516 284685059 /nfs/dbraw/zinc/68/50/59/284685059.db2.gz RHYMNNRHABZQCT-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000191565463 284781326 /nfs/dbraw/zinc/78/13/26/284781326.db2.gz MJHOFRGJBGEGIU-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc([O-])c1F ZINC000254998881 285118356 /nfs/dbraw/zinc/11/83/56/285118356.db2.gz JIDYBRSEXVWKCZ-FPLPWBNLSA-N -1 1 302.261 3.091 20 5 DGBDMM Cc1cc([N-]c2c(Cl)cncc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000596191608 400346576 /nfs/dbraw/zinc/34/65/76/400346576.db2.gz YZNQMNOSIHGJJQ-SECBINFHSA-N -1 1 321.768 3.285 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000032585519 400369553 /nfs/dbraw/zinc/36/95/53/400369553.db2.gz WEMJMBMRSBPIJW-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000357975683 285933923 /nfs/dbraw/zinc/93/39/23/285933923.db2.gz BDLLSPJRMBHAND-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C)c1 ZINC000063447328 401192607 /nfs/dbraw/zinc/19/26/07/401192607.db2.gz GXPVOWVTDILQHH-UHFFFAOYSA-N -1 1 307.331 3.174 20 5 DGBDMM CCc1nc(SCc2c(F)cccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000594904824 401183798 /nfs/dbraw/zinc/18/37/98/401183798.db2.gz DEAMFEIQFANNRU-UHFFFAOYSA-N -1 1 323.349 3.393 20 5 DGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000014256192 431588584 /nfs/dbraw/zinc/58/85/84/431588584.db2.gz GJZWUGFTKFBOBL-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000032585503 431784416 /nfs/dbraw/zinc/78/44/16/431784416.db2.gz GLBDCCSMFOCSTM-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032585321 431785487 /nfs/dbraw/zinc/78/54/87/431785487.db2.gz DTORWPURUOAWRY-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1nn(-c2ccccc2)cc1[N-]c1ncc([N+](=O)[O-])s1 ZINC000192525803 432383788 /nfs/dbraw/zinc/38/37/88/432383788.db2.gz UQVJFMFFFMFIDW-UHFFFAOYSA-N -1 1 301.331 3.289 20 5 DGBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1c(C)noc1CC ZINC000280227831 433018895 /nfs/dbraw/zinc/01/88/95/433018895.db2.gz VXEUGVWAUDQOKU-UHFFFAOYSA-N -1 1 319.317 3.105 20 5 DGBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1C(CC)CC ZINC000361261760 433067709 /nfs/dbraw/zinc/06/77/09/433067709.db2.gz RADAQYYJSSKDOV-UHFFFAOYSA-N -1 1 319.365 3.295 20 5 DGBDMM O=C(Nc1scnc1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000341784648 433273496 /nfs/dbraw/zinc/27/34/96/433273496.db2.gz BFZBEUQVHWQQEW-UHFFFAOYSA-N -1 1 314.326 3.299 20 5 DGBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1[O-] ZINC000436518153 433989773 /nfs/dbraw/zinc/98/97/73/433989773.db2.gz XMHFZDYJVLYVFF-UHFFFAOYSA-N -1 1 322.320 3.384 20 5 DGBDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000320229756 434236808 /nfs/dbraw/zinc/23/68/08/434236808.db2.gz SREJZASCTLHEOM-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000439233858 434578599 /nfs/dbraw/zinc/57/85/99/434578599.db2.gz HOPOBHJVRBTYTM-UHFFFAOYSA-N -1 1 303.318 3.313 20 5 DGBDMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000445476560 434805270 /nfs/dbraw/zinc/80/52/70/434805270.db2.gz DYDPCHRRWIYQCZ-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000516528999 435536269 /nfs/dbraw/zinc/53/62/69/435536269.db2.gz ITPNBBZBLLCEDW-UHFFFAOYSA-N -1 1 303.318 3.271 20 5 DGBDMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000544555814 314198652 /nfs/dbraw/zinc/19/86/52/314198652.db2.gz MVSZXGKMLLZLGH-QMMMGPOBSA-N -1 1 322.267 3.321 20 5 DGBDMM CCCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000545663002 314261925 /nfs/dbraw/zinc/26/19/25/314261925.db2.gz GVMONLZGHJUONN-UHFFFAOYSA-N -1 1 314.301 3.429 20 5 DGBDMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000566309104 315334012 /nfs/dbraw/zinc/33/40/12/315334012.db2.gz RVNMULNVLMMMDA-LBPRGKRZSA-N -1 1 304.343 3.054 20 5 DGBDMM Cc1cccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000186631692 323407036 /nfs/dbraw/zinc/40/70/36/323407036.db2.gz RVVBOJIDUUWWTB-UHFFFAOYSA-N -1 1 320.370 3.154 20 5 DGBDMM C[C@H](CCC1CCCCC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445004030 533828637 /nfs/dbraw/zinc/82/86/37/533828637.db2.gz DRBPKFADNZHSTP-LLVKDONJSA-N -1 1 321.377 3.174 20 5 DGBDMM CC(C)(NCc1ccc(C(=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC000903689477 619795860 /nfs/dbraw/zinc/79/58/60/619795860.db2.gz HXFOHKFMRSFYMF-UHFFFAOYSA-N -1 1 320.370 3.379 20 5 DGBDMM COc1cnc(C=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c1=O ZINC000905077254 619971130 /nfs/dbraw/zinc/97/11/30/619971130.db2.gz TYHWYUCJMCBPNJ-FNORWQNLSA-N -1 1 315.329 3.393 20 5 DGBDMM COc1cnc(C=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c1=O ZINC000905077253 619971264 /nfs/dbraw/zinc/97/12/64/619971264.db2.gz TYHWYUCJMCBPNJ-ALCCZGGFSA-N -1 1 315.329 3.393 20 5 DGBDMM O=C(OCc1ccc(Cl)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769046685 622494816 /nfs/dbraw/zinc/49/48/16/622494816.db2.gz HCVCQKNPTJZXNZ-UHFFFAOYSA-N -1 1 313.718 3.372 20 5 DGBDMM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000871215166 622572454 /nfs/dbraw/zinc/57/24/54/622572454.db2.gz QPJNZVGKNSANBA-SECBINFHSA-N -1 1 320.267 3.089 20 5 DGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780075722 623858677 /nfs/dbraw/zinc/85/86/77/623858677.db2.gz LNQZFPTZVNLMIP-SECBINFHSA-N -1 1 305.261 3.358 20 5 DGBDMM CC(C)(C)OCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000928393398 628147792 /nfs/dbraw/zinc/14/77/92/628147792.db2.gz KWWVZKUQUMKPCF-UHFFFAOYSA-N -1 1 317.345 3.490 20 5 DGBDMM C[C@]1(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1(Cl)Cl ZINC000834875740 629795240 /nfs/dbraw/zinc/79/52/40/629795240.db2.gz AQEDHESTUNXXJF-JTQLQIEISA-N -1 1 317.132 3.099 20 5 DGBDMM CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000932167113 661543579 /nfs/dbraw/zinc/54/35/79/661543579.db2.gz HSHPVQKHAFYBLS-CYBMUJFWSA-N -1 1 308.378 3.080 20 5 DGBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CCCC1 ZINC001576998156 1191879013 /nfs/dbraw/zinc/87/90/13/1191879013.db2.gz AZKCDYIKKAKKQI-VIFPVBQESA-N -1 1 322.394 3.217 20 5 DGBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CCCC1 ZINC001576998156 1191879016 /nfs/dbraw/zinc/87/90/16/1191879016.db2.gz AZKCDYIKKAKKQI-VIFPVBQESA-N -1 1 322.394 3.217 20 5 DGBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccsc1 ZINC001589980098 1192479991 /nfs/dbraw/zinc/47/99/91/1192479991.db2.gz HNLYTPSNPUXZNA-ZCFIWIBFSA-N -1 1 322.375 3.071 20 5 DGBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccsc1 ZINC001589980098 1192479992 /nfs/dbraw/zinc/47/99/92/1192479992.db2.gz HNLYTPSNPUXZNA-ZCFIWIBFSA-N -1 1 322.375 3.071 20 5 DGBDMM Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC001592136277 1192594908 /nfs/dbraw/zinc/59/49/08/1192594908.db2.gz ZQMSTCYIJFZUAA-LLVKDONJSA-N -1 1 324.344 3.256 20 5 DGBDMM Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC001592136277 1192594912 /nfs/dbraw/zinc/59/49/12/1192594912.db2.gz ZQMSTCYIJFZUAA-LLVKDONJSA-N -1 1 324.344 3.256 20 5 DGBDMM O=C([N-]c1ccc(Cl)c([N+](=O)[O-])c1)c1ocnc1C(F)F ZINC001351326415 1180199852 /nfs/dbraw/zinc/19/98/52/1180199852.db2.gz HSPGNFDXWIHUJT-UHFFFAOYSA-N -1 1 317.635 3.426 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1SC1CCCCC1 ZINC001607077136 1193211174 /nfs/dbraw/zinc/21/11/74/1193211174.db2.gz HNVVCXAWMQPDKY-UHFFFAOYSA-N -1 1 323.353 3.339 20 5 DGBDMM CCc1cccc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001609253176 1193333057 /nfs/dbraw/zinc/33/30/57/1193333057.db2.gz URTAKHFMKULXCL-UHFFFAOYSA-N -1 1 310.317 3.081 20 5 DGBDMM CCCCC1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001610085191 1193375832 /nfs/dbraw/zinc/37/58/32/1193375832.db2.gz IFARATCGCZLJEQ-UHFFFAOYSA-N -1 1 321.377 3.174 20 5 DGBDMM C[C@H]1CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)C1 ZINC001575971620 1191520360 /nfs/dbraw/zinc/52/03/60/1191520360.db2.gz ZWUYNUXPKGPENA-NXEZZACHSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@H]1CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)C1 ZINC001575971620 1191520365 /nfs/dbraw/zinc/52/03/65/1191520365.db2.gz ZWUYNUXPKGPENA-NXEZZACHSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001575971622 1191521375 /nfs/dbraw/zinc/52/13/75/1191521375.db2.gz ZWUYNUXPKGPENA-UWVGGRQHSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001575971622 1191521385 /nfs/dbraw/zinc/52/13/85/1191521385.db2.gz ZWUYNUXPKGPENA-UWVGGRQHSA-N -1 1 316.365 3.012 20 5 DGBDMM CC(C)Oc1ncc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001627417305 1194127385 /nfs/dbraw/zinc/12/73/85/1194127385.db2.gz LDQCHAYFSWIBSD-UHFFFAOYSA-N -1 1 324.724 3.011 20 5 DGBDMM CC[C@@H]1CCCc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC001648273137 1195288000 /nfs/dbraw/zinc/28/80/00/1195288000.db2.gz WJWNHOLWDGDOOX-MRVPVSSYSA-N -1 1 320.374 3.462 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001650899604 1195393968 /nfs/dbraw/zinc/39/39/68/1195393968.db2.gz LNEPYABAYBNRCL-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001594216384 959335672 /nfs/dbraw/zinc/33/56/72/959335672.db2.gz UJFGGURLXGPWDX-BXKDBHETSA-N -1 1 312.753 3.076 20 5 DGBDMM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001599901525 984839533 /nfs/dbraw/zinc/83/95/33/984839533.db2.gz KWFHBUHOJBWXMR-JTQLQIEISA-N -1 1 318.304 3.283 20 5 DGBDMM O=[N+]([O-])c1c(NCc2ccc([O-])c(Cl)c2)nc2ccccn21 ZINC001164060373 1090330509 /nfs/dbraw/zinc/33/05/09/1090330509.db2.gz BVQHDUMKHXZKMF-UHFFFAOYSA-N -1 1 318.720 3.214 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC001295980204 1091673299 /nfs/dbraw/zinc/67/32/99/1091673299.db2.gz WDUGZBKNJVKRSW-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccnn2-c2cccc(F)c2)ccc1[O-] ZINC001210396419 1093153544 /nfs/dbraw/zinc/15/35/44/1093153544.db2.gz RDAREBQUBCPVFM-UHFFFAOYSA-N -1 1 314.276 3.369 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnc(OCC3CCC3)nc2)ccc1[O-] ZINC001210396646 1093153551 /nfs/dbraw/zinc/15/35/51/1093153551.db2.gz VVVZVSTUWUNCAD-UHFFFAOYSA-N -1 1 316.317 3.013 20 5 DGBDMM COc1ccc([C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C(C)C)cc1 ZINC001225663231 1096497946 /nfs/dbraw/zinc/49/79/46/1096497946.db2.gz AAXCWTDDTTUXOK-OAHLLOKOSA-N -1 1 318.329 3.480 20 5 DGBDMM CC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1C ZINC001228139899 1097060390 /nfs/dbraw/zinc/06/03/90/1097060390.db2.gz CFQDZIDLHNDKCN-LLVKDONJSA-N -1 1 307.281 3.068 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCCC[C@H]1F ZINC001228860531 1097205636 /nfs/dbraw/zinc/20/56/36/1097205636.db2.gz VPKVXZXYVLIJKO-HTRCEHHLSA-N -1 1 324.230 3.374 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC001229395943 1097311735 /nfs/dbraw/zinc/31/17/35/1097311735.db2.gz NOYVIANRGWBNCZ-OAHLLOKOSA-N -1 1 314.341 3.348 20 5 DGBDMM Cc1ccc(OC[C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229394977 1097311799 /nfs/dbraw/zinc/31/17/99/1097311799.db2.gz DDDPPACPTLMIAL-GFCCVEGCSA-N -1 1 303.314 3.455 20 5 DGBDMM COc1ccc(OC[C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229396647 1097312638 /nfs/dbraw/zinc/31/26/38/1097312638.db2.gz VHQOXDFRAIWGPB-LLVKDONJSA-N -1 1 319.313 3.155 20 5 DGBDMM Cc1cc([O-])c(OC(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC001229751214 1097376409 /nfs/dbraw/zinc/37/64/09/1097376409.db2.gz SPMYNWYCXGCRAN-UHFFFAOYSA-N -1 1 319.157 3.481 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001231264822 1097707928 /nfs/dbraw/zinc/70/79/28/1097707928.db2.gz VGOOIXOJBAJEDB-VIFPVBQESA-N -1 1 319.273 3.052 20 5 DGBDMM CC[C@@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750265 1098659600 /nfs/dbraw/zinc/65/96/00/1098659600.db2.gz IRHBFBMRFGNVBW-MRVPVSSYSA-N -1 1 316.309 3.240 20 5 DGBDMM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc([O-])c(Cl)c1 ZINC001187510018 1099527041 /nfs/dbraw/zinc/52/70/41/1099527041.db2.gz SFIQVKNDPCNMCJ-UHFFFAOYSA-N -1 1 323.692 3.474 20 5 DGBDMM CC(=O)c1oc2cccnc2c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819373 1102211232 /nfs/dbraw/zinc/21/12/32/1102211232.db2.gz PRNHXYBRHGJYLO-UHFFFAOYSA-N -1 1 313.269 3.388 20 5 DGBDMM COc1nscc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001303231124 1111137160 /nfs/dbraw/zinc/13/71/60/1111137160.db2.gz CKBKOCNNUCRSSU-UHFFFAOYSA-N -1 1 319.298 3.058 20 5 DGBDMM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306857270 1111244753 /nfs/dbraw/zinc/24/47/53/1111244753.db2.gz GOZSVXKJZUJNMB-NWDGAFQWSA-N -1 1 321.377 3.032 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306886828 1111247127 /nfs/dbraw/zinc/24/71/27/1111247127.db2.gz LBJGQTGDIXCLMK-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000088718649 185263449 /nfs/dbraw/zinc/26/34/49/185263449.db2.gz PZRXXBFWLXOTPX-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478408 239420444 /nfs/dbraw/zinc/42/04/44/239420444.db2.gz GWXOBOXHFMUIHI-UHFFFAOYSA-N -1 1 319.223 3.296 20 5 DGBDMM CCCN(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000600762150 400146104 /nfs/dbraw/zinc/14/61/04/400146104.db2.gz OKHSJEODBPDBEH-UHFFFAOYSA-N -1 1 302.334 3.021 20 5 DGBDMM CC(C)n1ncc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000609764141 400189996 /nfs/dbraw/zinc/18/99/96/400189996.db2.gz SEMXFXOMADTOOW-UHFFFAOYSA-N -1 1 313.317 3.106 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000595782914 400257961 /nfs/dbraw/zinc/25/79/61/400257961.db2.gz JWRVMGHNJAASIQ-QGZVFWFLSA-N -1 1 320.389 3.082 20 5 DGBDMM CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000030529837 400327683 /nfs/dbraw/zinc/32/76/83/400327683.db2.gz YJBZYAWYCQOIFZ-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4ccccc4n3)no2)[n-]1 ZINC000612893698 400623400 /nfs/dbraw/zinc/62/34/00/400623400.db2.gz JRGVIUKXCIUYLZ-UHFFFAOYSA-N -1 1 321.296 3.112 20 5 DGBDMM COc1cccc([C@H](C)c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000612917579 400625993 /nfs/dbraw/zinc/62/59/93/400625993.db2.gz ODBQXAFLEWEESG-VIFPVBQESA-N -1 1 314.301 3.133 20 5 DGBDMM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2S1 ZINC000604076404 400747162 /nfs/dbraw/zinc/74/71/62/400747162.db2.gz NJEDAYGIYBWSIL-SNVBAGLBSA-N -1 1 317.370 3.454 20 5 DGBDMM Cc1cc(Cl)cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1[O-] ZINC000181266694 228360342 /nfs/dbraw/zinc/36/03/42/228360342.db2.gz PAWUZHABYIROOQ-UHFFFAOYSA-N -1 1 321.720 3.097 20 5 DGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(Cl)c1 ZINC000070333801 431250280 /nfs/dbraw/zinc/25/02/80/431250280.db2.gz GMRRCJIYOMUHCO-UHFFFAOYSA-N -1 1 306.705 3.135 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000192731479 432406516 /nfs/dbraw/zinc/40/65/16/432406516.db2.gz CTHBAOWDXDLCFN-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cn1c(-c2nc(-c3ccc([O-])cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445448648 434801070 /nfs/dbraw/zinc/80/10/70/434801070.db2.gz SLKOSAAFBAYYAE-UHFFFAOYSA-N -1 1 320.692 3.009 20 5 DGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000485074333 435559359 /nfs/dbraw/zinc/55/93/59/435559359.db2.gz BBQKITLEGFFXCS-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCOc1cc(CSc2ncc(C)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000564586083 315184591 /nfs/dbraw/zinc/18/45/91/315184591.db2.gz OQOPACIBAIPJSH-UHFFFAOYSA-N -1 1 321.358 3.090 20 5 DGBDMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000182025732 527285382 /nfs/dbraw/zinc/28/53/82/527285382.db2.gz GQWPIGWEVIRFBI-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000739640195 574909834 /nfs/dbraw/zinc/90/98/34/574909834.db2.gz UEPUGIDXXOITEL-NSHDSACASA-N -1 1 312.753 3.077 20 5 DGBDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000749282557 575641872 /nfs/dbraw/zinc/64/18/72/575641872.db2.gz ZJBAODYLLAGPBV-MRVPVSSYSA-N -1 1 323.251 3.497 20 5 DGBDMM O=C([N-]c1nnc(C2CC2)s1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749911484 575687663 /nfs/dbraw/zinc/68/76/63/575687663.db2.gz RIEGJJNSPLCEBK-UHFFFAOYSA-N -1 1 324.749 3.229 20 5 DGBDMM CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C(C)C ZINC000918003167 620692645 /nfs/dbraw/zinc/69/26/45/620692645.db2.gz LFKCJTVKIDACOB-UHFFFAOYSA-N -1 1 316.361 3.410 20 5 DGBDMM CC1(C)CCc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2O1 ZINC000863047772 621635387 /nfs/dbraw/zinc/63/53/87/621635387.db2.gz FUSKPUBEAUJAGO-UHFFFAOYSA-N -1 1 315.329 3.279 20 5 DGBDMM O=c1cc(C2CC2)nc(S/C=C\c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000789971133 625589135 /nfs/dbraw/zinc/58/91/35/625589135.db2.gz UYHSPXNOJUOMJS-WAYWQWQTSA-N -1 1 305.315 3.324 20 5 DGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000780067277 623857233 /nfs/dbraw/zinc/85/72/33/623857233.db2.gz GBWPYUOYUOEYAO-VIFPVBQESA-N -1 1 305.261 3.358 20 5 DGBDMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC000784516526 624538881 /nfs/dbraw/zinc/53/88/81/624538881.db2.gz IUDOXFOXIZGZQD-VIFPVBQESA-N -1 1 305.261 3.358 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132253923 626710412 /nfs/dbraw/zinc/71/04/12/626710412.db2.gz QZKMUBGONNPJIJ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000833419996 629601965 /nfs/dbraw/zinc/60/19/65/629601965.db2.gz MZIUCQZCHNTPSL-LLVKDONJSA-N -1 1 324.352 3.057 20 5 DGBDMM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC000833643499 629634391 /nfs/dbraw/zinc/63/43/91/629634391.db2.gz BQBJJNFZURLPQO-AWEZNQCLSA-N -1 1 318.329 3.435 20 5 DGBDMM C[C@@]1(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000837583678 630279584 /nfs/dbraw/zinc/27/95/84/630279584.db2.gz PFKWGHFGFGIILA-NSHDSACASA-N -1 1 320.128 3.041 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000179186634 655862692 /nfs/dbraw/zinc/86/26/92/655862692.db2.gz WYCUSSDTXQRAHB-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001578526407 1191947702 /nfs/dbraw/zinc/94/77/02/1191947702.db2.gz PJZLQZRBQICXDM-UHFFFAOYSA-N -1 1 316.346 3.142 20 5 DGBDMM CCc1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001578526407 1191947706 /nfs/dbraw/zinc/94/77/06/1191947706.db2.gz PJZLQZRBQICXDM-UHFFFAOYSA-N -1 1 316.346 3.142 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1SCc1ccccc1 ZINC001582804555 1192109520 /nfs/dbraw/zinc/10/95/20/1192109520.db2.gz GXOPVPIKACOHGZ-UHFFFAOYSA-N -1 1 319.371 3.129 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1SCc1ccccc1 ZINC001582804555 1192109522 /nfs/dbraw/zinc/10/95/22/1192109522.db2.gz GXOPVPIKACOHGZ-UHFFFAOYSA-N -1 1 319.371 3.129 20 5 DGBDMM O=C([O-])c1ccccc1CSCc1cc(O)ccc1[N+](=O)[O-] ZINC001602470430 1192982831 /nfs/dbraw/zinc/98/28/31/1192982831.db2.gz LKBVAMGCKJEIGZ-UHFFFAOYSA-N -1 1 319.338 3.432 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Cl)ncc1F ZINC001349884541 1179971629 /nfs/dbraw/zinc/97/16/29/1179971629.db2.gz CTNJHIAIFMCYAN-UHFFFAOYSA-N -1 1 313.647 3.174 20 5 DGBDMM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001604321150 1193064762 /nfs/dbraw/zinc/06/47/62/1193064762.db2.gz BULYAWFNNHYMOI-MNOVXSKESA-N -1 1 315.329 3.100 20 5 DGBDMM Cc1nc(SCc2ccc(F)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC001473011016 1181140983 /nfs/dbraw/zinc/14/09/83/1181140983.db2.gz GKMLAQOVABOFIC-UHFFFAOYSA-N -1 1 309.322 3.139 20 5 DGBDMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001605883373 1193182093 /nfs/dbraw/zinc/18/20/93/1193182093.db2.gz SVMRCUKFCMZNOH-JTQLQIEISA-N -1 1 318.329 3.299 20 5 DGBDMM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1[O-] ZINC001635724935 1194567546 /nfs/dbraw/zinc/56/75/46/1194567546.db2.gz GMWIGJCPTAMCCL-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM CCOc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001637118877 1194650772 /nfs/dbraw/zinc/65/07/72/1194650772.db2.gz GIEGDLFDVWLSON-UHFFFAOYSA-N -1 1 309.709 3.227 20 5 DGBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001651349321 1195448053 /nfs/dbraw/zinc/44/80/53/1195448053.db2.gz YRHSIGWRADSDPY-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC001651386700 1195454023 /nfs/dbraw/zinc/45/40/23/1195454023.db2.gz UIXFPYMFUOUGDQ-UHFFFAOYSA-N -1 1 323.692 3.474 20 5 DGBDMM CC(C)(C)C[C@@H]1C[C@H]1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001573855286 950367088 /nfs/dbraw/zinc/36/70/88/950367088.db2.gz OZVYDRQUMRKLOK-JOYOIKCWSA-N -1 1 316.365 3.012 20 5 DGBDMM CC(C)(C)C[C@@H]1C[C@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001573855286 950367106 /nfs/dbraw/zinc/36/71/06/950367106.db2.gz OZVYDRQUMRKLOK-JOYOIKCWSA-N -1 1 316.365 3.012 20 5 DGBDMM O=C([O-])c1ccccc1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001574815482 957889885 /nfs/dbraw/zinc/88/98/85/957889885.db2.gz YNZWKNHDKQGJHL-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001605004271 972603408 /nfs/dbraw/zinc/60/34/08/972603408.db2.gz KUTKCGQISREBLA-NOZJJQNGSA-N -1 1 312.753 3.076 20 5 DGBDMM C[C@H](NCc1ccsc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001599901925 984851332 /nfs/dbraw/zinc/85/13/32/984851332.db2.gz WTRFBLONUCUBHO-VIFPVBQESA-N -1 1 306.343 3.205 20 5 DGBDMM COc1cccc(C(=O)[N-]c2c(C)noc2C(C)C)c1[N+](=O)[O-] ZINC001134027677 1083229361 /nfs/dbraw/zinc/22/93/61/1083229361.db2.gz IISZZUMOPNFBRH-UHFFFAOYSA-N -1 1 319.317 3.276 20 5 DGBDMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC001154944345 1088841675 /nfs/dbraw/zinc/84/16/75/1088841675.db2.gz GCNZRBKVGSDSPI-QMMMGPOBSA-N -1 1 322.267 3.070 20 5 DGBDMM Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1[N+](=O)[O-] ZINC001160696475 1088924827 /nfs/dbraw/zinc/92/48/27/1088924827.db2.gz MJRBNLWTOLLDAC-UHFFFAOYSA-N -1 1 323.308 3.288 20 5 DGBDMM Cc1nc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)n1 ZINC001210394519 1093151998 /nfs/dbraw/zinc/15/19/98/1093151998.db2.gz XORILIDCEAYRKQ-UHFFFAOYSA-N -1 1 315.116 3.449 20 5 DGBDMM Nc1cc(C(F)(F)F)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394201 1093152391 /nfs/dbraw/zinc/15/23/91/1093152391.db2.gz RIHNFTGFTDAKPU-UHFFFAOYSA-N -1 1 314.223 3.040 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ncccc2N2CCCC2)ccc1[O-] ZINC001210396700 1093153282 /nfs/dbraw/zinc/15/32/82/1093153282.db2.gz XAAOHCBYOCNJDO-UHFFFAOYSA-N -1 1 300.318 3.039 20 5 DGBDMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001225679113 1096503310 /nfs/dbraw/zinc/50/33/10/1096503310.db2.gz NKRKIVJCHGSTRW-SNVBAGLBSA-N -1 1 317.297 3.349 20 5 DGBDMM CC[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001229378723 1097309986 /nfs/dbraw/zinc/30/99/86/1097309986.db2.gz JKYNCTSBUDXQGR-LLVKDONJSA-N -1 1 307.281 3.068 20 5 DGBDMM CC(C)Oc1ncccc1COc1cc([N+](=O)[O-])ccc1[O-] ZINC001229399857 1097312701 /nfs/dbraw/zinc/31/27/01/1097312701.db2.gz NYNJFBIRARGVIY-UHFFFAOYSA-N -1 1 304.302 3.062 20 5 DGBDMM Cc1cc([O-])c(OC[C@H]2CC[C@]3(CCCCO3)O2)cc1[N+](=O)[O-] ZINC001229754089 1097377649 /nfs/dbraw/zinc/37/76/49/1097377649.db2.gz MDHCAWILMDRHRB-WBMJQRKESA-N -1 1 323.345 3.063 20 5 DGBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1C=CCC1 ZINC001234878869 1098694199 /nfs/dbraw/zinc/69/41/99/1098694199.db2.gz ZKVQJWDJMULSKF-MRVPVSSYSA-N -1 1 300.108 3.160 20 5 DGBDMM CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000442232519 529689552 /nfs/dbraw/zinc/68/95/52/529689552.db2.gz XFBZVAZSIYEPLU-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000276929403 213181863 /nfs/dbraw/zinc/18/18/63/213181863.db2.gz BFLNKDBJIQCWOQ-CYBMUJFWSA-N -1 1 320.370 3.270 20 5 DGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000093930687 284014828 /nfs/dbraw/zinc/01/48/28/284014828.db2.gz BSDUETNIHQJILK-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000488249260 245166459 /nfs/dbraw/zinc/16/64/59/245166459.db2.gz YJLGCGPGXKOYIJ-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM CC(C)Cc1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000159058678 197322981 /nfs/dbraw/zinc/32/29/81/197322981.db2.gz ZLVTURLFMRJJIQ-UHFFFAOYSA-N -1 1 324.337 3.036 20 5 DGBDMM O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1[O-] ZINC000255415177 285154408 /nfs/dbraw/zinc/15/44/08/285154408.db2.gz RDIOZAHQLDIWBP-YVMONPNESA-N -1 1 302.261 3.091 20 5 DGBDMM CC[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC000343639836 254171773 /nfs/dbraw/zinc/17/17/73/254171773.db2.gz HAWDYWMFEZENEA-MRVPVSSYSA-N -1 1 320.374 3.147 20 5 DGBDMM CC(C)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000345067295 254328165 /nfs/dbraw/zinc/32/81/65/254328165.db2.gz BGZQCDGXYWTCCY-UHFFFAOYSA-N -1 1 302.334 3.020 20 5 DGBDMM C[C@@H](C1CC1)n1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000302486915 533376439 /nfs/dbraw/zinc/37/64/39/533376439.db2.gz YTBXNGMITREBMC-VIFPVBQESA-N -1 1 317.305 3.414 20 5 DGBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1F ZINC000609657716 400185363 /nfs/dbraw/zinc/18/53/63/400185363.db2.gz MLSLXLFIQCDWRZ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000595502931 400170883 /nfs/dbraw/zinc/17/08/83/400170883.db2.gz OUQCRIROQHTZLU-CYBMUJFWSA-N -1 1 313.357 3.075 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000595782909 400258094 /nfs/dbraw/zinc/25/80/94/400258094.db2.gz JWRVMGHNJAASIQ-KRWDZBQOSA-N -1 1 320.389 3.082 20 5 DGBDMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2OC)c(=O)c1CC ZINC000601935709 400379589 /nfs/dbraw/zinc/37/95/89/400379589.db2.gz MCTMOGXBLGRDRP-LLVKDONJSA-N -1 1 305.334 3.132 20 5 DGBDMM CCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030529881 400327990 /nfs/dbraw/zinc/32/79/90/400327990.db2.gz BFEXMJJIOAPLLU-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032586241 400369428 /nfs/dbraw/zinc/36/94/28/400369428.db2.gz XYEARQCDZCSYLZ-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=C(Nc1cc(F)ccc1OCC1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000361138290 286607040 /nfs/dbraw/zinc/60/70/40/286607040.db2.gz AJHXZKLBSJIGES-UHFFFAOYSA-N -1 1 319.292 3.103 20 5 DGBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc([O-])ccc1Cl ZINC000352102225 264930153 /nfs/dbraw/zinc/93/01/53/264930153.db2.gz KEKPRLKZDUHHNP-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000007323211 431340598 /nfs/dbraw/zinc/34/05/98/431340598.db2.gz MKCGLYKPXNEVER-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000007405774 431348002 /nfs/dbraw/zinc/34/80/02/431348002.db2.gz UIPPAHQTAGFBAF-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000014256010 431587929 /nfs/dbraw/zinc/58/79/29/431587929.db2.gz RNSWEIBIBBOKDM-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2C)o1 ZINC000426772627 433593665 /nfs/dbraw/zinc/59/36/65/433593665.db2.gz FSAOAGOGDJBDEC-CQSZACIVSA-N -1 1 318.329 3.110 20 5 DGBDMM Cc1c(CNC(=O)c2ccc(Cl)cc2[O-])cccc1[N+](=O)[O-] ZINC000436889133 434151009 /nfs/dbraw/zinc/15/10/09/434151009.db2.gz PMBHXZSPXSBASO-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CC(=O)c1cc(F)c([N-]C(=O)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000340531941 434189967 /nfs/dbraw/zinc/18/99/67/434189967.db2.gz IKABQZJSHOEDIP-UHFFFAOYSA-N -1 1 320.251 3.328 20 5 DGBDMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1[N+](=O)[O-] ZINC000445453300 434801056 /nfs/dbraw/zinc/80/10/56/434801056.db2.gz HQSNAOQJAIJMDK-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc([O-])cc1 ZINC000537555252 435448703 /nfs/dbraw/zinc/44/87/03/435448703.db2.gz YOGVZUHHDNCCKS-UHFFFAOYSA-N -1 1 323.308 3.047 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000542727484 314093645 /nfs/dbraw/zinc/09/36/45/314093645.db2.gz JIVJWTQINPEHAI-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc(C)c1F ZINC000181331490 323251768 /nfs/dbraw/zinc/25/17/68/323251768.db2.gz OTACCERLNVIVRY-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1cc(F)c([N-]C(=O)c2snnc2C2CC2)cc1[N+](=O)[O-] ZINC000292490055 533813499 /nfs/dbraw/zinc/81/34/99/533813499.db2.gz YPOIPQHYKGQIQD-UHFFFAOYSA-N -1 1 322.321 3.024 20 5 DGBDMM CC(C)[C@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445215685 527792522 /nfs/dbraw/zinc/79/25/22/527792522.db2.gz NBDXHXUOPPBHFY-AAEUAGOBSA-N -1 1 321.377 3.030 20 5 DGBDMM C/C(=C/C(=O)Nc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000752680211 621404200 /nfs/dbraw/zinc/40/42/00/621404200.db2.gz NAVZRUBZMRFXNI-KTKRTIGZSA-N -1 1 316.288 3.482 20 5 DGBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1F ZINC000760196620 621920499 /nfs/dbraw/zinc/92/04/99/621920499.db2.gz BTJAEIJZJYRSKF-TWGQIWQCSA-N -1 1 302.261 3.091 20 5 DGBDMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000790047113 625596599 /nfs/dbraw/zinc/59/65/99/625596599.db2.gz FRTMQYFBIOTNQG-QMMMGPOBSA-N -1 1 321.720 3.091 20 5 DGBDMM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780068650 623857507 /nfs/dbraw/zinc/85/75/07/623857507.db2.gz MPIIUKCDUVJLAW-NHYWBVRUSA-N -1 1 323.345 3.053 20 5 DGBDMM O=c1cc(C(F)F)nc(S/C=C\c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000809987209 626966011 /nfs/dbraw/zinc/96/60/11/626966011.db2.gz WKMFFTMYNRLANT-ARJAWSKDSA-N -1 1 315.257 3.384 20 5 DGBDMM O=C([O-])c1cccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000821552349 628382962 /nfs/dbraw/zinc/38/29/62/628382962.db2.gz JIVBEFLYSFIIOU-UHFFFAOYSA-N -1 1 320.732 3.236 20 5 DGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(Cl)n1 ZINC000821670736 628390472 /nfs/dbraw/zinc/39/04/72/628390472.db2.gz PUGXTYGPZHUJPO-UHFFFAOYSA-N -1 1 301.686 3.096 20 5 DGBDMM CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000932168147 661543759 /nfs/dbraw/zinc/54/37/59/661543759.db2.gz HSHPVQKHAFYBLS-ZDUSSCGKSA-N -1 1 308.378 3.080 20 5 DGBDMM C/C(=C/Cl)CSc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001588768976 1192454071 /nfs/dbraw/zinc/45/40/71/1192454071.db2.gz RFLOFBZQPNOGBC-HYXAFXHYSA-N -1 1 317.783 3.071 20 5 DGBDMM C/C(=C/Cl)CSc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001588768976 1192454074 /nfs/dbraw/zinc/45/40/74/1192454074.db2.gz RFLOFBZQPNOGBC-HYXAFXHYSA-N -1 1 317.783 3.071 20 5 DGBDMM CC(C)(C)CCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589122898 1192457958 /nfs/dbraw/zinc/45/79/58/1192457958.db2.gz HLWQFVBISRDSNI-UHFFFAOYSA-N -1 1 324.410 3.465 20 5 DGBDMM CC(C)(C)CCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589122898 1192457961 /nfs/dbraw/zinc/45/79/61/1192457961.db2.gz HLWQFVBISRDSNI-UHFFFAOYSA-N -1 1 324.410 3.465 20 5 DGBDMM O=[N+]([O-])c1c(NC2CCCCCCC2)cccc1-c1nnn[n-]1 ZINC001593464957 1192630809 /nfs/dbraw/zinc/63/08/09/1192630809.db2.gz CGLRPWSAWLEZPM-UHFFFAOYSA-N -1 1 316.365 3.300 20 5 DGBDMM O=[N+]([O-])c1c(NC2CCCCCCC2)cccc1-c1nn[n-]n1 ZINC001593464957 1192630811 /nfs/dbraw/zinc/63/08/11/1192630811.db2.gz CGLRPWSAWLEZPM-UHFFFAOYSA-N -1 1 316.365 3.300 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccc(C3CC3)cc2)ccc1-c1nn[n-]n1 ZINC001593474549 1192632490 /nfs/dbraw/zinc/63/24/90/1192632490.db2.gz SJRQJDMVULUVDZ-UHFFFAOYSA-N -1 1 322.328 3.396 20 5 DGBDMM C[C@H]1CCC[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603888656 1193036754 /nfs/dbraw/zinc/03/67/54/1193036754.db2.gz YLAOHIGFHKNCFX-WDEREUQCSA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@H]1CCC[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603888656 1193036757 /nfs/dbraw/zinc/03/67/57/1193036757.db2.gz YLAOHIGFHKNCFX-WDEREUQCSA-N -1 1 316.365 3.013 20 5 DGBDMM CSc1cccnc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001452823378 1182301855 /nfs/dbraw/zinc/30/18/55/1182301855.db2.gz RFBLCKIMXHCJER-UHFFFAOYSA-N -1 1 307.306 3.103 20 5 DGBDMM Cc1cccc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001605926460 1193185081 /nfs/dbraw/zinc/18/50/81/1193185081.db2.gz DIVXAIXPQYSFNP-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM Cc1cccc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001605926460 1193185082 /nfs/dbraw/zinc/18/50/82/1193185082.db2.gz DIVXAIXPQYSFNP-UHFFFAOYSA-N -1 1 313.342 3.235 20 5 DGBDMM CCCC[C@H](CCC)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654405881 1195800593 /nfs/dbraw/zinc/80/05/93/1195800593.db2.gz BVNADMLADOTUEE-NSHDSACASA-N -1 1 309.366 3.032 20 5 DGBDMM O=[N+]([O-])c1cc(Oc2ccc3c(c2)CCC3)ccc1-c1nnn[n-]1 ZINC001609601433 1193344459 /nfs/dbraw/zinc/34/44/59/1193344459.db2.gz XMZOXWCNEKBEOH-UHFFFAOYSA-N -1 1 323.312 3.056 20 5 DGBDMM O=[N+]([O-])c1cc(Oc2ccc3c(c2)CCC3)ccc1-c1nn[n-]n1 ZINC001609601433 1193344460 /nfs/dbraw/zinc/34/44/60/1193344460.db2.gz XMZOXWCNEKBEOH-UHFFFAOYSA-N -1 1 323.312 3.056 20 5 DGBDMM CC(=O)c1ccsc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001534196499 1187882531 /nfs/dbraw/zinc/88/25/31/1187882531.db2.gz SEBQUCISFQMRHH-UHFFFAOYSA-N -1 1 308.290 3.250 20 5 DGBDMM CSc1ccc([O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC001540435934 1188239547 /nfs/dbraw/zinc/23/95/47/1188239547.db2.gz CSCYKAPQPRDGJZ-UHFFFAOYSA-N -1 1 304.327 3.275 20 5 DGBDMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557027969 1189036710 /nfs/dbraw/zinc/03/67/10/1189036710.db2.gz FQIBXTDXGPGJOE-VXGBXAGGSA-N -1 1 321.377 3.032 20 5 DGBDMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001644631355 1195121298 /nfs/dbraw/zinc/12/12/98/1195121298.db2.gz NADCPPVWTNGPRU-VIFPVBQESA-N -1 1 320.732 3.445 20 5 DGBDMM CCc1[nH]c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001597390889 987619100 /nfs/dbraw/zinc/61/91/00/987619100.db2.gz HCCQHZALHXNEDQ-SNVBAGLBSA-N -1 1 317.345 3.034 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccnc(Br)c2)ccc1[O-] ZINC001210392178 1081954037 /nfs/dbraw/zinc/95/40/37/1081954037.db2.gz AAAGPMQAFQMGEL-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001181538393 1083486580 /nfs/dbraw/zinc/48/65/80/1083486580.db2.gz QBNDXXVBSAZWLR-QMMMGPOBSA-N -1 1 305.721 3.168 20 5 DGBDMM COc1cc(Cl)ccc1OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001162179222 1089593317 /nfs/dbraw/zinc/59/33/17/1089593317.db2.gz NKCKRBUYYWLJAY-UHFFFAOYSA-N -1 1 323.688 3.182 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001298972693 1092135311 /nfs/dbraw/zinc/13/53/11/1092135311.db2.gz IDUYJIHDIQGERS-UHFFFAOYSA-N -1 1 322.267 3.448 20 5 DGBDMM O=[N+]([O-])c1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1F ZINC001215287043 1093951913 /nfs/dbraw/zinc/95/19/13/1093951913.db2.gz FBSRELKRJRZMEN-UHFFFAOYSA-N -1 1 301.636 3.371 20 5 DGBDMM CCOc1ccc([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cc1 ZINC001225666383 1096498874 /nfs/dbraw/zinc/49/88/74/1096498874.db2.gz HQJKKGGUDWKYFJ-JTQLQIEISA-N -1 1 304.302 3.234 20 5 DGBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc2ccccc21 ZINC001228143011 1097061635 /nfs/dbraw/zinc/06/16/35/1097061635.db2.gz IXTPFLFTAZADBO-JTQLQIEISA-N -1 1 311.297 3.384 20 5 DGBDMM CC[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1C ZINC001229382162 1097309963 /nfs/dbraw/zinc/30/99/63/1097309963.db2.gz QGIVBAVKWXMIBF-GFCCVEGCSA-N -1 1 321.308 3.376 20 5 DGBDMM CC[C@H](COC)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515842 1097337220 /nfs/dbraw/zinc/33/72/20/1097337220.db2.gz HUQBTDVMLDVTMD-GFCCVEGCSA-N -1 1 314.337 3.456 20 5 DGBDMM CO[C@H](C)COc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229517722 1097337461 /nfs/dbraw/zinc/33/74/61/1097337461.db2.gz PKTXTVKZNAHWDC-SNVBAGLBSA-N -1 1 300.310 3.066 20 5 DGBDMM Cc1cc([O-])c(O[C@H](C)c2cnc3ccccn32)cc1[N+](=O)[O-] ZINC001229751625 1097376677 /nfs/dbraw/zinc/37/66/77/1097376677.db2.gz WYHBKSWVPFHSBK-LLVKDONJSA-N -1 1 313.313 3.397 20 5 DGBDMM Cc1cc([O-])c(OC[C@H]2CC[C@@]3(CCCCO3)O2)cc1[N+](=O)[O-] ZINC001229754086 1097377611 /nfs/dbraw/zinc/37/76/11/1097377611.db2.gz MDHCAWILMDRHRB-MLGOLLRUSA-N -1 1 323.345 3.063 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCc3c2nccc3Cl)n1 ZINC001231259048 1097706081 /nfs/dbraw/zinc/70/60/81/1097706081.db2.gz DQUOTYXZQDNGHW-LLVKDONJSA-N -1 1 321.720 3.119 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCc3c2cc(F)cc3F)n1 ZINC001231264462 1097707956 /nfs/dbraw/zinc/70/79/56/1097707956.db2.gz RANYIKIYVSVAKF-ZDUSSCGKSA-N -1 1 322.267 3.348 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCc3c2cc(F)cc3F)n1 ZINC001231264461 1097708529 /nfs/dbraw/zinc/70/85/29/1097708529.db2.gz RANYIKIYVSVAKF-CYBMUJFWSA-N -1 1 322.267 3.348 20 5 DGBDMM COc1cc([O-])cc2oc3cc(O)c(OC(C)C)cc3c(=O)c12 ZINC001234798151 1098667146 /nfs/dbraw/zinc/66/71/46/1098667146.db2.gz GIFGQVTWDSMKAL-UHFFFAOYSA-N -1 1 316.309 3.153 20 5 DGBDMM C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001234880628 1098696032 /nfs/dbraw/zinc/69/60/32/1098696032.db2.gz FIAXWTZBEUIOEA-LURJTMIESA-N -1 1 302.124 3.240 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)cc1[O-] ZINC001250880300 1105599321 /nfs/dbraw/zinc/59/93/21/1105599321.db2.gz HWWAOHVILCOFLA-UHFFFAOYSA-N -1 1 324.340 3.444 20 5 DGBDMM CC(C)(C(=O)Nc1cccc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001302487774 1111115842 /nfs/dbraw/zinc/11/58/42/1111115842.db2.gz YAPFGUZKFSPJIX-UHFFFAOYSA-N -1 1 318.304 3.356 20 5 DGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1[O-] ZINC000006584462 181356737 /nfs/dbraw/zinc/35/67/37/181356737.db2.gz SXXYQVSOGFVCDU-UHFFFAOYSA-N -1 1 322.320 3.384 20 5 DGBDMM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc([O-])c1F ZINC000128322797 284371664 /nfs/dbraw/zinc/37/16/64/284371664.db2.gz JIDYBRSEXVWKCZ-BQYQJAHWSA-N -1 1 302.261 3.091 20 5 DGBDMM CC(C)n1c(CCNc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000091483703 400124240 /nfs/dbraw/zinc/12/42/40/400124240.db2.gz VYNISVQTFRNFMQ-UHFFFAOYSA-N -1 1 307.379 3.084 20 5 DGBDMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000590454874 400386580 /nfs/dbraw/zinc/38/65/80/400386580.db2.gz OHNTVOOULZGMSE-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCc4ccccc4C3)no2)[n-]1 ZINC000612952226 400633101 /nfs/dbraw/zinc/63/31/01/400633101.db2.gz YEPSHPPRGAJKQO-LBPRGKRZSA-N -1 1 310.313 3.245 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613440507 400721769 /nfs/dbraw/zinc/72/17/69/400721769.db2.gz FPLMYQUYMHHSAD-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000353287945 265375395 /nfs/dbraw/zinc/37/53/95/265375395.db2.gz JWXQCZMIGSJWPV-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)[n-]1 ZINC000355527409 266103633 /nfs/dbraw/zinc/10/36/33/266103633.db2.gz IIXFNDVDQDBKPL-UHFFFAOYSA-N -1 1 322.227 3.241 20 5 DGBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000008508623 431399322 /nfs/dbraw/zinc/39/93/22/431399322.db2.gz JNXFNBLUDNXZIK-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000031555835 431760597 /nfs/dbraw/zinc/76/05/97/431760597.db2.gz FRBDKKKYZGJRKB-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CC(C)(C)c1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000123378281 431862909 /nfs/dbraw/zinc/86/29/09/431862909.db2.gz BQYNGRDUQTVGMU-UHFFFAOYSA-N -1 1 324.337 3.135 20 5 DGBDMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263461382 432546776 /nfs/dbraw/zinc/54/67/76/432546776.db2.gz BVTLVHQZYVZILF-UHFFFAOYSA-N -1 1 318.329 3.150 20 5 DGBDMM COc1cccc(C(=O)[N-]c2c(C)noc2C2CC2)c1[N+](=O)[O-] ZINC000194851512 432581027 /nfs/dbraw/zinc/58/10/27/432581027.db2.gz OXWXKORHKDITIT-UHFFFAOYSA-N -1 1 317.301 3.030 20 5 DGBDMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000195062090 432598411 /nfs/dbraw/zinc/59/84/11/432598411.db2.gz GQOLBAPWRCNHTO-JTQLQIEISA-N -1 1 319.386 3.402 20 5 DGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)C1CCCCC1 ZINC000445006317 289927655 /nfs/dbraw/zinc/92/76/55/289927655.db2.gz BZWRSDSQXJSCSG-MNOVXSKESA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000426806325 433604803 /nfs/dbraw/zinc/60/48/03/433604803.db2.gz BKQYTSZXAUNDEZ-ZDUSSCGKSA-N -1 1 318.329 3.110 20 5 DGBDMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436797691 434113427 /nfs/dbraw/zinc/11/34/27/434113427.db2.gz OYRZODYZLNXMSF-SECBINFHSA-N -1 1 320.732 3.445 20 5 DGBDMM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340426835 434123294 /nfs/dbraw/zinc/12/32/94/434123294.db2.gz OOHCYQYKOHLGFH-UHFFFAOYSA-N -1 1 300.101 3.482 20 5 DGBDMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)cccc1[N+](=O)[O-] ZINC000445456914 434804160 /nfs/dbraw/zinc/80/41/60/434804160.db2.gz WMVHZRJFFRKIPX-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cl)c3F)no2)[n-]1 ZINC000445381731 434797475 /nfs/dbraw/zinc/79/74/75/434797475.db2.gz AKMOGZPNNRAHKL-UHFFFAOYSA-N -1 1 308.656 3.432 20 5 DGBDMM CCc1nc(SCc2ccc([N+](=O)[O-])cc2F)[n-]c(=O)c1C ZINC000579496492 435160022 /nfs/dbraw/zinc/16/00/22/435160022.db2.gz IOWNKHGPONTLMB-UHFFFAOYSA-N -1 1 323.349 3.393 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174648375 534345388 /nfs/dbraw/zinc/34/53/88/534345388.db2.gz XYKDHMXGBZZZIW-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000916106939 620617344 /nfs/dbraw/zinc/61/73/44/620617344.db2.gz JMBIIKVYCUSBEV-UHFFFAOYSA-N -1 1 320.370 3.348 20 5 DGBDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826051971 628823118 /nfs/dbraw/zinc/82/31/18/628823118.db2.gz FUVHLNXEGSGGJM-WBMJQRKESA-N -1 1 314.341 3.146 20 5 DGBDMM C[C@H](C(=O)[O-])[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000826053492 628823248 /nfs/dbraw/zinc/82/32/48/628823248.db2.gz JGNHPHPNTLSLPR-IINYFYTJSA-N -1 1 320.370 3.208 20 5 DGBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826051970 628823427 /nfs/dbraw/zinc/82/34/27/628823427.db2.gz FUVHLNXEGSGGJM-MLGOLLRUSA-N -1 1 314.341 3.146 20 5 DGBDMM COc1ccc(C2CC2)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000829842271 629200447 /nfs/dbraw/zinc/20/04/47/629200447.db2.gz ZMQOLFUJQWJALE-UHFFFAOYSA-N -1 1 301.302 3.061 20 5 DGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000082193052 660210982 /nfs/dbraw/zinc/21/09/82/660210982.db2.gz SYRPAVYKKDNUOQ-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000179649729 655910648 /nfs/dbraw/zinc/91/06/48/655910648.db2.gz ACRFMVHFSZEOGV-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM C/C(=C\Cl)CSc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588769865 1192454128 /nfs/dbraw/zinc/45/41/28/1192454128.db2.gz YPWSWEZIMRLLPE-FNORWQNLSA-N -1 1 311.754 3.010 20 5 DGBDMM C/C(=C\Cl)CSc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001588769865 1192454130 /nfs/dbraw/zinc/45/41/30/1192454130.db2.gz YPWSWEZIMRLLPE-FNORWQNLSA-N -1 1 311.754 3.010 20 5 DGBDMM O=[N+]([O-])c1ccc(Sc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001593479395 1192632494 /nfs/dbraw/zinc/63/24/94/1192632494.db2.gz FNFFIHQLMPPQLM-UHFFFAOYSA-N -1 1 317.305 3.065 20 5 DGBDMM CC(C)(NC(=O)c1ccc(F)c([O-])c1)c1ccccc1[N+](=O)[O-] ZINC001450332244 1182247366 /nfs/dbraw/zinc/24/73/66/1182247366.db2.gz BVCJMNRHXHPOFR-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001450894718 1182258746 /nfs/dbraw/zinc/25/87/46/1182258746.db2.gz IYQWXPDYJPOHEB-UHFFFAOYSA-N -1 1 322.267 3.448 20 5 DGBDMM Cc1cc([N-]C(=O)c2ocnc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001457202710 1182449868 /nfs/dbraw/zinc/44/98/68/1182449868.db2.gz XDFXXKDNFVWLDV-UHFFFAOYSA-N -1 1 315.207 3.162 20 5 DGBDMM O=C([N-]c1ccnc(F)c1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001461694545 1182843698 /nfs/dbraw/zinc/84/36/98/1182843698.db2.gz PRGZYMBUWYVIBS-UHFFFAOYSA-N -1 1 319.223 3.267 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1[O-] ZINC001471170124 1183543292 /nfs/dbraw/zinc/54/32/92/1183543292.db2.gz ZOPXPVDSYTXFJT-UHFFFAOYSA-N -1 1 304.277 3.309 20 5 DGBDMM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(N)c1[N+](=O)[O-] ZINC001472227073 1183625851 /nfs/dbraw/zinc/62/58/51/1183625851.db2.gz BROAWQONBKNQRA-UHFFFAOYSA-N -1 1 321.720 3.097 20 5 DGBDMM Cc1cccc([O-])c1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001472589399 1183654042 /nfs/dbraw/zinc/65/40/42/1183654042.db2.gz VLLIJWNWNLJMBZ-UHFFFAOYSA-N -1 1 323.308 3.409 20 5 DGBDMM Cc1[nH]c(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001607752095 1193253022 /nfs/dbraw/zinc/25/30/22/1193253022.db2.gz RIIKWORUCYWGSF-JTQLQIEISA-N -1 1 317.345 3.089 20 5 DGBDMM CC(C)CCCSc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609094250 1193324961 /nfs/dbraw/zinc/32/49/61/1193324961.db2.gz OFDLBDPFXCENQK-UHFFFAOYSA-N -1 1 307.379 3.303 20 5 DGBDMM CC(C)CCCSc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609094250 1193324965 /nfs/dbraw/zinc/32/49/65/1193324965.db2.gz OFDLBDPFXCENQK-UHFFFAOYSA-N -1 1 307.379 3.303 20 5 DGBDMM CCc1nc(S/C=C/c2ccc([N+](=O)[O-])o2)[n-]c(=O)c1C ZINC001613845094 1193477549 /nfs/dbraw/zinc/47/75/49/1193477549.db2.gz UADWHQCCKCLWIK-VOTSOKGWSA-N -1 1 307.331 3.317 20 5 DGBDMM CC(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001570905989 1190973972 /nfs/dbraw/zinc/97/39/72/1190973972.db2.gz FXIOIWJZWWIBKU-UHFFFAOYSA-N -1 1 301.302 3.014 20 5 DGBDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1[O-] ZINC001642766824 1194936179 /nfs/dbraw/zinc/93/61/79/1194936179.db2.gz OYNNTMAPIWALFS-RMKNXTFCSA-N -1 1 302.261 3.091 20 5 DGBDMM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1c([O-])cccc1F ZINC001645071065 1195154273 /nfs/dbraw/zinc/15/42/73/1195154273.db2.gz JCJRZUZAKJLIFB-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM Cc1cccc(C(=O)NCc2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC001651346811 1195448134 /nfs/dbraw/zinc/44/81/34/1195448134.db2.gz TWJIYPMJAKMYOK-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001652753078 1195647218 /nfs/dbraw/zinc/64/72/18/1195647218.db2.gz HKFZLVGAGSZTPQ-HOTGVXAUSA-N -1 1 322.405 3.326 20 5 DGBDMM CC(C)(NCc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001602953722 971931398 /nfs/dbraw/zinc/93/13/98/971931398.db2.gz MMCFLSGDKXTVHM-UHFFFAOYSA-N -1 1 314.341 3.318 20 5 DGBDMM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001594215762 959326910 /nfs/dbraw/zinc/32/69/10/959326910.db2.gz HPMWMUDBFBXZON-NOZJJQNGSA-N -1 1 312.753 3.076 20 5 DGBDMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001599841514 988843339 /nfs/dbraw/zinc/84/33/39/988843339.db2.gz NFNDVDBBSPUBDD-SNVBAGLBSA-N -1 1 318.304 3.283 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001648851141 1081943528 /nfs/dbraw/zinc/94/35/28/1081943528.db2.gz WNVRDEQLFPSHAB-NEPJUHHUSA-N -1 1 316.288 3.182 20 5 DGBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(Cl)no1 ZINC001158757594 1088012365 /nfs/dbraw/zinc/01/23/65/1088012365.db2.gz YROMOVYFUXLRGG-UHFFFAOYSA-N -1 1 324.724 3.309 20 5 DGBDMM CC1(C)C(c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n[nH]2)C1(C)C ZINC001163411311 1090180399 /nfs/dbraw/zinc/18/03/99/1090180399.db2.gz OEYPXQNCGMSZDB-UHFFFAOYSA-N -1 1 317.349 3.048 20 5 DGBDMM CC(=O)c1ccnc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392724 1093151729 /nfs/dbraw/zinc/15/17/29/1093151729.db2.gz IJSQAHQVWHFIIW-UHFFFAOYSA-N -1 1 307.693 3.295 20 5 DGBDMM Nc1cc(C(F)(F)F)ncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393840 1093151800 /nfs/dbraw/zinc/15/18/00/1093151800.db2.gz JCDDBRTYDLLYRJ-UHFFFAOYSA-N -1 1 314.223 3.040 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001135504817 1094553878 /nfs/dbraw/zinc/55/38/78/1094553878.db2.gz RXFWTRHVFJNCJJ-UHFFFAOYSA-N -1 1 320.732 3.443 20 5 DGBDMM CC(=O)c1ccc([O-])cc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001225617523 1096483550 /nfs/dbraw/zinc/48/35/50/1096483550.db2.gz XUQYCUGSVRSAIE-HNNXBMFYSA-N -1 1 313.309 3.049 20 5 DGBDMM Cc1nc(O[C@@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378050 1097309535 /nfs/dbraw/zinc/30/95/35/1097309535.db2.gz FLXHQFWJMKTRCB-LLVKDONJSA-N -1 1 321.720 3.119 20 5 DGBDMM Cc1ccccc1OC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395995 1097311639 /nfs/dbraw/zinc/31/16/39/1097311639.db2.gz OSJJJZWDCKMGSZ-GFCCVEGCSA-N -1 1 303.314 3.455 20 5 DGBDMM CCO[C@H](C)COc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229514684 1097337381 /nfs/dbraw/zinc/33/73/81/1097337381.db2.gz LSBGQZXGELGKQS-LLVKDONJSA-N -1 1 314.337 3.456 20 5 DGBDMM CC[C@@H](COc1ccc2c(c1)oc1cc([O-])ccc1c2=O)OC ZINC001229517799 1097337607 /nfs/dbraw/zinc/33/76/07/1097337607.db2.gz QHXRCTRKMBSTFA-LBPRGKRZSA-N -1 1 314.337 3.456 20 5 DGBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CCOCC3)ccc21 ZINC001229518739 1097338264 /nfs/dbraw/zinc/33/82/64/1097338264.db2.gz WLJXKLVDFNWGOT-UHFFFAOYSA-N -1 1 312.321 3.210 20 5 DGBDMM CCC[C@@H](CC(=O)OCC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750579 1097376367 /nfs/dbraw/zinc/37/63/67/1097376367.db2.gz OBFQMSWIRXZZRR-NSHDSACASA-N -1 1 311.334 3.110 20 5 DGBDMM Cc1cc([O-])c(O[C@@H](C)c2cnc3ccccn32)cc1[N+](=O)[O-] ZINC001229751628 1097376503 /nfs/dbraw/zinc/37/65/03/1097376503.db2.gz WYHBKSWVPFHSBK-NSHDSACASA-N -1 1 313.313 3.397 20 5 DGBDMM CC/C=C\CCOC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751566 1097376716 /nfs/dbraw/zinc/37/67/16/1097376716.db2.gz VVJLMWDSYOAMQR-FOQNGQEVSA-N -1 1 323.345 3.276 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCc3ccccc32)n1 ZINC001231259577 1097705930 /nfs/dbraw/zinc/70/59/30/1097705930.db2.gz OJOIHJRYRRKENX-CQSZACIVSA-N -1 1 300.314 3.460 20 5 DGBDMM Cc1cccc(OC[C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c1 ZINC001231262323 1097707017 /nfs/dbraw/zinc/70/70/17/1097707017.db2.gz FOKSKXWHKSFKAL-LBPRGKRZSA-N -1 1 318.329 3.159 20 5 DGBDMM CCn1c2ccc(C)cc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251087008 1105628140 /nfs/dbraw/zinc/62/81/40/1105628140.db2.gz LFBARERQVBVSTD-UHFFFAOYSA-N -1 1 313.313 3.351 20 5 DGBDMM CCOc1ccc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)n(C)c2c1 ZINC001251389428 1105655923 /nfs/dbraw/zinc/65/59/23/1105655923.db2.gz LKRIVEYLWUZUJX-UHFFFAOYSA-N -1 1 313.313 3.253 20 5 DGBDMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc2nc3ccccc3nc12 ZINC001260741371 1107309721 /nfs/dbraw/zinc/30/97/21/1107309721.db2.gz FVXODUWQJZFUCU-LLVKDONJSA-N -1 1 315.398 3.323 20 5 DGBDMM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2O1 ZINC000276881370 213151460 /nfs/dbraw/zinc/15/14/60/213151460.db2.gz GDLCSNSDFFZHIH-OAHLLOKOSA-N -1 1 317.301 3.073 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000006859159 181398484 /nfs/dbraw/zinc/39/84/84/181398484.db2.gz WOGDKPNGHKXABQ-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=C(Nc1cccc([O-])c1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128423268 284375110 /nfs/dbraw/zinc/37/51/10/284375110.db2.gz BYDBMNVHYZMEKJ-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000142014229 284528498 /nfs/dbraw/zinc/52/84/98/284528498.db2.gz OZTRIDKUOBQACC-UHFFFAOYSA-N -1 1 320.370 3.348 20 5 DGBDMM CC[C@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C1CC1 ZINC000342833495 254061703 /nfs/dbraw/zinc/06/17/03/254061703.db2.gz BIJUWUJILKZGCN-VIFPVBQESA-N -1 1 317.349 3.220 20 5 DGBDMM CC[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC000343639839 254171444 /nfs/dbraw/zinc/17/14/44/254171444.db2.gz HAWDYWMFEZENEA-QMMMGPOBSA-N -1 1 320.374 3.147 20 5 DGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)C1CCCCC1 ZINC000445006316 533312942 /nfs/dbraw/zinc/31/29/42/533312942.db2.gz BZWRSDSQXJSCSG-GHMZBOCLSA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1cc(NCCc2n[n-]c(=S)n2C2CC2)ccc1[N+](=O)[O-] ZINC000092651769 400189536 /nfs/dbraw/zinc/18/95/36/400189536.db2.gz QXCKMGICRHUZNH-UHFFFAOYSA-N -1 1 319.390 3.147 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(F)c1 ZINC000158549958 400725813 /nfs/dbraw/zinc/72/58/13/400725813.db2.gz ZXFFULZLQKMGAL-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCC1(CC)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000190622608 432177270 /nfs/dbraw/zinc/17/72/70/432177270.db2.gz ZMULOUBULSOHOZ-UHFFFAOYSA-N -1 1 321.377 3.128 20 5 DGBDMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000410342620 229671034 /nfs/dbraw/zinc/67/10/34/229671034.db2.gz MQHVQAKBJOBZJC-UHFFFAOYSA-N -1 1 320.370 3.154 20 5 DGBDMM CC1(C)CCCc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000427619490 275822072 /nfs/dbraw/zinc/82/20/72/275822072.db2.gz YMRMYABHQIPJGF-UHFFFAOYSA-N -1 1 320.374 3.246 20 5 DGBDMM CCCc1cc(=O)[n-]c(SCc2c(F)cccc2[N+](=O)[O-])n1 ZINC000078412029 431666482 /nfs/dbraw/zinc/66/64/82/431666482.db2.gz VJKQJDKDBLUBAL-UHFFFAOYSA-N -1 1 323.349 3.062 20 5 DGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Br ZINC000037011353 431843283 /nfs/dbraw/zinc/84/32/83/431843283.db2.gz WWHSUBHJMQTPFX-UHFFFAOYSA-N -1 1 324.134 3.246 20 5 DGBDMM CCCCc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000044283590 431872722 /nfs/dbraw/zinc/87/27/22/431872722.db2.gz BITIUUPZCQOMSE-UHFFFAOYSA-N -1 1 312.376 3.103 20 5 DGBDMM Cc1nc(CC(C)C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000268409921 432869393 /nfs/dbraw/zinc/86/93/93/432869393.db2.gz CETFHVQKTNVRAW-UHFFFAOYSA-N -1 1 308.363 3.139 20 5 DGBDMM CC(C)COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299111146 433319298 /nfs/dbraw/zinc/31/92/98/433319298.db2.gz YGXTVSILEKJALG-UHFFFAOYSA-N -1 1 303.318 3.210 20 5 DGBDMM CC(C)CC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000362363622 433661904 /nfs/dbraw/zinc/66/19/04/433661904.db2.gz CYBHVPPTLLDEAP-UHFFFAOYSA-N -1 1 321.377 3.032 20 5 DGBDMM O=C(Nc1nc2c(s1)CCCCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000352002222 433848315 /nfs/dbraw/zinc/84/83/15/433848315.db2.gz GFLFPXVALRMIHG-UHFFFAOYSA-N -1 1 320.374 3.291 20 5 DGBDMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc([N+](=O)[O-])c1 ZINC000445459850 434803431 /nfs/dbraw/zinc/80/34/31/434803431.db2.gz IKSYOQUROQYXQT-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM CC(C)(Cc1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445787874 434825946 /nfs/dbraw/zinc/82/59/46/434825946.db2.gz VCLDCGYEMRIKJM-UHFFFAOYSA-N -1 1 312.329 3.493 20 5 DGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000543658790 314148262 /nfs/dbraw/zinc/14/82/62/314148262.db2.gz NKLZIXBUCMJBLF-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1nc(SCCc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000565241971 315246592 /nfs/dbraw/zinc/24/65/92/315246592.db2.gz KEKITRSDXZOPPS-UHFFFAOYSA-N -1 1 319.386 3.296 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865832210 622003223 /nfs/dbraw/zinc/00/32/23/622003223.db2.gz LIEYSXSWXFFDEC-VXGBXAGGSA-N -1 1 316.279 3.287 20 5 DGBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790937930 625718976 /nfs/dbraw/zinc/71/89/76/625718976.db2.gz GNUMGXFHXQVGNK-UHFFFAOYSA-N -1 1 319.292 3.468 20 5 DGBDMM Cc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822345705 628443114 /nfs/dbraw/zinc/44/31/14/628443114.db2.gz PRHWRCQGVOUQPL-LLVKDONJSA-N -1 1 324.344 3.256 20 5 DGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000007405664 657514860 /nfs/dbraw/zinc/51/48/60/657514860.db2.gz RIBPKMQYFACKAK-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=C(c1ccccc1[O-])N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585125864 1192243197 /nfs/dbraw/zinc/24/31/97/1192243197.db2.gz SZAUSJCFTFIHEM-UHFFFAOYSA-N -1 1 312.325 3.284 20 5 DGBDMM CC1(C)CCC(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001590090159 1192487355 /nfs/dbraw/zinc/48/73/55/1192487355.db2.gz DZVKYDMBPZMXDS-UHFFFAOYSA-N -1 1 322.394 3.217 20 5 DGBDMM CC1(C)CCC(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001590090159 1192487357 /nfs/dbraw/zinc/48/73/57/1192487357.db2.gz DZVKYDMBPZMXDS-UHFFFAOYSA-N -1 1 322.394 3.217 20 5 DGBDMM CC[C@@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590406949 1192506499 /nfs/dbraw/zinc/50/64/99/1192506499.db2.gz VENXAKSFUKNVKF-NXEZZACHSA-N -1 1 304.354 3.012 20 5 DGBDMM CC[C@@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590406949 1192506504 /nfs/dbraw/zinc/50/65/04/1192506504.db2.gz VENXAKSFUKNVKF-NXEZZACHSA-N -1 1 304.354 3.012 20 5 DGBDMM O=[N+]([O-])c1c(Nc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC001593469099 1192631878 /nfs/dbraw/zinc/63/18/78/1192631878.db2.gz NIBPZNGWKFXOEW-UHFFFAOYSA-N -1 1 316.708 3.172 20 5 DGBDMM O=[N+]([O-])c1c(Nc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC001593469099 1192631879 /nfs/dbraw/zinc/63/18/79/1192631879.db2.gz NIBPZNGWKFXOEW-UHFFFAOYSA-N -1 1 316.708 3.172 20 5 DGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(F)c([O-])cc1Cl ZINC001598583090 1192776544 /nfs/dbraw/zinc/77/65/44/1192776544.db2.gz WUUQSZQYMXMDFF-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM CC(C)=CCC[C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603186693 1193010252 /nfs/dbraw/zinc/01/02/52/1193010252.db2.gz YOTJJNAGVWNUKI-VIFPVBQESA-N -1 1 322.394 3.383 20 5 DGBDMM CC(C)=CCC[C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603186693 1193010255 /nfs/dbraw/zinc/01/02/55/1193010255.db2.gz YOTJJNAGVWNUKI-VIFPVBQESA-N -1 1 322.394 3.383 20 5 DGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001603683486 1193025739 /nfs/dbraw/zinc/02/57/39/1193025739.db2.gz KXCXUJBBZBCEPX-MRVPVSSYSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001603683486 1193025744 /nfs/dbraw/zinc/02/57/44/1193025744.db2.gz KXCXUJBBZBCEPX-MRVPVSSYSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H](C)C1 ZINC001603880203 1193036604 /nfs/dbraw/zinc/03/66/04/1193036604.db2.gz FMIRLTSOPIDOEI-IWSPIJDZSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H](C)C1 ZINC001603880203 1193036609 /nfs/dbraw/zinc/03/66/09/1193036609.db2.gz FMIRLTSOPIDOEI-IWSPIJDZSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H](NCc1csc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001604348415 1193069189 /nfs/dbraw/zinc/06/91/89/1193069189.db2.gz MZSYVBKCYPCJSV-SECBINFHSA-N -1 1 306.343 3.205 20 5 DGBDMM Cc1cc(C(=O)NCc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001455442134 1182369583 /nfs/dbraw/zinc/36/95/83/1182369583.db2.gz UFVSJNGSQDDGMP-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001455714454 1182380795 /nfs/dbraw/zinc/38/07/95/1182380795.db2.gz WATOFOWOLNSMNK-VIFPVBQESA-N -1 1 320.732 3.445 20 5 DGBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc(F)ccc1[O-] ZINC001466631765 1183215537 /nfs/dbraw/zinc/21/55/37/1183215537.db2.gz XYEHUQXSNUNEQW-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1cccc(Cl)c1 ZINC001607088814 1193211001 /nfs/dbraw/zinc/21/10/01/1193211001.db2.gz XYQUNNORYWANGP-UHFFFAOYSA-N -1 1 323.721 3.282 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1cccc(Cl)c1 ZINC001607088814 1193211003 /nfs/dbraw/zinc/21/10/03/1193211003.db2.gz XYQUNNORYWANGP-UHFFFAOYSA-N -1 1 323.721 3.282 20 5 DGBDMM Cc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC001471243717 1183549802 /nfs/dbraw/zinc/54/98/02/1183549802.db2.gz WRQZOWZWPBIGBR-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001607752281 1193253980 /nfs/dbraw/zinc/25/39/80/1193253980.db2.gz XIFAIMAPFAQMBP-SNVBAGLBSA-N -1 1 318.329 3.354 20 5 DGBDMM Cc1ccc([O-])c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001611515730 1193436177 /nfs/dbraw/zinc/43/61/77/1193436177.db2.gz NBJYXVXHMCVDDG-UHFFFAOYSA-N -1 1 323.308 3.409 20 5 DGBDMM Cc1ccc([C@H](C)NC(=O)c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC001544886038 1188413725 /nfs/dbraw/zinc/41/37/25/1188413725.db2.gz VKANXAWRUSFWGJ-JTQLQIEISA-N -1 1 318.304 3.239 20 5 DGBDMM C[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001575971621 1191521051 /nfs/dbraw/zinc/52/10/51/1191521051.db2.gz ZWUYNUXPKGPENA-URLYPYJESA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001575971621 1191521052 /nfs/dbraw/zinc/52/10/52/1191521052.db2.gz ZWUYNUXPKGPENA-URLYPYJESA-N -1 1 316.365 3.012 20 5 DGBDMM CC[C@H](NC(=O)c1ccc(F)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001637601429 1194677602 /nfs/dbraw/zinc/67/76/02/1194677602.db2.gz VTTJVUBCOOVXIZ-AWEZNQCLSA-N -1 1 318.304 3.321 20 5 DGBDMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001654505639 1195810950 /nfs/dbraw/zinc/81/09/50/1195810950.db2.gz NKJJSCWUEZUITL-VXGBXAGGSA-N -1 1 321.377 3.030 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H]1C ZINC001576153531 949292635 /nfs/dbraw/zinc/29/26/35/949292635.db2.gz MYHDIWYROVQHAO-FOGDFJRCSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H]1C ZINC001576153531 949292665 /nfs/dbraw/zinc/29/26/65/949292665.db2.gz MYHDIWYROVQHAO-FOGDFJRCSA-N -1 1 316.365 3.012 20 5 DGBDMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001648851144 1081943923 /nfs/dbraw/zinc/94/39/23/1081943923.db2.gz WNVRDEQLFPSHAB-VXGBXAGGSA-N -1 1 316.288 3.182 20 5 DGBDMM COC(=O)c1csc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394073 1093151638 /nfs/dbraw/zinc/15/16/38/1093151638.db2.gz MVERDDVUULRVPN-UHFFFAOYSA-N -1 1 308.315 3.201 20 5 DGBDMM Nc1cc(Cl)nc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392190 1093151748 /nfs/dbraw/zinc/15/17/48/1093151748.db2.gz ANNDEHTWMJMRSC-UHFFFAOYSA-N -1 1 315.116 3.328 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccnn2Cc2ccccc2)ccc1[O-] ZINC001210392423 1093152292 /nfs/dbraw/zinc/15/22/92/1093152292.db2.gz DDJKZVWMXXKRAG-UHFFFAOYSA-N -1 1 310.313 3.289 20 5 DGBDMM Cc1c(Nc2c([O-])cccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211295604 1093448351 /nfs/dbraw/zinc/44/83/51/1093448351.db2.gz OHZVXAAKJHFYLN-UHFFFAOYSA-N -1 1 307.237 3.400 20 5 DGBDMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001225679562 1096502565 /nfs/dbraw/zinc/50/25/65/1096502565.db2.gz QKWLAGQLSOSHRL-JTQLQIEISA-N -1 1 317.297 3.349 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCCC[C@H]1F ZINC001228860533 1097205464 /nfs/dbraw/zinc/20/54/64/1097205464.db2.gz VPKVXZXYVLIJKO-SVRRBLITSA-N -1 1 324.230 3.374 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228860642 1097205666 /nfs/dbraw/zinc/20/56/66/1097205666.db2.gz WRLZQXMVBCITFS-LKEWCRSYSA-N -1 1 316.235 3.058 20 5 DGBDMM Cc1nc(O[C@@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380287 1097310022 /nfs/dbraw/zinc/31/00/22/1097310022.db2.gz KBIRXOCTBUWONY-ZETCQYMHSA-N -1 1 309.709 3.192 20 5 DGBDMM COc1ccc(OC)c([C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229396481 1097312474 /nfs/dbraw/zinc/31/24/74/1097312474.db2.gz UXJXBSJCCNGPND-SNVBAGLBSA-N -1 1 319.313 3.458 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2C[C@H](OCc3ccccc3)C2)c1 ZINC001229398801 1097312912 /nfs/dbraw/zinc/31/29/12/1097312912.db2.gz ASZMRVZSHSYRDD-SHTZXODSSA-N -1 1 315.325 3.427 20 5 DGBDMM O=c1c2ccc([O-])cc2oc2cc(OC[C@H]3CCCO3)ccc12 ZINC001229518786 1097338140 /nfs/dbraw/zinc/33/81/40/1097338140.db2.gz XJVZQBYRXSMGRD-CYBMUJFWSA-N -1 1 312.321 3.210 20 5 DGBDMM Cc1cc([O-])c(O[C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC001229750739 1097376267 /nfs/dbraw/zinc/37/62/67/1097376267.db2.gz RDWGTORXFNCRTC-GFCCVEGCSA-N -1 1 303.314 3.455 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001231263954 1097706569 /nfs/dbraw/zinc/70/65/69/1097706569.db2.gz NUVVXJZGLCBAGM-VIFPVBQESA-N -1 1 319.273 3.052 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001231264819 1097708060 /nfs/dbraw/zinc/70/80/60/1097708060.db2.gz VGOOIXOJBAJEDB-SECBINFHSA-N -1 1 319.273 3.052 20 5 DGBDMM COc1cc([N+](=O)[O-])cc(-c2nc3ccc(C)c(C)c3[nH]2)c1[O-] ZINC001250820206 1105589798 /nfs/dbraw/zinc/58/97/98/1105589798.db2.gz QKVOGDBWOWQSOQ-UHFFFAOYSA-N -1 1 313.313 3.469 20 5 DGBDMM COc1cc(-c2nc3c(cc(F)cc3C)[nH]2)cc([N+](=O)[O-])c1[O-] ZINC001250873522 1105597221 /nfs/dbraw/zinc/59/72/21/1105597221.db2.gz ALXWKZHPTDSQFM-UHFFFAOYSA-N -1 1 317.276 3.300 20 5 DGBDMM CCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000129236447 432002703 /nfs/dbraw/zinc/00/27/03/432002703.db2.gz ARLRVSBPTJAMGS-UHFFFAOYSA-N -1 1 320.276 3.091 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000093930665 193329774 /nfs/dbraw/zinc/32/97/74/193329774.db2.gz QKXLXYCGGQQIOV-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000343848717 254195943 /nfs/dbraw/zinc/19/59/43/254195943.db2.gz XXGHNTDZZXKETB-UHFFFAOYSA-N -1 1 317.198 3.333 20 5 DGBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182026 432201680 /nfs/dbraw/zinc/20/16/80/432201680.db2.gz OMCFCBUYDFRWMX-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC[C@H](C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000346955224 264126556 /nfs/dbraw/zinc/12/65/56/264126556.db2.gz OASNLZNXATZFHW-JTQLQIEISA-N -1 1 303.318 3.353 20 5 DGBDMM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347245998 264182570 /nfs/dbraw/zinc/18/25/70/264182570.db2.gz WANBBHWNOPIITH-UHFFFAOYSA-N -1 1 306.297 3.135 20 5 DGBDMM CC(C)Oc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356254015 266333009 /nfs/dbraw/zinc/33/30/09/266333009.db2.gz BIFFXLATYGVCII-UHFFFAOYSA-N -1 1 314.301 3.427 20 5 DGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C ZINC000014256008 431588870 /nfs/dbraw/zinc/58/88/70/431588870.db2.gz LHHYVGZLFLLMKP-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089446815 431866185 /nfs/dbraw/zinc/86/61/85/431866185.db2.gz QUGBXIBPJLVFDL-UHFFFAOYSA-N -1 1 309.709 3.359 20 5 DGBDMM COc1ccc([O-])c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 ZINC000350867879 433309651 /nfs/dbraw/zinc/30/96/51/433309651.db2.gz JSIDNHUBFGOVLM-UHFFFAOYSA-N -1 1 319.298 3.088 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340427132 434121873 /nfs/dbraw/zinc/12/18/73/434121873.db2.gz KZWMVKKMFLHLKI-UHFFFAOYSA-N -1 1 315.285 3.452 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCSC[C@@H]1C1CCC1 ZINC000418120352 434592814 /nfs/dbraw/zinc/59/28/14/434592814.db2.gz BBPAAGVRFIKFAK-OAHLLOKOSA-N -1 1 308.403 3.018 20 5 DGBDMM O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445457548 434804237 /nfs/dbraw/zinc/80/42/37/434804237.db2.gz YPRLXZWPJPMMMV-UHFFFAOYSA-N -1 1 319.223 3.296 20 5 DGBDMM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725828451 575922991 /nfs/dbraw/zinc/92/29/91/575922991.db2.gz IGBPYVAUBALWHY-JTQLQIEISA-N -1 1 320.798 3.105 20 5 DGBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1scnc1Cl ZINC000726914931 576076783 /nfs/dbraw/zinc/07/67/83/576076783.db2.gz DCUNZWIDPSPWJW-UHFFFAOYSA-N -1 1 301.686 3.096 20 5 DGBDMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000111668520 620745966 /nfs/dbraw/zinc/74/59/66/620745966.db2.gz IHSLXFHMFGBJNP-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000920044635 620778065 /nfs/dbraw/zinc/77/80/65/620778065.db2.gz ORMJPJXEESDDEF-JTQLQIEISA-N -1 1 320.436 3.294 20 5 DGBDMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000920453326 620801771 /nfs/dbraw/zinc/80/17/71/620801771.db2.gz CYGKDNGXOBSWPI-SECBINFHSA-N -1 1 320.732 3.445 20 5 DGBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000766618759 622342788 /nfs/dbraw/zinc/34/27/88/622342788.db2.gz CNDLRMDCHZZZCX-UHFFFAOYSA-N -1 1 305.265 3.160 20 5 DGBDMM CCc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000789930251 625582321 /nfs/dbraw/zinc/58/23/21/625582321.db2.gz PJULCASKLSZWJU-UHFFFAOYSA-N -1 1 321.720 3.164 20 5 DGBDMM O=c1cc(C2CC2)nc(S/C=C/c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000789971127 625588527 /nfs/dbraw/zinc/58/85/27/625588527.db2.gz UYHSPXNOJUOMJS-AATRIKPKSA-N -1 1 305.315 3.324 20 5 DGBDMM C[C@H](C1CC1)n1cc([N-]c2nc3ccccn3c2[N+](=O)[O-])cn1 ZINC000777792062 623568642 /nfs/dbraw/zinc/56/86/42/623568642.db2.gz FTEYHGJGWRVEJV-SNVBAGLBSA-N -1 1 312.333 3.154 20 5 DGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000780068018 623856805 /nfs/dbraw/zinc/85/68/05/623856805.db2.gz JAYYTORIAWAOCZ-QMMMGPOBSA-N -1 1 323.251 3.497 20 5 DGBDMM O=C(OCc1cc2ccccc2o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071195 623857268 /nfs/dbraw/zinc/85/72/68/623857268.db2.gz DVLDMKNRLALSRJ-UHFFFAOYSA-N -1 1 313.265 3.404 20 5 DGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000780072182 623857282 /nfs/dbraw/zinc/85/72/82/623857282.db2.gz NRYIBCNOFUJVJN-VIFPVBQESA-N -1 1 305.261 3.358 20 5 DGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1coc(C2CC2)n1 ZINC000800150687 626814065 /nfs/dbraw/zinc/81/40/65/626814065.db2.gz ZGQHLDOFRPVSBP-UHFFFAOYSA-N -1 1 305.265 3.160 20 5 DGBDMM Cc1cccc(Oc2cccc(F)c2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300605 628841917 /nfs/dbraw/zinc/84/19/17/628841917.db2.gz BBJSCWIYHKYHIT-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM Cc1cccc(Oc2cccc(F)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300605 628841920 /nfs/dbraw/zinc/84/19/20/628841920.db2.gz BBJSCWIYHKYHIT-UHFFFAOYSA-N -1 1 315.264 3.015 20 5 DGBDMM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000833498261 629612086 /nfs/dbraw/zinc/61/20/86/629612086.db2.gz KZKFUHALOULMNR-UHFFFAOYSA-N -1 1 317.345 3.032 20 5 DGBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CCCCC1 ZINC001589981796 1192480983 /nfs/dbraw/zinc/48/09/83/1192480983.db2.gz UMUDNKITTSIBSH-QMMMGPOBSA-N -1 1 322.394 3.217 20 5 DGBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CCCCC1 ZINC001589981796 1192480984 /nfs/dbraw/zinc/48/09/84/1192480984.db2.gz UMUDNKITTSIBSH-QMMMGPOBSA-N -1 1 322.394 3.217 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H]1C ZINC001590249107 1192498112 /nfs/dbraw/zinc/49/81/12/1192498112.db2.gz BGMHIZOAHLVNBJ-HLTSFMKQSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H]1C ZINC001590249107 1192498113 /nfs/dbraw/zinc/49/81/13/1192498113.db2.gz BGMHIZOAHLVNBJ-HLTSFMKQSA-N -1 1 322.394 3.073 20 5 DGBDMM Cc1ccccc1Sc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592258881 1192604058 /nfs/dbraw/zinc/60/40/58/1192604058.db2.gz CGDPYXAHMJDKLB-UHFFFAOYSA-N -1 1 319.371 3.296 20 5 DGBDMM Cc1ccccc1Sc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592258881 1192604063 /nfs/dbraw/zinc/60/40/63/1192604063.db2.gz CGDPYXAHMJDKLB-UHFFFAOYSA-N -1 1 319.371 3.296 20 5 DGBDMM CC1(C)C=Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2O1 ZINC001454284273 1182335330 /nfs/dbraw/zinc/33/53/30/1182335330.db2.gz GMILUZFNYNPFEA-UHFFFAOYSA-N -1 1 313.313 3.359 20 5 DGBDMM Cc1ccc(CSc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])o1 ZINC001605860071 1193180884 /nfs/dbraw/zinc/18/08/84/1193180884.db2.gz ZKXHSZYSUKSFBP-UHFFFAOYSA-N -1 1 323.359 3.030 20 5 DGBDMM Cc1ccc(CSc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])o1 ZINC001605860071 1193180889 /nfs/dbraw/zinc/18/08/89/1193180889.db2.gz ZKXHSZYSUKSFBP-UHFFFAOYSA-N -1 1 323.359 3.030 20 5 DGBDMM CC(C)CCn1ccc([N-]c2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001639769656 1194780637 /nfs/dbraw/zinc/78/06/37/1194780637.db2.gz RQHZNCQKQQVABH-UHFFFAOYSA-N -1 1 309.757 3.051 20 5 DGBDMM CC[C@H]1CCCc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC001648273139 1195287635 /nfs/dbraw/zinc/28/76/35/1195287635.db2.gz WJWNHOLWDGDOOX-QMMMGPOBSA-N -1 1 320.374 3.462 20 5 DGBDMM C[C@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001576152227 949250071 /nfs/dbraw/zinc/25/00/71/949250071.db2.gz JELZJDRQOUCNTR-IUCAKERBSA-N -1 1 322.394 3.075 20 5 DGBDMM C[C@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001576152227 949250088 /nfs/dbraw/zinc/25/00/88/949250088.db2.gz JELZJDRQOUCNTR-IUCAKERBSA-N -1 1 322.394 3.075 20 5 DGBDMM CN(CCC(C)(C)C(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC001598472244 992045799 /nfs/dbraw/zinc/04/57/99/992045799.db2.gz NYCLKSRVFYZKLG-UHFFFAOYSA-N -1 1 314.769 3.181 20 5 DGBDMM C[C@@H](CCC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001182688378 1083779694 /nfs/dbraw/zinc/77/96/94/1083779694.db2.gz LPTXUSSRGBDWJO-NSHDSACASA-N -1 1 321.377 3.174 20 5 DGBDMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)cc([N+](=O)[O-])c1 ZINC001297819950 1091970243 /nfs/dbraw/zinc/97/02/43/1091970243.db2.gz JSFXWQTUJSDMDL-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)ccc1[N+](=O)[O-] ZINC001298971093 1092134746 /nfs/dbraw/zinc/13/47/46/1092134746.db2.gz PCQXYNRDKQJXGT-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM COC(=O)c1c(C)csc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394470 1093152339 /nfs/dbraw/zinc/15/23/39/1093152339.db2.gz WIYAAACJNXLBJL-UHFFFAOYSA-N -1 1 308.315 3.201 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cncc(Br)c2)ccc1[O-] ZINC001210392688 1093152370 /nfs/dbraw/zinc/15/23/70/1093152370.db2.gz IBOZNFUANCLRCZ-UHFFFAOYSA-N -1 1 310.107 3.202 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccc(OCC3CC3)nc2)ccc1[O-] ZINC001210395937 1093153071 /nfs/dbraw/zinc/15/30/71/1093153071.db2.gz KCGCQYZSTPCDCQ-UHFFFAOYSA-N -1 1 301.302 3.228 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnc(Br)s2)ccc1[O-] ZINC001210395715 1093153461 /nfs/dbraw/zinc/15/34/61/1093153461.db2.gz CUTHOAUBCFSXPQ-UHFFFAOYSA-N -1 1 316.136 3.263 20 5 DGBDMM CC(C)c1nnc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn21 ZINC001210396768 1093153704 /nfs/dbraw/zinc/15/37/04/1093153704.db2.gz ZRIXIJXREHGZDH-UHFFFAOYSA-N -1 1 313.317 3.210 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001211287921 1093444518 /nfs/dbraw/zinc/44/45/18/1093444518.db2.gz YPLYBPVEDQNTOM-UHFFFAOYSA-N -1 1 312.281 3.459 20 5 DGBDMM Cc1ccc(Nc2cccc(C(=O)N(C)C)c2[O-])cc1[N+](=O)[O-] ZINC001213672452 1093638647 /nfs/dbraw/zinc/63/86/47/1093638647.db2.gz FOQKAAHDMBFNOP-UHFFFAOYSA-N -1 1 315.329 3.054 20 5 DGBDMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001225679112 1096502435 /nfs/dbraw/zinc/50/24/35/1096502435.db2.gz NKRKIVJCHGSTRW-JTQLQIEISA-N -1 1 317.297 3.349 20 5 DGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001228860244 1097205385 /nfs/dbraw/zinc/20/53/85/1097205385.db2.gz RPYHBWMMUOPEIB-BKPPORCPSA-N -1 1 318.251 3.282 20 5 DGBDMM Cc1cccc(OC[C@@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001229396806 1097313116 /nfs/dbraw/zinc/31/31/16/1097313116.db2.gz ZCCDMIJABAACRO-GFCCVEGCSA-N -1 1 303.314 3.455 20 5 DGBDMM CC[C@H](COc1ccc2c(c1)oc1cc([O-])ccc1c2=O)OC ZINC001229517798 1097337494 /nfs/dbraw/zinc/33/74/94/1097337494.db2.gz QHXRCTRKMBSTFA-GFCCVEGCSA-N -1 1 314.337 3.456 20 5 DGBDMM Cc1cc([O-])c(O[C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC001229749635 1097376667 /nfs/dbraw/zinc/37/66/67/1097376667.db2.gz GCSOVDQVGKYMTI-MRXNPFEDSA-N -1 1 301.298 3.259 20 5 DGBDMM COC(=O)C[C@@H]1CCC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229754845 1097378424 /nfs/dbraw/zinc/37/84/24/1097378424.db2.gz UCOSMDUFQNPPJH-NEPJUHHUSA-N -1 1 323.345 3.110 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCc3c2cccc3C)n1 ZINC001231259106 1097705581 /nfs/dbraw/zinc/70/55/81/1097705581.db2.gz GBMOUUWVMQUVHO-CQSZACIVSA-N -1 1 300.314 3.379 20 5 DGBDMM O=c1ccn(-c2ccc(NCc3cccc([N+](=O)[O-])c3)cc2)[n-]1 ZINC001179308354 1099059502 /nfs/dbraw/zinc/05/95/02/1099059502.db2.gz PADUVVXOPRJWKV-UHFFFAOYSA-N -1 1 310.313 3.098 20 5 DGBDMM COc1ccc(C(C)=O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223728 1102532305 /nfs/dbraw/zinc/53/23/05/1102532305.db2.gz FMEMWUFWVCCCNC-UHFFFAOYSA-N -1 1 302.286 3.255 20 5 DGBDMM Cc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c2ccccc12 ZINC001212892978 1103339603 /nfs/dbraw/zinc/33/96/03/1103339603.db2.gz GYOGQWAGWNOUSR-UHFFFAOYSA-N -1 1 321.296 3.497 20 5 DGBDMM CC[C@H](COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(F)F ZINC001327099856 1103520083 /nfs/dbraw/zinc/52/00/83/1103520083.db2.gz XQDLPCGHFHMMDL-QMMMGPOBSA-N -1 1 303.261 3.139 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)CCC4)c([O-])cc1O ZINC001251082209 1105627283 /nfs/dbraw/zinc/62/72/83/1105627283.db2.gz DBAIOBGHZGOXAI-UHFFFAOYSA-N -1 1 311.297 3.038 20 5 DGBDMM O=[N+]([O-])c1cccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)c1[O-] ZINC001251271349 1105646229 /nfs/dbraw/zinc/64/62/29/1105646229.db2.gz BOEOOFZFLOFELM-UHFFFAOYSA-N -1 1 324.340 3.444 20 5 DGBDMM O=[N+]([O-])c1nc[n-]c1-c1nnc(-c2ccc3ccccc3c2)o1 ZINC001256037057 1106359793 /nfs/dbraw/zinc/35/97/93/1106359793.db2.gz CFHXFIRWOZORPP-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)ccc1F ZINC000093930693 284014975 /nfs/dbraw/zinc/01/49/75/284014975.db2.gz PMCXUUCIHLHUEV-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000488432821 245192192 /nfs/dbraw/zinc/19/21/92/245192192.db2.gz QEIJDDOQEOOJBB-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM C[N@@H+](CCCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338906584 253367015 /nfs/dbraw/zinc/36/70/15/253367015.db2.gz WMQFFSVJKVQXTR-UHFFFAOYSA-N -1 1 300.358 3.365 20 5 DGBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1[O-] ZINC000006584466 400093932 /nfs/dbraw/zinc/09/39/32/400093932.db2.gz RJSWLDBJUCRYQT-UHFFFAOYSA-N -1 1 322.320 3.384 20 5 DGBDMM Cc1cc(NCCc2n[n-]c(=S)n2C(C)C)ccc1[N+](=O)[O-] ZINC000092655466 400190535 /nfs/dbraw/zinc/19/05/35/400190535.db2.gz FGANWSPCVBTZKZ-UHFFFAOYSA-N -1 1 321.406 3.393 20 5 DGBDMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000617754689 400446787 /nfs/dbraw/zinc/44/67/87/400446787.db2.gz HZZPOIFCSFQBRR-VIFPVBQESA-N -1 1 304.277 3.182 20 5 DGBDMM COc1cccc([C@@H](C)c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000612917578 400626172 /nfs/dbraw/zinc/62/61/72/400626172.db2.gz ODBQXAFLEWEESG-SECBINFHSA-N -1 1 314.301 3.133 20 5 DGBDMM Cc1ccnc(C(C)(C)c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000599184337 400991621 /nfs/dbraw/zinc/99/16/21/400991621.db2.gz AEYKFMAGVWLUCZ-UHFFFAOYSA-N -1 1 313.317 3.002 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(Cl)c3)no2)[n-]1 ZINC000356019364 266258044 /nfs/dbraw/zinc/25/80/44/266258044.db2.gz ITHLAIGWIASESQ-UHFFFAOYSA-N -1 1 304.693 3.217 20 5 DGBDMM O=C([N-]c1c(F)cc(F)cc1F)c1csc([N+](=O)[O-])c1 ZINC000072505379 431338444 /nfs/dbraw/zinc/33/84/44/431338444.db2.gz CYHIDAHNJOUSAD-UHFFFAOYSA-N -1 1 302.233 3.326 20 5 DGBDMM CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263382027 432538099 /nfs/dbraw/zinc/53/80/99/432538099.db2.gz BWEQZWULNVICHI-CYBMUJFWSA-N -1 1 306.362 3.015 20 5 DGBDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000188114748 432705903 /nfs/dbraw/zinc/70/59/03/432705903.db2.gz IJIIYTYBJIQWRY-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM Cc1ccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000436579855 434021079 /nfs/dbraw/zinc/02/10/79/434021079.db2.gz ZPMMFZZTRYTJFJ-JTQLQIEISA-N -1 1 318.304 3.239 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)c4ccccc34)no2)[n-]1 ZINC000436618891 434039343 /nfs/dbraw/zinc/03/93/43/434039343.db2.gz PDHMOYVKVYGURS-UHFFFAOYSA-N -1 1 322.280 3.499 20 5 DGBDMM Cc1ccccc1S(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C ZINC000318228473 434207140 /nfs/dbraw/zinc/20/71/40/434207140.db2.gz HEMRREITLWYZCO-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=[N+]([O-])c1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445454800 434801468 /nfs/dbraw/zinc/80/14/68/434801468.db2.gz ATPCHTUNOVSAJR-UHFFFAOYSA-N -1 1 301.233 3.157 20 5 DGBDMM O=[N+]([O-])c1cccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445489803 434805628 /nfs/dbraw/zinc/80/56/28/434805628.db2.gz ZZUKESDATUGTEI-UHFFFAOYSA-N -1 1 315.260 3.080 20 5 DGBDMM Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000548598051 435703173 /nfs/dbraw/zinc/70/31/73/435703173.db2.gz IRLSWCJZEKIYFH-UHFFFAOYSA-N -1 1 315.260 3.465 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000491604824 435777358 /nfs/dbraw/zinc/77/73/58/435777358.db2.gz PNGWAHBBKIYONK-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000566651273 315365100 /nfs/dbraw/zinc/36/51/00/315365100.db2.gz FKGCENMQJWCBDA-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3nccc4ccccc43)no2)[n-]1 ZINC000350844067 323505840 /nfs/dbraw/zinc/50/58/40/323505840.db2.gz BIIRTRMGXAQTKO-UHFFFAOYSA-N -1 1 321.296 3.112 20 5 DGBDMM Cc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000156613587 534833387 /nfs/dbraw/zinc/83/33/87/534833387.db2.gz STBHQZOJERFORY-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCCC[C@H](CCC)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994075 528919595 /nfs/dbraw/zinc/91/95/95/528919595.db2.gz CCARUKQYCBVVCQ-NSHDSACASA-N -1 1 309.366 3.032 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000743415738 575049633 /nfs/dbraw/zinc/04/96/33/575049633.db2.gz KDHUSXGNRMNXOY-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263447197 604475601 /nfs/dbraw/zinc/47/56/01/604475601.db2.gz YENPZXIUHQZFBQ-UHFFFAOYSA-N -1 1 318.329 3.151 20 5 DGBDMM O=C(Nc1nnc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918683442 620719030 /nfs/dbraw/zinc/71/90/30/620719030.db2.gz KHGLNRZMRUFDEY-UHFFFAOYSA-N -1 1 321.362 3.074 20 5 DGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666910 620745973 /nfs/dbraw/zinc/74/59/73/620745973.db2.gz AVCCGKOGQNRLKO-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CC(C)c1ccc(CN2CCC(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000901420062 619499000 /nfs/dbraw/zinc/49/90/00/619499000.db2.gz ZEECPSLRNWMRKB-UHFFFAOYSA-N -1 1 320.389 3.405 20 5 DGBDMM CCc1cc(=O)[n-]c(SCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000865364007 621901916 /nfs/dbraw/zinc/90/19/16/621901916.db2.gz ZGNKTLOVIYBZRV-UHFFFAOYSA-N -1 1 305.359 3.254 20 5 DGBDMM CNc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC000765602589 622275973 /nfs/dbraw/zinc/27/59/73/622275973.db2.gz BKLKBMYYNQJBCE-UHFFFAOYSA-N -1 1 321.720 3.248 20 5 DGBDMM CC(C)CCCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776328678 623412177 /nfs/dbraw/zinc/41/21/77/623412177.db2.gz YRQCUEXXBFIZQD-UHFFFAOYSA-N -1 1 309.366 3.032 20 5 DGBDMM C[C@@H](C1CC1)n1cc([N-]c2nc3ccccn3c2[N+](=O)[O-])cn1 ZINC000777792058 623568520 /nfs/dbraw/zinc/56/85/20/623568520.db2.gz FTEYHGJGWRVEJV-JTQLQIEISA-N -1 1 312.333 3.154 20 5 DGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000780072296 623857315 /nfs/dbraw/zinc/85/73/15/623857315.db2.gz OWBKFYUZLUFTGY-QMMMGPOBSA-N -1 1 323.251 3.497 20 5 DGBDMM O=C(OCc1cnc2ccccc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000798636641 626233709 /nfs/dbraw/zinc/23/37/09/626233709.db2.gz NDCOATTUBSGSGH-UHFFFAOYSA-N -1 1 324.292 3.206 20 5 DGBDMM Cc1conc1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813492876 627493866 /nfs/dbraw/zinc/49/38/66/627493866.db2.gz QMZCSCIBEPEQMO-UHFFFAOYSA-N -1 1 316.100 3.450 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843842416 630701876 /nfs/dbraw/zinc/70/18/76/630701876.db2.gz SHGVOYONKRYXPZ-UHFFFAOYSA-N -1 1 307.281 3.153 20 5 DGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000008105607 658203533 /nfs/dbraw/zinc/20/35/33/658203533.db2.gz FCHAUWGLDWCNMO-UHFFFAOYSA-N -1 1 324.333 3.097 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000089392627 662243105 /nfs/dbraw/zinc/24/31/05/662243105.db2.gz XNOGHXSRFKTLRE-UHFFFAOYSA-N -1 1 309.709 3.359 20 5 DGBDMM CC1(C)CCC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590094719 1192487502 /nfs/dbraw/zinc/48/75/02/1192487502.db2.gz SEKLSHUSTAWLPD-MRVPVSSYSA-N -1 1 322.394 3.217 20 5 DGBDMM CC1(C)CCC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590094719 1192487505 /nfs/dbraw/zinc/48/75/05/1192487505.db2.gz SEKLSHUSTAWLPD-MRVPVSSYSA-N -1 1 322.394 3.217 20 5 DGBDMM CC1(C)CCC[C@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590094134 1192487649 /nfs/dbraw/zinc/48/76/49/1192487649.db2.gz ACHUMTVFTNSRND-JTQLQIEISA-N -1 1 316.365 3.013 20 5 DGBDMM CC1(C)CCC[C@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590094134 1192487652 /nfs/dbraw/zinc/48/76/52/1192487652.db2.gz ACHUMTVFTNSRND-JTQLQIEISA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]1C ZINC001590249108 1192496941 /nfs/dbraw/zinc/49/69/41/1192496941.db2.gz BGMHIZOAHLVNBJ-HRDYMLBCSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]1C ZINC001590249108 1192496954 /nfs/dbraw/zinc/49/69/54/1192496954.db2.gz BGMHIZOAHLVNBJ-HRDYMLBCSA-N -1 1 322.394 3.073 20 5 DGBDMM CC1(C)CCCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603777554 1193031375 /nfs/dbraw/zinc/03/13/75/1193031375.db2.gz FKFZMOCAAWSDTR-JTQLQIEISA-N -1 1 322.394 3.217 20 5 DGBDMM CC1(C)CCCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603777554 1193031378 /nfs/dbraw/zinc/03/13/78/1193031378.db2.gz FKFZMOCAAWSDTR-JTQLQIEISA-N -1 1 322.394 3.217 20 5 DGBDMM C[C@H]1CC(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](C)C1 ZINC001603847356 1193034415 /nfs/dbraw/zinc/03/44/15/1193034415.db2.gz YHBLEKRPMCWWIJ-HTQZYQBOSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@H]1CC(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](C)C1 ZINC001603847356 1193034416 /nfs/dbraw/zinc/03/44/16/1193034416.db2.gz YHBLEKRPMCWWIJ-HTQZYQBOSA-N -1 1 322.394 3.073 20 5 DGBDMM Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC001450902193 1182258731 /nfs/dbraw/zinc/25/87/31/1182258731.db2.gz OJNGHSZBAVBING-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001472193339 1183624642 /nfs/dbraw/zinc/62/46/42/1183624642.db2.gz WKFDHVMCELZUNW-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001472374246 1183639771 /nfs/dbraw/zinc/63/97/71/1183639771.db2.gz HPHARZTZUVMWFZ-UHFFFAOYSA-N -1 1 320.732 3.443 20 5 DGBDMM CCC[C@H](CC)Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609204424 1193330016 /nfs/dbraw/zinc/33/00/16/1193330016.db2.gz CWJLDQCUQULRLP-VIFPVBQESA-N -1 1 307.379 3.446 20 5 DGBDMM CCC[C@H](CC)Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609204424 1193330021 /nfs/dbraw/zinc/33/00/21/1193330021.db2.gz CWJLDQCUQULRLP-VIFPVBQESA-N -1 1 307.379 3.446 20 5 DGBDMM O=[N+]([O-])c1ccc2[nH]c(NCc3ccc([O-])c(Cl)c3)nc2c1 ZINC001612852760 1193462561 /nfs/dbraw/zinc/46/25/61/1193462561.db2.gz BMIBZQNWIRAWLH-UHFFFAOYSA-N -1 1 318.720 3.442 20 5 DGBDMM Cc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC001544886039 1188413422 /nfs/dbraw/zinc/41/34/22/1188413422.db2.gz VKANXAWRUSFWGJ-SNVBAGLBSA-N -1 1 318.304 3.239 20 5 DGBDMM Cc1c(CC(=O)Nc2cc(F)cc(F)c2[O-])cccc1[N+](=O)[O-] ZINC001557087242 1189040442 /nfs/dbraw/zinc/04/04/42/1189040442.db2.gz ZMAVJYYGVYIELE-UHFFFAOYSA-N -1 1 322.267 3.068 20 5 DGBDMM O=C(Nc1cc(F)c([O-])cc1Cl)c1csc([N+](=O)[O-])c1 ZINC001558644057 1189140124 /nfs/dbraw/zinc/14/01/24/1189140124.db2.gz SLVAJXUMKAUCRH-UHFFFAOYSA-N -1 1 316.697 3.407 20 5 DGBDMM O=C(Nc1c([O-])cccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001559012563 1189163059 /nfs/dbraw/zinc/16/30/59/1189163059.db2.gz WVROZVLXXHPTEY-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM COc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1[N+](=O)[O-] ZINC001625092720 1194032133 /nfs/dbraw/zinc/03/21/33/1194032133.db2.gz QJOUVNKGKNDKPB-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1[O-] ZINC001642766825 1194936583 /nfs/dbraw/zinc/93/65/83/1194936583.db2.gz OYNNTMAPIWALFS-TWGQIWQCSA-N -1 1 302.261 3.091 20 5 DGBDMM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC001593194511 994136396 /nfs/dbraw/zinc/13/63/96/994136396.db2.gz ILCRJJGVBIARQJ-TVQRCGJNSA-N -1 1 306.343 3.133 20 5 DGBDMM COc1ncc(Nc2cc([O-])c(Cl)cc2F)cc1[N+](=O)[O-] ZINC001210139087 1093056740 /nfs/dbraw/zinc/05/67/40/1093056740.db2.gz VWVXLDSHXAILKY-UHFFFAOYSA-N -1 1 313.672 3.240 20 5 DGBDMM Cn1nc(-c2ccccc2)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393377 1093151542 /nfs/dbraw/zinc/15/15/42/1093151542.db2.gz RMTLVDJWTAIXGQ-UHFFFAOYSA-N -1 1 310.313 3.445 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2csc(Br)n2)ccc1[O-] ZINC001210393815 1093152463 /nfs/dbraw/zinc/15/24/63/1093152463.db2.gz IRQHBLISMDYHQI-UHFFFAOYSA-N -1 1 316.136 3.263 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccnn2-c2ccccc2F)ccc1[O-] ZINC001210395682 1093153537 /nfs/dbraw/zinc/15/35/37/1093153537.db2.gz AXCQANZMJXVAQZ-UHFFFAOYSA-N -1 1 314.276 3.369 20 5 DGBDMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c([N+](=O)[O-])c1 ZINC001214169212 1093726839 /nfs/dbraw/zinc/72/68/39/1093726839.db2.gz BGGMZQXJVZHMFJ-UHFFFAOYSA-N -1 1 312.281 3.459 20 5 DGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(F)c1[O-] ZINC001171632560 1096931579 /nfs/dbraw/zinc/93/15/79/1096931579.db2.gz FZCCQZFWIMRQHL-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM C[C@H](COc1cc([N+](=O)[O-])ccc1[O-])OCc1ccccc1 ZINC001229394789 1097311532 /nfs/dbraw/zinc/31/15/32/1097311532.db2.gz BXPDOCLRTKJFRK-GFCCVEGCSA-N -1 1 303.314 3.285 20 5 DGBDMM CC(C)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC001229395178 1097312113 /nfs/dbraw/zinc/31/21/13/1097312113.db2.gz FZVFIEWVZICCEJ-ZDUSSCGKSA-N -1 1 311.334 3.046 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCN(c3ccccc3)CC2)c1 ZINC001229396355 1097312524 /nfs/dbraw/zinc/31/25/24/1097312524.db2.gz SJBOWQOGDOHMMY-UHFFFAOYSA-N -1 1 314.341 3.348 20 5 DGBDMM COc1ccc([C@H](C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])c(F)c1 ZINC001231262081 1097706833 /nfs/dbraw/zinc/70/68/33/1097706833.db2.gz CYKUEVPXFFFHGM-VIFPVBQESA-N -1 1 322.292 3.292 20 5 DGBDMM C[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cncnc1 ZINC001233498635 1098352828 /nfs/dbraw/zinc/35/28/28/1098352828.db2.gz MUMSDGAPIJBAFE-SSDOTTSWSA-N -1 1 319.708 3.055 20 5 DGBDMM CCCOC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500431 1098352867 /nfs/dbraw/zinc/35/28/67/1098352867.db2.gz SNXWMVXIFNWSQQ-QMMMGPOBSA-N -1 1 313.741 3.318 20 5 DGBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@H]3C=CCC3)c12 ZINC001234740870 1098657765 /nfs/dbraw/zinc/65/77/65/1098657765.db2.gz BVSDCQHRMSQDEE-NSHDSACASA-N -1 1 310.305 3.455 20 5 DGBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H]3C=CCC3)c12 ZINC001234740868 1098658174 /nfs/dbraw/zinc/65/81/74/1098658174.db2.gz BVSDCQHRMSQDEE-LLVKDONJSA-N -1 1 310.305 3.455 20 5 DGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc3ccccc32)no1 ZINC001212893278 1103340979 /nfs/dbraw/zinc/34/09/79/1103340979.db2.gz VMEKRDIBGNNDHN-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM Cn1c(-c2cc([O-])cc([N+](=O)[O-])c2)nc2ccc(F)c(F)c21 ZINC001251390018 1105656189 /nfs/dbraw/zinc/65/61/89/1105656189.db2.gz XEDJWRFMAZGWKG-UHFFFAOYSA-N -1 1 305.240 3.132 20 5 DGBDMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001303553044 1111146460 /nfs/dbraw/zinc/14/64/60/1111146460.db2.gz AEEGZEHJAIETJQ-VIFPVBQESA-N -1 1 320.732 3.445 20 5 DGBDMM Cc1cc([C@@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC001308110059 1111379126 /nfs/dbraw/zinc/37/91/26/1111379126.db2.gz UWURAGQCYKGBOZ-INIZCTEOSA-N -1 1 316.361 3.059 20 5 DGBDMM COC(=O)c1c[n-]c(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000193538435 201070357 /nfs/dbraw/zinc/07/03/57/201070357.db2.gz JUOQPMXFDTYSKW-SECBINFHSA-N -1 1 321.358 3.266 20 5 DGBDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000135601666 432129040 /nfs/dbraw/zinc/12/90/40/432129040.db2.gz YOOYRBUTEBEJCA-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CSc1ccc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000128999175 284394299 /nfs/dbraw/zinc/39/42/99/284394299.db2.gz IGEDTGYOJRYZNX-UHFFFAOYSA-N -1 1 322.317 3.414 20 5 DGBDMM O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342794985 254052564 /nfs/dbraw/zinc/05/25/64/254052564.db2.gz MZMQFHRFUWQQAP-UHFFFAOYSA-N -1 1 320.355 3.360 20 5 DGBDMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000343077873 254096286 /nfs/dbraw/zinc/09/62/86/254096286.db2.gz JPTDQUSCCVMTIN-MRVPVSSYSA-N -1 1 322.267 3.070 20 5 DGBDMM Cc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322398298 285306988 /nfs/dbraw/zinc/30/69/88/285306988.db2.gz RAEBWBNJQZXAHJ-WDEREUQCSA-N -1 1 315.329 3.117 20 5 DGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C ZINC000067116656 400146815 /nfs/dbraw/zinc/14/68/15/400146815.db2.gz ALSYEIXRYAZELO-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM COc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000610664790 400286973 /nfs/dbraw/zinc/28/69/73/400286973.db2.gz UISSNVNVFKSLPC-UHFFFAOYSA-N -1 1 316.313 3.178 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000031555840 400348496 /nfs/dbraw/zinc/34/84/96/400348496.db2.gz LIILUUXDJAJIAV-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=c1nc(-c2ccc([N+](=O)[O-])o2)[n-]c2sc3c(c21)CCC3 ZINC000603824692 400719306 /nfs/dbraw/zinc/71/93/06/400719306.db2.gz MJTZSZUPYQZRKY-UHFFFAOYSA-N -1 1 303.299 3.054 20 5 DGBDMM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2S1 ZINC000604076403 400747416 /nfs/dbraw/zinc/74/74/16/400747416.db2.gz NJEDAYGIYBWSIL-JTQLQIEISA-N -1 1 317.370 3.454 20 5 DGBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1-c1ncco1 ZINC000359143511 165924590 /nfs/dbraw/zinc/92/45/90/165924590.db2.gz MQAIBMNBRHDJQJ-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1C1CCCCC1 ZINC000290991314 222055981 /nfs/dbraw/zinc/05/59/81/222055981.db2.gz XISZTTQDIRLMHT-UHFFFAOYSA-N -1 1 317.349 3.185 20 5 DGBDMM CC(C)(C)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000346640842 264071449 /nfs/dbraw/zinc/07/14/49/264071449.db2.gz KKJXTCXKHMNJHR-UHFFFAOYSA-N -1 1 308.363 3.220 20 5 DGBDMM CCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000007057515 431333641 /nfs/dbraw/zinc/33/36/41/431333641.db2.gz IOKCSNBSPCNKJY-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM CCC1(CC)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000189128627 432765011 /nfs/dbraw/zinc/76/50/11/432765011.db2.gz NLPUDHOHARTJDZ-UHFFFAOYSA-N -1 1 321.377 3.128 20 5 DGBDMM COc1ccc([N+](=O)[O-])cc1CNCc1cccc([O-])c1Cl ZINC000339236478 433457958 /nfs/dbraw/zinc/45/79/58/433457958.db2.gz IENPISJFBVSESB-UHFFFAOYSA-N -1 1 322.748 3.252 20 5 DGBDMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000436781967 434107707 /nfs/dbraw/zinc/10/77/07/434107707.db2.gz WKGPWVUPDQYABM-UHFFFAOYSA-N -1 1 318.304 3.105 20 5 DGBDMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436798379 434112681 /nfs/dbraw/zinc/11/26/81/434112681.db2.gz LCHHRUGGKLJGOK-SECBINFHSA-N -1 1 320.732 3.445 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc4ncccc43)no2)[n-]1 ZINC000340696493 434307283 /nfs/dbraw/zinc/30/72/83/434307283.db2.gz MLOYCNKQNWRKPG-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000485082631 435559791 /nfs/dbraw/zinc/55/97/91/435559791.db2.gz YXUAYCQHXCOFDT-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000491605080 435778160 /nfs/dbraw/zinc/77/81/60/435778160.db2.gz RUKSGFYEZDNTJZ-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM CC(=O)c1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1[O-] ZINC000552070024 435877950 /nfs/dbraw/zinc/87/79/50/435877950.db2.gz YTXXOERVOMVNSY-UHFFFAOYSA-N -1 1 314.297 3.064 20 5 DGBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000174880263 312767041 /nfs/dbraw/zinc/76/70/41/312767041.db2.gz ZHULVGFXMRZVSB-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM CCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000531756338 313488362 /nfs/dbraw/zinc/48/83/62/313488362.db2.gz QIYPIAMCHGXRRM-UHFFFAOYSA-N -1 1 304.277 3.254 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)[n-]1 ZINC000547081561 314343103 /nfs/dbraw/zinc/34/31/03/314343103.db2.gz BQHSVBACUPPBJD-UHFFFAOYSA-N -1 1 324.218 3.252 20 5 DGBDMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445174142 527859290 /nfs/dbraw/zinc/85/92/90/527859290.db2.gz QQKNELALQOUKHH-DGCLKSJQSA-N -1 1 321.377 3.030 20 5 DGBDMM CC(C)OCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000299133685 528036811 /nfs/dbraw/zinc/03/68/11/528036811.db2.gz FQGXUJNKFSJJLE-UHFFFAOYSA-N -1 1 303.318 3.100 20 5 DGBDMM O=C([O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000739503932 574905415 /nfs/dbraw/zinc/90/54/15/574905415.db2.gz DJPUKFMALVNDMH-CQSZACIVSA-N -1 1 320.732 3.164 20 5 DGBDMM O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918672665 620718194 /nfs/dbraw/zinc/71/81/94/620718194.db2.gz AOASQKQIAQVIAF-UHFFFAOYSA-N -1 1 308.297 3.237 20 5 DGBDMM Cc1c([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1CC(C)C ZINC000766448165 622330557 /nfs/dbraw/zinc/33/05/57/622330557.db2.gz LYCRYXPWQYEVPK-UHFFFAOYSA-N -1 1 319.321 3.408 20 5 DGBDMM O=C([O-])/C=C\c1cnc(/C=C\c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000772808733 622943277 /nfs/dbraw/zinc/94/32/77/622943277.db2.gz WMIKOMWAGSFCTG-KANDRLCVSA-N -1 1 318.310 3.025 20 5 DGBDMM Cc1oc(C2CC2)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000808070704 626790759 /nfs/dbraw/zinc/79/07/59/626790759.db2.gz WJOHNYFYATVETO-UHFFFAOYSA-N -1 1 323.255 3.299 20 5 DGBDMM CC(C)CCCSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840205390 627033143 /nfs/dbraw/zinc/03/31/43/627033143.db2.gz UFRJPIPZAQBULJ-UHFFFAOYSA-N -1 1 324.402 3.021 20 5 DGBDMM O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000812588968 627400418 /nfs/dbraw/zinc/40/04/18/627400418.db2.gz CALWHGUZXLQESM-BBRMVZONSA-N -1 1 313.309 3.261 20 5 DGBDMM C[C@@H](C(=O)[O-])[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000826053498 628823136 /nfs/dbraw/zinc/82/31/36/628823136.db2.gz JGNHPHPNTLSLPR-YGRLFVJLSA-N -1 1 320.370 3.208 20 5 DGBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001589980865 1192481766 /nfs/dbraw/zinc/48/17/66/1192481766.db2.gz GAHPJAVNNQAUIN-QMMMGPOBSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c2ccccc21 ZINC001590311367 1192501036 /nfs/dbraw/zinc/50/10/36/1192501036.db2.gz DQBVPOPAXZGPLE-JTQLQIEISA-N -1 1 322.328 3.030 20 5 DGBDMM Cc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600371304 1192838616 /nfs/dbraw/zinc/83/86/16/1192838616.db2.gz DARKVRKHVTZPNC-JTQLQIEISA-N -1 1 304.302 3.045 20 5 DGBDMM Cc1ccccc1[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001600570089 1192876605 /nfs/dbraw/zinc/87/66/05/1192876605.db2.gz OBIDSRSPXYPGBG-LRDDRELGSA-N -1 1 314.341 3.380 20 5 DGBDMM CCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC1 ZINC001604086997 1193048683 /nfs/dbraw/zinc/04/86/83/1193048683.db2.gz UMWVFSMJPMUPIS-UHFFFAOYSA-N -1 1 316.365 3.157 20 5 DGBDMM CCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC001604086997 1193048684 /nfs/dbraw/zinc/04/86/84/1193048684.db2.gz UMWVFSMJPMUPIS-UHFFFAOYSA-N -1 1 316.365 3.157 20 5 DGBDMM CCCC[C@H](CC)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604163785 1193057064 /nfs/dbraw/zinc/05/70/64/1193057064.db2.gz UXSAGADSJYYRQT-NSHDSACASA-N -1 1 318.381 3.403 20 5 DGBDMM CCCC[C@H](CC)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604163785 1193057067 /nfs/dbraw/zinc/05/70/67/1193057067.db2.gz UXSAGADSJYYRQT-NSHDSACASA-N -1 1 318.381 3.403 20 5 DGBDMM Cc1c(C(=O)Nc2cc([O-])c(F)cc2F)cccc1[N+](=O)[O-] ZINC001450897500 1182259641 /nfs/dbraw/zinc/25/96/41/1182259641.db2.gz HYAMQOXQIRJOIF-UHFFFAOYSA-N -1 1 308.240 3.139 20 5 DGBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451760613 1182275145 /nfs/dbraw/zinc/27/51/45/1182275145.db2.gz WUDSASXZFYYLTG-UHFFFAOYSA-N -1 1 322.267 3.448 20 5 DGBDMM Cc1c(C(=O)NCc2ccc([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC001455441095 1182369654 /nfs/dbraw/zinc/36/96/54/1182369654.db2.gz OCJXSWCBLJVTLX-UHFFFAOYSA-N -1 1 320.732 3.192 20 5 DGBDMM O=C(Nc1cccc(Oc2ccccc2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC001607222088 1193218967 /nfs/dbraw/zinc/21/89/67/1193218967.db2.gz NOAIUGQFFQEMFH-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC001607422338 1193229872 /nfs/dbraw/zinc/22/98/72/1193229872.db2.gz RONANGHSHOYVGD-NOZJJQNGSA-N -1 1 306.343 3.133 20 5 DGBDMM Cc1c(CC(=O)Nc2cc([O-])c(F)cc2F)cccc1[N+](=O)[O-] ZINC001556919891 1189028861 /nfs/dbraw/zinc/02/88/61/1189028861.db2.gz VJMOFHVRYGJDNZ-UHFFFAOYSA-N -1 1 322.267 3.068 20 5 DGBDMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001638360767 1194714283 /nfs/dbraw/zinc/71/42/83/1194714283.db2.gz HEHKZTKPVLZHQD-QMMMGPOBSA-N -1 1 322.267 3.321 20 5 DGBDMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001638360766 1194714526 /nfs/dbraw/zinc/71/45/26/1194714526.db2.gz HEHKZTKPVLZHQD-MRVPVSSYSA-N -1 1 322.267 3.321 20 5 DGBDMM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001644114365 1195082677 /nfs/dbraw/zinc/08/26/77/1195082677.db2.gz KCHMWIPOKJISAO-QLJPJBMISA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1cc(C)c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2n1 ZINC001651955612 1195527983 /nfs/dbraw/zinc/52/79/83/1195527983.db2.gz OMUUTLDQFUSJGU-UHFFFAOYSA-N -1 1 310.313 3.340 20 5 DGBDMM CCC1(CC)[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1OC ZINC001652753077 1195648092 /nfs/dbraw/zinc/64/80/92/1195648092.db2.gz HKFZLVGAGSZTPQ-CVEARBPZSA-N -1 1 322.405 3.326 20 5 DGBDMM Cc1nc(Cl)nc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393732 1081955564 /nfs/dbraw/zinc/95/55/64/1081955564.db2.gz YIQAVRZIHVLCTN-UHFFFAOYSA-N -1 1 315.116 3.449 20 5 DGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cc(Cl)nc(=O)[n-]1 ZINC001162515854 1089767830 /nfs/dbraw/zinc/76/78/30/1089767830.db2.gz PPACJKRTVFPQGC-UHFFFAOYSA-N -1 1 316.100 3.498 20 5 DGBDMM Cc1conc1[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001128827274 1091094271 /nfs/dbraw/zinc/09/42/71/1091094271.db2.gz QWXVXBQNXVBEHU-UHFFFAOYSA-N -1 1 315.207 3.162 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2c(Cl)cnnc2Cl)ccc1[O-] ZINC001210393992 1093151790 /nfs/dbraw/zinc/15/17/90/1093151790.db2.gz LJVFRELXLZSYMH-UHFFFAOYSA-N -1 1 301.089 3.141 20 5 DGBDMM O=c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(C2CCCC2)[nH]1 ZINC001210392542 1093152195 /nfs/dbraw/zinc/15/21/95/1093152195.db2.gz GAKBZQJTPFHSBT-UHFFFAOYSA-N -1 1 304.306 3.061 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2ccc(N3CCCC3)nc2)ccc1[O-] ZINC001210395899 1093153195 /nfs/dbraw/zinc/15/31/95/1093153195.db2.gz IHMKJBMLCCADTB-UHFFFAOYSA-N -1 1 300.318 3.039 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cccnc2OC(F)(F)F)ccc1[O-] ZINC001210396635 1093153793 /nfs/dbraw/zinc/15/37/93/1093153793.db2.gz VRLWOJBVYKMIDJ-UHFFFAOYSA-N -1 1 315.207 3.338 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnc(-c3ccc(O)cc3)nc2)ccc1[O-] ZINC001210395743 1093153908 /nfs/dbraw/zinc/15/39/08/1093153908.db2.gz FHJRJVMHCOQMEB-UHFFFAOYSA-N -1 1 324.296 3.207 20 5 DGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]c1nnc(Br)s1 ZINC001211284790 1093443279 /nfs/dbraw/zinc/44/32/79/1093443279.db2.gz MSGIGSGWLHUDQW-UHFFFAOYSA-N -1 1 315.152 3.261 20 5 DGBDMM O=c1oc2cc([O-])ccc2cc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216482375 1094206728 /nfs/dbraw/zinc/20/67/28/1094206728.db2.gz JLAFVIQSQZWRBM-UHFFFAOYSA-N -1 1 316.244 3.290 20 5 DGBDMM Cc1c(NC(=O)Cc2ccc([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC001135304461 1094476386 /nfs/dbraw/zinc/47/63/86/1094476386.db2.gz IFKGKCQMLFPTRW-UHFFFAOYSA-N -1 1 320.732 3.443 20 5 DGBDMM O=c1cc[n-]c(O[C@H]2CCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC001225664143 1096498347 /nfs/dbraw/zinc/49/83/47/1096498347.db2.gz KPMJXCWDBSVONG-LBPRGKRZSA-N -1 1 306.705 3.415 20 5 DGBDMM CC(C)C[C@@H](Cc1ccccc1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141442 1097061392 /nfs/dbraw/zinc/06/13/92/1097061392.db2.gz QDLDAFVXIYLJDI-ZDUSSCGKSA-N -1 1 317.345 3.127 20 5 DGBDMM C[C@H](COCc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395151 1097311543 /nfs/dbraw/zinc/31/15/43/1097311543.db2.gz FTBWXIBOVLLMGG-GFCCVEGCSA-N -1 1 303.314 3.285 20 5 DGBDMM C[C@@H](COc1cc([N+](=O)[O-])ccc1[O-])OCc1ccccc1 ZINC001229394791 1097312027 /nfs/dbraw/zinc/31/20/27/1097312027.db2.gz BXPDOCLRTKJFRK-LBPRGKRZSA-N -1 1 303.314 3.285 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3c2nccc3Cl)c1 ZINC001229398688 1097312951 /nfs/dbraw/zinc/31/29/51/1097312951.db2.gz YHIWOSARWZKULJ-GFCCVEGCSA-N -1 1 306.705 3.415 20 5 DGBDMM CC(C)Oc1cc(COc2cc([N+](=O)[O-])ccc2[O-])c(F)cn1 ZINC001229399150 1097313142 /nfs/dbraw/zinc/31/31/42/1097313142.db2.gz FWNCNFUFECZWRX-UHFFFAOYSA-N -1 1 322.292 3.201 20 5 DGBDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751574 1097376427 /nfs/dbraw/zinc/37/64/27/1097376427.db2.gz VWMANRNHBIQQJK-BXUZGUMPSA-N -1 1 323.345 3.110 20 5 DGBDMM Cc1ccc2c(c1)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])CC2 ZINC001231259264 1097705835 /nfs/dbraw/zinc/70/58/35/1097705835.db2.gz IIIZWKFSSVJQLB-AWEZNQCLSA-N -1 1 300.314 3.379 20 5 DGBDMM O=c1oc2cc([O-])ccc2cc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734503 1098148833 /nfs/dbraw/zinc/14/88/33/1098148833.db2.gz RTMHQUCZKWUFCB-UHFFFAOYSA-N -1 1 316.244 3.290 20 5 DGBDMM O=[N+]([O-])c1cc2nc(OC3CCSCC3)[n-]c2cc1Cl ZINC001233497020 1098351840 /nfs/dbraw/zinc/35/18/40/1098351840.db2.gz DFSHZMHMYGSXDP-UHFFFAOYSA-N -1 1 313.766 3.399 20 5 DGBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc([N+](=O)[O-])ccc1F ZINC001176994464 1098460665 /nfs/dbraw/zinc/46/06/65/1098460665.db2.gz UGMZNKUVZIJUOM-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM COc1cccc(C(C)=O)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224662 1102533854 /nfs/dbraw/zinc/53/38/54/1102533854.db2.gz PGHWIPJLPHBTLQ-UHFFFAOYSA-N -1 1 302.286 3.255 20 5 DGBDMM COc1ccc([N-]c2nc3c(s2)C(=O)CCC3)c([N+](=O)[O-])c1 ZINC001248457074 1105116042 /nfs/dbraw/zinc/11/60/42/1105116042.db2.gz KXRZPLUNGZESFG-UHFFFAOYSA-N -1 1 319.342 3.323 20 5 DGBDMM COc1cc([N+](=O)[O-])cc(-c2nc3c(cc(F)cc3C)[nH]2)c1[O-] ZINC001250820139 1105590490 /nfs/dbraw/zinc/59/04/90/1105590490.db2.gz PADIAICKPZALFY-UHFFFAOYSA-N -1 1 317.276 3.300 20 5 DGBDMM COc1cc([O-])c(-c2nc3c(cc(F)cc3C)[nH]2)cc1[N+](=O)[O-] ZINC001251775619 1105694217 /nfs/dbraw/zinc/69/42/17/1105694217.db2.gz AQGKMARLRVKFIC-UHFFFAOYSA-N -1 1 317.276 3.300 20 5 DGBDMM Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000047215516 283562653 /nfs/dbraw/zinc/56/26/53/283562653.db2.gz AOMQOKYYTWLWIR-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM Cc1c(CC(=O)Nc2ccc([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC000153641259 284682385 /nfs/dbraw/zinc/68/23/85/284682385.db2.gz ISWJXVCGOKOOTQ-UHFFFAOYSA-N -1 1 320.732 3.443 20 5 DGBDMM CC(C)(C)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340303107 253598967 /nfs/dbraw/zinc/59/89/67/253598967.db2.gz TZHRYXNWFVSELA-UHFFFAOYSA-N -1 1 303.318 3.178 20 5 DGBDMM CSc1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000345108954 254331510 /nfs/dbraw/zinc/33/15/10/254331510.db2.gz MTZODJYFGJEAKZ-UHFFFAOYSA-N -1 1 313.285 3.175 20 5 DGBDMM CCO[C@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000092040719 400150410 /nfs/dbraw/zinc/15/04/10/400150410.db2.gz MPXAGXAAAJBULM-CVEARBPZSA-N -1 1 320.389 3.080 20 5 DGBDMM C/C=C/c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000588853531 400236031 /nfs/dbraw/zinc/23/60/31/400236031.db2.gz IKKHYEBZDDTEST-DUXPYHPUSA-N -1 1 318.354 3.429 20 5 DGBDMM Cc1noc(C(F)F)c1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000610431342 400257447 /nfs/dbraw/zinc/25/74/47/400257447.db2.gz GNYFFYSDFIKSRX-UHFFFAOYSA-N -1 1 315.207 3.220 20 5 DGBDMM CC(C)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000597618809 400652838 /nfs/dbraw/zinc/65/28/38/400652838.db2.gz VEYFSACSWLJZPS-UHFFFAOYSA-N -1 1 302.334 3.020 20 5 DGBDMM O=C(CSc1ccc([N+](=O)[O-])cc1F)c1ccc([O-])cc1 ZINC000618964729 400729877 /nfs/dbraw/zinc/72/98/77/400729877.db2.gz JUINEEBZZVQION-UHFFFAOYSA-N -1 1 307.302 3.415 20 5 DGBDMM CSc1ccccc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269369994 432166958 /nfs/dbraw/zinc/16/69/58/432166958.db2.gz LSNCSEXDWANHKK-UHFFFAOYSA-N -1 1 320.374 3.416 20 5 DGBDMM Cc1cccc(C2(c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)CC2)c1 ZINC000354082467 265655007 /nfs/dbraw/zinc/65/50/07/265655007.db2.gz HZQBNYGWLKONPL-UHFFFAOYSA-N -1 1 310.313 3.361 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)[n-]1 ZINC000356020453 266259971 /nfs/dbraw/zinc/25/99/71/266259971.db2.gz KDGLDCGUJJKCLT-UHFFFAOYSA-N -1 1 322.683 3.356 20 5 DGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c2cccnc2c1C ZINC000362168213 433559250 /nfs/dbraw/zinc/55/92/50/433559250.db2.gz QGRNTAYBECHDJX-UHFFFAOYSA-N -1 1 310.313 3.340 20 5 DGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCSc2ccccc21 ZINC000351519896 433548149 /nfs/dbraw/zinc/54/81/49/433548149.db2.gz PXKAPXZGXBAPKT-UHFFFAOYSA-N -1 1 303.343 3.066 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc4cnccc43)no2)[n-]1 ZINC000356628025 433630199 /nfs/dbraw/zinc/63/01/99/433630199.db2.gz XPLFIZZFGQAMJZ-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)s1 ZINC000284037256 433825759 /nfs/dbraw/zinc/82/57/59/433825759.db2.gz WVXFDEAPZOVXLJ-UHFFFAOYSA-N -1 1 324.337 3.099 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340329987 434065519 /nfs/dbraw/zinc/06/55/19/434065519.db2.gz IUXCGEDGGWKMPF-UHFFFAOYSA-N -1 1 316.244 3.438 20 5 DGBDMM O=C(Nc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000340584646 434224931 /nfs/dbraw/zinc/22/49/31/434224931.db2.gz VBLOPWXZDKSLQB-UHFFFAOYSA-N -1 1 315.207 3.074 20 5 DGBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000475827823 435213625 /nfs/dbraw/zinc/21/36/25/435213625.db2.gz CSAIBRDUJUUBSK-UHFFFAOYSA-N -1 1 324.333 3.097 20 5 DGBDMM Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000180161940 323222589 /nfs/dbraw/zinc/22/25/89/323222589.db2.gz YEYSDRCMIFSKRI-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM C[C@@H]([C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000445006318 534035755 /nfs/dbraw/zinc/03/57/55/534035755.db2.gz BZWRSDSQXJSCSG-QWRGUYRKSA-N -1 1 321.377 3.030 20 5 DGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1N1CCCC1 ZINC000874945174 623399815 /nfs/dbraw/zinc/39/98/15/623399815.db2.gz PAJBWVMQPPNYOZ-UHFFFAOYSA-N -1 1 314.345 3.084 20 5 DGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000780068015 623856575 /nfs/dbraw/zinc/85/65/75/623856575.db2.gz JAYYTORIAWAOCZ-MRVPVSSYSA-N -1 1 323.251 3.497 20 5 DGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000780067272 623857654 /nfs/dbraw/zinc/85/76/54/623857654.db2.gz GBWPYUOYUOEYAO-SECBINFHSA-N -1 1 305.261 3.358 20 5 DGBDMM Cc1csc([C@@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000877813587 624046784 /nfs/dbraw/zinc/04/67/84/624046784.db2.gz MQTOHJQCEQZNQA-LLVKDONJSA-N -1 1 319.386 3.055 20 5 DGBDMM Cc1ccc(F)cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000782294640 624234592 /nfs/dbraw/zinc/23/45/92/624234592.db2.gz DZEHHUPVLZNHRI-UHFFFAOYSA-N -1 1 305.261 3.105 20 5 DGBDMM Cc1ccc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1C ZINC001581211000 1192057916 /nfs/dbraw/zinc/05/79/16/1192057916.db2.gz OIWXTPHBRRDMDU-UHFFFAOYSA-N -1 1 317.330 3.246 20 5 DGBDMM Cc1ccc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1C ZINC001581211000 1192057919 /nfs/dbraw/zinc/05/79/19/1192057919.db2.gz OIWXTPHBRRDMDU-UHFFFAOYSA-N -1 1 317.330 3.246 20 5 DGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C(C)C)c1 ZINC001584755213 1192218313 /nfs/dbraw/zinc/21/83/13/1192218313.db2.gz MBRSBGBSUOMZGZ-UHFFFAOYSA-N -1 1 319.317 3.276 20 5 DGBDMM CC(C)(CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CC1 ZINC001589276075 1192462022 /nfs/dbraw/zinc/46/20/22/1192462022.db2.gz OARSNGUGAIZLSE-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM CC(C)(CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CC1 ZINC001589276075 1192462025 /nfs/dbraw/zinc/46/20/25/1192462025.db2.gz OARSNGUGAIZLSE-UHFFFAOYSA-N -1 1 316.365 3.013 20 5 DGBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001589980716 1192479737 /nfs/dbraw/zinc/47/97/37/1192479737.db2.gz CVHLVSGKTPEEGW-JTQLQIEISA-N -1 1 316.365 3.156 20 5 DGBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccsc1 ZINC001589980097 1192479806 /nfs/dbraw/zinc/47/98/06/1192479806.db2.gz HNLYTPSNPUXZNA-LURJTMIESA-N -1 1 322.375 3.071 20 5 DGBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccsc1 ZINC001589980097 1192479809 /nfs/dbraw/zinc/47/98/09/1192479809.db2.gz HNLYTPSNPUXZNA-LURJTMIESA-N -1 1 322.375 3.071 20 5 DGBDMM CC[C@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590507953 1192515339 /nfs/dbraw/zinc/51/53/39/1192515339.db2.gz IVEXLJIMDJAWBE-QWRGUYRKSA-N -1 1 316.365 3.156 20 5 DGBDMM CC[C@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590507953 1192515344 /nfs/dbraw/zinc/51/53/44/1192515344.db2.gz IVEXLJIMDJAWBE-QWRGUYRKSA-N -1 1 316.365 3.156 20 5 DGBDMM Cc1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC001592186671 1192600444 /nfs/dbraw/zinc/60/04/44/1192600444.db2.gz VYKUYUQWNRKZPH-UHFFFAOYSA-N -1 1 310.317 3.135 20 5 DGBDMM Cc1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC001592186671 1192600447 /nfs/dbraw/zinc/60/04/47/1192600447.db2.gz VYKUYUQWNRKZPH-UHFFFAOYSA-N -1 1 310.317 3.135 20 5 DGBDMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC001596819817 1192706839 /nfs/dbraw/zinc/70/68/39/1192706839.db2.gz NYBJKEMVEFWTHD-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM Cc1cc(C(=O)[O-])ccc1[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC001600116747 1192790983 /nfs/dbraw/zinc/79/09/83/1192790983.db2.gz LUOUACQIJWCYPV-GFCCVEGCSA-N -1 1 314.341 3.452 20 5 DGBDMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC001600419120 1192849447 /nfs/dbraw/zinc/84/94/47/1192849447.db2.gz FVBRRSMZRVLYHG-UHFFFAOYSA-N -1 1 318.304 3.030 20 5 DGBDMM O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC001466225650 1183193985 /nfs/dbraw/zinc/19/39/85/1183193985.db2.gz NKOYWRLZIKAFBC-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM Cc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2cc1F ZINC001472332952 1183635248 /nfs/dbraw/zinc/63/52/48/1183635248.db2.gz NFBLXDRDULVYRO-UHFFFAOYSA-N -1 1 320.305 3.232 20 5 DGBDMM C[C@H](C(=O)Nc1cccc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001635724743 1194567777 /nfs/dbraw/zinc/56/77/77/1194567777.db2.gz AYFUCCXKJGVKPQ-VIFPVBQESA-N -1 1 304.277 3.182 20 5 DGBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)c([O-])cc1Cl ZINC001639821700 1194783116 /nfs/dbraw/zinc/78/31/16/1194783116.db2.gz KJNCWZZHNCTRFY-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM Nc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001671661688 1197559219 /nfs/dbraw/zinc/55/92/19/1197559219.db2.gz XRAOENPGKLMLAO-UHFFFAOYSA-N -1 1 322.708 3.180 20 5 DGBDMM O=C([O-])[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001594902360 954646354 /nfs/dbraw/zinc/64/63/54/954646354.db2.gz MFKPKGDXBAZOHI-CHWSQXEVSA-N -1 1 318.354 3.059 20 5 DGBDMM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001599901943 984850600 /nfs/dbraw/zinc/85/06/00/984850600.db2.gz YMOQDLAJHAKJQH-LBPRGKRZSA-N -1 1 314.341 3.073 20 5 DGBDMM CCc1[nH]c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001597394701 987643063 /nfs/dbraw/zinc/64/30/63/987643063.db2.gz DKTORWMXVNLODL-JTQLQIEISA-N -1 1 317.345 3.034 20 5 DGBDMM CCc1c(C)sc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C(N)=O ZINC001210393138 1093152008 /nfs/dbraw/zinc/15/20/08/1093152008.db2.gz PGTHGCZBMMPXOP-UHFFFAOYSA-N -1 1 321.358 3.075 20 5 DGBDMM O=[N+]([O-])c1cc(Nc2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC001210393171 1093152122 /nfs/dbraw/zinc/15/21/22/1093152122.db2.gz QGABTIGNINOLFF-UHFFFAOYSA-N -1 1 310.313 3.289 20 5 DGBDMM Cc1ccc(C(=O)c2cc([O-])c(OC3CC3)c([N+](=O)[O-])c2)cc1 ZINC001227702998 1096972547 /nfs/dbraw/zinc/97/25/47/1096972547.db2.gz RZBZEQDZUVNTDX-UHFFFAOYSA-N -1 1 313.309 3.381 20 5 DGBDMM CC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1C ZINC001228139900 1097060662 /nfs/dbraw/zinc/06/06/62/1097060662.db2.gz CFQDZIDLHNDKCN-NSHDSACASA-N -1 1 307.281 3.068 20 5 DGBDMM CC(C)C[C@H](Cc1ccccc1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141441 1097061372 /nfs/dbraw/zinc/06/13/72/1097061372.db2.gz QDLDAFVXIYLJDI-CYBMUJFWSA-N -1 1 317.345 3.127 20 5 DGBDMM CC[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001229378726 1097310176 /nfs/dbraw/zinc/31/01/76/1097310176.db2.gz JKYNCTSBUDXQGR-NSHDSACASA-N -1 1 307.281 3.068 20 5 DGBDMM COc1cccc2c1[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC001229395004 1097312057 /nfs/dbraw/zinc/31/20/57/1097312057.db2.gz DMTPUCAJYJZTHT-CQSZACIVSA-N -1 1 317.297 3.212 20 5 DGBDMM COC(=O)c1ccc([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001229397899 1097312861 /nfs/dbraw/zinc/31/28/61/1097312861.db2.gz OAHZTFZITFFIAM-JTQLQIEISA-N -1 1 317.297 3.227 20 5 DGBDMM CO[C@@H](C)CCOc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229519003 1097338024 /nfs/dbraw/zinc/33/80/24/1097338024.db2.gz XRFHJVAFBRROOH-NSHDSACASA-N -1 1 314.337 3.456 20 5 DGBDMM Cc1cc([O-])c(O[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC001229751656 1097376379 /nfs/dbraw/zinc/37/63/79/1097376379.db2.gz XOJBSZLMETYYMN-AWEZNQCLSA-N -1 1 300.314 3.460 20 5 DGBDMM CC/C=C\CCOC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751564 1097376578 /nfs/dbraw/zinc/37/65/78/1097376578.db2.gz VVJLMWDSYOAMQR-FJOGCWAESA-N -1 1 323.345 3.276 20 5 DGBDMM Cc1cc([O-])c(OC[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC001229754449 1097377526 /nfs/dbraw/zinc/37/75/26/1097377526.db2.gz PXBIQMVDQGPKKS-GFCCVEGCSA-N -1 1 303.314 3.455 20 5 DGBDMM Cc1ccc2c(c1)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])CC2 ZINC001231259265 1097706065 /nfs/dbraw/zinc/70/60/65/1097706065.db2.gz IIIZWKFSSVJQLB-CQSZACIVSA-N -1 1 300.314 3.379 20 5 DGBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CC(C)(C)OC(C)(C)C2)n1 ZINC001231261962 1097707510 /nfs/dbraw/zinc/70/75/10/1097707510.db2.gz CLKVHGLRCSZANZ-UHFFFAOYSA-N -1 1 310.350 3.119 20 5 DGBDMM CC[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124839 1098499647 /nfs/dbraw/zinc/49/96/47/1098499647.db2.gz LOFRAPIMPWJZLY-MRVPVSSYSA-N -1 1 316.309 3.240 20 5 DGBDMM COc1ccc2c(c1Nc1cc([O-])cc([N+](=O)[O-])c1)C(=O)CC2 ZINC001201224077 1102531695 /nfs/dbraw/zinc/53/16/95/1102531695.db2.gz HZIZISBYLLFGQR-UHFFFAOYSA-N -1 1 314.297 3.182 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1-c1nc2ccc(N3CCCC3)cc2[nH]1 ZINC001250854043 1105594284 /nfs/dbraw/zinc/59/42/84/1105594284.db2.gz MLSZCAKJWVUAGA-UHFFFAOYSA-N -1 1 324.340 3.444 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])c(-c2nc3ccc(N4CCCC4)cc3[nH]2)c1 ZINC001251046473 1105623747 /nfs/dbraw/zinc/62/37/47/1105623747.db2.gz SPHFYAYYLAUWIA-UHFFFAOYSA-N -1 1 324.340 3.444 20 5 DGBDMM O=[N+]([O-])c1cc(-c2nc3ccccc3n2C2CC2)c([O-])cc1O ZINC001251088162 1105627913 /nfs/dbraw/zinc/62/79/13/1105627913.db2.gz XCDPLBWWVDDGMQ-UHFFFAOYSA-N -1 1 311.297 3.358 20 5 DGBDMM CCn1c2ccc(F)cc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251087041 1105628040 /nfs/dbraw/zinc/62/80/40/1105628040.db2.gz MJZRNYMMIRWBBY-UHFFFAOYSA-N -1 1 317.276 3.182 20 5 DGBDMM CCn1c2ccc(F)cc2nc1-c1cc([N+](=O)[O-])c([O-])cc1O ZINC001251087041 1105628042 /nfs/dbraw/zinc/62/80/42/1105628042.db2.gz MJZRNYMMIRWBBY-UHFFFAOYSA-N -1 1 317.276 3.182 20 5 DGBDMM CCn1c2cc(F)ccc2nc1-c1cc([N+](=O)[O-])c(O)cc1[O-] ZINC001251086974 1105628189 /nfs/dbraw/zinc/62/81/89/1105628189.db2.gz KEKQERHLRCXONI-UHFFFAOYSA-N -1 1 317.276 3.182 20 5 DGBDMM O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003552740 181033527 /nfs/dbraw/zinc/03/35/27/181033527.db2.gz UFLTUASGOMPETH-UHFFFAOYSA-N -1 1 324.749 3.229 20 5 DGBDMM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000495015478 246225211 /nfs/dbraw/zinc/22/52/11/246225211.db2.gz FGRLUEQAJIDSPT-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000063803211 184289023 /nfs/dbraw/zinc/28/90/23/184289023.db2.gz IOAWQPGUFBQWOC-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM Cc1coc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000344096936 254224790 /nfs/dbraw/zinc/22/47/90/254224790.db2.gz VICAAPZJZXXRBT-UHFFFAOYSA-N -1 1 312.285 3.139 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4ncccc4c3)no2)[n-]1 ZINC000356148609 266299912 /nfs/dbraw/zinc/29/99/12/266299912.db2.gz LSFXQAQJYBHNPS-UHFFFAOYSA-N -1 1 307.269 3.188 20 5 DGBDMM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1[N+](=O)[O-] ZINC000153637869 432427928 /nfs/dbraw/zinc/42/79/28/432427928.db2.gz UMEHDABIHJAZMC-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263531705 432552934 /nfs/dbraw/zinc/55/29/34/432552934.db2.gz WWLNLQMOUHQWCY-UHFFFAOYSA-N -1 1 318.329 3.150 20 5 DGBDMM CCCN(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263399991 432541689 /nfs/dbraw/zinc/54/16/89/432541689.db2.gz HTQQAFSLLILLCY-UHFFFAOYSA-N -1 1 318.329 3.151 20 5 DGBDMM CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000217210366 432655379 /nfs/dbraw/zinc/65/53/79/432655379.db2.gz SVLZUYBUKPDTOG-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000318044626 434208845 /nfs/dbraw/zinc/20/88/45/434208845.db2.gz DSHCGYNMUIIFDB-UHFFFAOYSA-N -1 1 301.233 3.157 20 5 DGBDMM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000346267685 434249615 /nfs/dbraw/zinc/24/96/15/434249615.db2.gz AUQOTSXPEQVDNR-UHFFFAOYSA-N -1 1 317.198 3.333 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445456998 434803629 /nfs/dbraw/zinc/80/36/29/434803629.db2.gz XBHXSXSWSYLZIL-UHFFFAOYSA-N -1 1 301.233 3.157 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481969664 435448401 /nfs/dbraw/zinc/44/84/01/435448401.db2.gz CXMOHLQBCSZXBK-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM O=C([O-])C[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633507 601113079 /nfs/dbraw/zinc/11/30/79/601113079.db2.gz PEIXEFDDIJOFTP-GFCCVEGCSA-N -1 1 312.753 3.077 20 5 DGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633508 601113197 /nfs/dbraw/zinc/11/31/97/601113197.db2.gz PEIXEFDDIJOFTP-LBPRGKRZSA-N -1 1 312.753 3.077 20 5 DGBDMM C[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000762262456 622066575 /nfs/dbraw/zinc/06/65/75/622066575.db2.gz FURXDNIFANDGEU-LLVKDONJSA-N -1 1 318.304 3.085 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872262197 622871939 /nfs/dbraw/zinc/87/19/39/622871939.db2.gz SPHYSVWTPJRQJM-MRXNPFEDSA-N -1 1 320.389 3.224 20 5 DGBDMM CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc([O-])c(Cl)c1 ZINC000872727190 622961911 /nfs/dbraw/zinc/96/19/11/622961911.db2.gz ZNNZWSLSMFQJKD-UHFFFAOYSA-N -1 1 310.741 3.091 20 5 DGBDMM O=C(OCCCCC(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072737 623857186 /nfs/dbraw/zinc/85/71/86/623857186.db2.gz UWZCSAJSTPMYMS-UHFFFAOYSA-N -1 1 307.224 3.190 20 5 DGBDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC000784516525 624539132 /nfs/dbraw/zinc/53/91/32/624539132.db2.gz IUDOXFOXIZGZQD-SECBINFHSA-N -1 1 305.261 3.358 20 5 DGBDMM CCC[C@@H](CC)SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840207125 627042013 /nfs/dbraw/zinc/04/20/13/627042013.db2.gz KYRNENLYUMRZFR-CYBMUJFWSA-N -1 1 324.402 3.163 20 5 DGBDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000833419998 629601863 /nfs/dbraw/zinc/60/18/63/629601863.db2.gz MZIUCQZCHNTPSL-NSHDSACASA-N -1 1 324.352 3.057 20 5 DGBDMM CCCc1cc(=O)[n-]c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC000106913552 631483214 /nfs/dbraw/zinc/48/32/14/631483214.db2.gz YQKISCWAEOOZLE-VOTSOKGWSA-N -1 1 307.331 3.399 20 5 DGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000179458594 655893433 /nfs/dbraw/zinc/89/34/33/655893433.db2.gz HPXWLUFITQMFDK-UHFFFAOYSA-N -1 1 310.668 3.345 20 5 DGBDMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC001587389562 1192397226 /nfs/dbraw/zinc/39/72/26/1192397226.db2.gz NOHLOYSCCCRHRS-MRVPVSSYSA-N -1 1 322.267 3.321 20 5 DGBDMM CC(C)(C)C1CC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001589099689 1192457868 /nfs/dbraw/zinc/45/78/68/1192457868.db2.gz RHUXBLJHLDMSMN-UHFFFAOYSA-N -1 1 316.365 3.012 20 5 DGBDMM C[C@H](CC(C)(C)C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589796851 1192475518 /nfs/dbraw/zinc/47/55/18/1192475518.db2.gz PTAGOJBTXJUZSO-SSDOTTSWSA-N -1 1 310.383 3.073 20 5 DGBDMM C[C@H](CC(C)(C)C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589796851 1192475519 /nfs/dbraw/zinc/47/55/19/1192475519.db2.gz PTAGOJBTXJUZSO-SSDOTTSWSA-N -1 1 310.383 3.073 20 5 DGBDMM CC[C@@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590406953 1192506186 /nfs/dbraw/zinc/50/61/86/1192506186.db2.gz VENXAKSFUKNVKF-ZJUUUORDSA-N -1 1 304.354 3.012 20 5 DGBDMM CC[C@@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590406953 1192506191 /nfs/dbraw/zinc/50/61/91/1192506191.db2.gz VENXAKSFUKNVKF-ZJUUUORDSA-N -1 1 304.354 3.012 20 5 DGBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001590472016 1192511940 /nfs/dbraw/zinc/51/19/40/1192511940.db2.gz QBXSTMXHNCJEAH-YUMQZZPRSA-N -1 1 322.394 3.073 20 5 DGBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001590472016 1192511944 /nfs/dbraw/zinc/51/19/44/1192511944.db2.gz QBXSTMXHNCJEAH-YUMQZZPRSA-N -1 1 322.394 3.073 20 5 DGBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1cccs1 ZINC001591771226 1192571688 /nfs/dbraw/zinc/57/16/88/1192571688.db2.gz YOOSKRPOQWPSLK-LURJTMIESA-N -1 1 322.375 3.071 20 5 DGBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1cccs1 ZINC001591771226 1192571690 /nfs/dbraw/zinc/57/16/90/1192571690.db2.gz YOOSKRPOQWPSLK-LURJTMIESA-N -1 1 322.375 3.071 20 5 DGBDMM Cc1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1C ZINC001592186097 1192600376 /nfs/dbraw/zinc/60/03/76/1192600376.db2.gz KZGRHTHPDOQQOT-UHFFFAOYSA-N -1 1 316.346 3.197 20 5 DGBDMM Cc1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1C ZINC001592186097 1192600378 /nfs/dbraw/zinc/60/03/78/1192600378.db2.gz KZGRHTHPDOQQOT-UHFFFAOYSA-N -1 1 316.346 3.197 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Sc1ccc(F)cc1 ZINC001593487964 1192632302 /nfs/dbraw/zinc/63/23/02/1192632302.db2.gz AFDDWRKMTSKDAV-UHFFFAOYSA-N -1 1 323.334 3.127 20 5 DGBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Sc1ccc(F)cc1 ZINC001593487964 1192632306 /nfs/dbraw/zinc/63/23/06/1192632306.db2.gz AFDDWRKMTSKDAV-UHFFFAOYSA-N -1 1 323.334 3.127 20 5 DGBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([O-])cc1F ZINC001596061609 1192679563 /nfs/dbraw/zinc/67/95/63/1192679563.db2.gz KFUWGLXBIYWSFB-UHFFFAOYSA-N -1 1 324.695 3.023 20 5 DGBDMM CC[C@@H](C)C[C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604001665 1193043045 /nfs/dbraw/zinc/04/30/45/1193043045.db2.gz WNXVZCNGZJMGJU-SFYZADRCSA-N -1 1 310.383 3.073 20 5 DGBDMM CC[C@@H](C)C[C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604001665 1193043049 /nfs/dbraw/zinc/04/30/49/1193043049.db2.gz WNXVZCNGZJMGJU-SFYZADRCSA-N -1 1 310.383 3.073 20 5 DGBDMM CCCC[C@@H](CC)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604163784 1193056516 /nfs/dbraw/zinc/05/65/16/1193056516.db2.gz UXSAGADSJYYRQT-LLVKDONJSA-N -1 1 318.381 3.403 20 5 DGBDMM CCCC[C@@H](CC)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604163784 1193056520 /nfs/dbraw/zinc/05/65/20/1193056520.db2.gz UXSAGADSJYYRQT-LLVKDONJSA-N -1 1 318.381 3.403 20 5 DGBDMM C[C@@H](NCc1ccc([O-])c(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001474695711 1183963106 /nfs/dbraw/zinc/96/31/06/1183963106.db2.gz RLIUHGLACJZEAG-SECBINFHSA-N -1 1 308.284 3.429 20 5 DGBDMM CCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001543928397 1188370293 /nfs/dbraw/zinc/37/02/93/1188370293.db2.gz OHAFSBRTTGPQPA-UHFFFAOYSA-N -1 1 309.709 3.227 20 5 DGBDMM Cc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC001643819726 1195056230 /nfs/dbraw/zinc/05/62/30/1195056230.db2.gz YKYIEUJGPDPLIB-UHFFFAOYSA-N -1 1 305.359 3.308 20 5 DGBDMM CCc1cc(=O)[n-]c(SCc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001652787720 1195652655 /nfs/dbraw/zinc/65/26/55/1195652655.db2.gz DDYUHEMWQHCYSB-UHFFFAOYSA-N -1 1 309.322 3.084 20 5 DGBDMM CC(C)c1[nH]c(CNCc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001591918254 976382624 /nfs/dbraw/zinc/38/26/24/976382624.db2.gz OPQYWKUYJJZJQZ-UHFFFAOYSA-N -1 1 317.345 3.034 20 5 DGBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001593289812 994667743 /nfs/dbraw/zinc/66/77/43/994667743.db2.gz YAVQTXJAZHWTCC-NSHDSACASA-N -1 1 300.314 3.144 20 5 DGBDMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001161045345 1089090938 /nfs/dbraw/zinc/09/09/38/1089090938.db2.gz BPBCQZRVRMPEHY-OLZOCXBDSA-N -1 1 316.288 3.182 20 5 DGBDMM Cc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1[N+](=O)[O-] ZINC001203321369 1090719844 /nfs/dbraw/zinc/71/98/44/1090719844.db2.gz XCGOFJPMQURZKP-UHFFFAOYSA-N -1 1 324.340 3.407 20 5 DGBDMM CC(C)c1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c([O-])c1 ZINC001298876613 1092120443 /nfs/dbraw/zinc/12/04/43/1092120443.db2.gz ZNBOHTVXCFTKIN-UHFFFAOYSA-N -1 1 315.329 3.258 20 5 DGBDMM Nc1cc(Cl)cc2c1ccn2-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398011 1093153396 /nfs/dbraw/zinc/15/33/96/1093153396.db2.gz MDBQZFWUGAQFSH-UHFFFAOYSA-N -1 1 303.705 3.480 20 5 DGBDMM COCCCN(c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1N ZINC001210398541 1093154742 /nfs/dbraw/zinc/15/47/42/1093154742.db2.gz HUHHBKZXPDHHAH-UHFFFAOYSA-N -1 1 317.345 3.057 20 5 DGBDMM CC(=O)c1ccc([O-])cc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001225617533 1096483654 /nfs/dbraw/zinc/48/36/54/1096483654.db2.gz XUQYCUGSVRSAIE-OAHLLOKOSA-N -1 1 313.309 3.049 20 5 DGBDMM COc1ccc([C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C(C)C)cc1 ZINC001225663224 1096498180 /nfs/dbraw/zinc/49/81/80/1096498180.db2.gz AAXCWTDDTTUXOK-HNNXBMFYSA-N -1 1 318.329 3.480 20 5 DGBDMM CCOc1ccc([C@@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cc1 ZINC001225666384 1096499509 /nfs/dbraw/zinc/49/95/09/1096499509.db2.gz HQJKKGGUDWKYFJ-SNVBAGLBSA-N -1 1 304.302 3.234 20 5 DGBDMM CC(C)Oc1cc(COc2cc([N+](=O)[O-])ccc2[O-])cnc1F ZINC001229399486 1097312870 /nfs/dbraw/zinc/31/28/70/1097312870.db2.gz LJHNNCVHXQEEEQ-UHFFFAOYSA-N -1 1 322.292 3.201 20 5 DGBDMM Cc1cc([O-])c(O[C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001229749868 1097376603 /nfs/dbraw/zinc/37/66/03/1097376603.db2.gz IGQIHTPWNYWESQ-JTQLQIEISA-N -1 1 311.334 3.108 20 5 DGBDMM Cc1cc([O-])c(OC[C@@H]2CC[C@@]3(CCCCO3)O2)cc1[N+](=O)[O-] ZINC001229754077 1097377842 /nfs/dbraw/zinc/37/78/42/1097377842.db2.gz MDHCAWILMDRHRB-BLLLJJGKSA-N -1 1 323.345 3.063 20 5 DGBDMM Cc1cc(=O)c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2o1 ZINC001201224016 1102531901 /nfs/dbraw/zinc/53/19/01/1102531901.db2.gz HLJYYVLNDGMKRT-UHFFFAOYSA-N -1 1 312.281 3.459 20 5 DGBDMM COc1ccc([N-]c2cc(-c3ccncc3)no2)c([N+](=O)[O-])c1 ZINC001248466124 1105116740 /nfs/dbraw/zinc/11/67/40/1105116740.db2.gz LDVDNIPNJAKVIA-UHFFFAOYSA-N -1 1 312.285 3.397 20 5 DGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c([nH]2)c(F)cc(F)c3F)c1 ZINC001251389251 1105656146 /nfs/dbraw/zinc/65/61/46/1105656146.db2.gz DLJGNICWIHAFMC-UHFFFAOYSA-N -1 1 309.203 3.261 20 5 DGBDMM CCn1c2cc(F)ccc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251389426 1105656205 /nfs/dbraw/zinc/65/62/05/1105656205.db2.gz LFIYBRTWXPORDH-UHFFFAOYSA-N -1 1 301.277 3.476 20 5 DGBDMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000432223403 238122502 /nfs/dbraw/zinc/12/25/02/238122502.db2.gz NQOXXJKAPITOBP-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC000135607581 432127850 /nfs/dbraw/zinc/12/78/50/432127850.db2.gz CRBQHRSSDNGRNR-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338931604 284423282 /nfs/dbraw/zinc/42/32/82/284423282.db2.gz OGDNODAATTZTMA-UHFFFAOYSA-N -1 1 324.268 3.063 20 5 DGBDMM Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2s1 ZINC000340478528 253629187 /nfs/dbraw/zinc/62/91/87/253629187.db2.gz RLDOCDHRPCYFBV-UHFFFAOYSA-N -1 1 302.315 3.093 20 5 DGBDMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000343077874 254096028 /nfs/dbraw/zinc/09/60/28/254096028.db2.gz JPTDQUSCCVMTIN-QMMMGPOBSA-N -1 1 322.267 3.070 20 5 DGBDMM COc1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000345429587 254362325 /nfs/dbraw/zinc/36/23/25/254362325.db2.gz YFQOUWRQXRQIRV-UHFFFAOYSA-N -1 1 309.709 3.146 20 5 DGBDMM CCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032586490 400370025 /nfs/dbraw/zinc/37/00/25/400370025.db2.gz AMSUKXIUUDMKDB-UHFFFAOYSA-N -1 1 320.370 3.266 20 5 DGBDMM COc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c([O-])c1 ZINC000135456491 400587152 /nfs/dbraw/zinc/58/71/52/400587152.db2.gz VBLHVQHNCJTAAU-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CC(C)(C)n1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000065946749 401285794 /nfs/dbraw/zinc/28/57/94/401285794.db2.gz LHEUWQKFCNRYPW-UHFFFAOYSA-N -1 1 305.294 3.198 20 5 DGBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1c(F)ccc(F)c1F ZINC000347978232 264318008 /nfs/dbraw/zinc/31/80/08/264318008.db2.gz LIZXSTXYSSXHGR-UHFFFAOYSA-N -1 1 314.194 3.404 20 5 DGBDMM O=[N+]([O-])c1ccc(-c2nc(COc3ccc(Cl)cc3)no2)[n-]1 ZINC000356014335 266257277 /nfs/dbraw/zinc/25/72/77/266257277.db2.gz ANUPQNALUZEXEC-UHFFFAOYSA-N -1 1 320.692 3.205 20 5 DGBDMM O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000356318371 266353756 /nfs/dbraw/zinc/35/37/56/266353756.db2.gz WSJHQTFOGVAJTJ-UHFFFAOYSA-N -1 1 324.296 3.363 20 5 DGBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032585469 431784971 /nfs/dbraw/zinc/78/49/71/431784971.db2.gz NWTVOHNVIRRTSJ-UHFFFAOYSA-N -1 1 306.343 3.012 20 5 DGBDMM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000101652536 431987672 /nfs/dbraw/zinc/98/76/72/431987672.db2.gz UQWDPWVRSOMQTG-UHFFFAOYSA-N -1 1 322.704 3.215 20 5 DGBDMM CCCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2F)co1 ZINC000282399731 433594321 /nfs/dbraw/zinc/59/43/21/433594321.db2.gz KLDSPTYPYCYVGP-UHFFFAOYSA-N -1 1 307.281 3.235 20 5 DGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc([O-])c(Cl)c1 ZINC000357363905 433971698 /nfs/dbraw/zinc/97/16/98/433971698.db2.gz WOEZNPLLMPXJSE-UHFFFAOYSA-N -1 1 324.695 3.274 20 5 DGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCSC[C@H]1C1CCC1 ZINC000418120351 434591671 /nfs/dbraw/zinc/59/16/71/434591671.db2.gz BBPAAGVRFIKFAK-HNNXBMFYSA-N -1 1 308.403 3.018 20 5 DGBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1[O-] ZINC000522238966 434918986 /nfs/dbraw/zinc/91/89/86/434918986.db2.gz GDSATZNDWFSAAV-UHFFFAOYSA-N -1 1 322.320 3.384 20 5 DGBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000485098749 435559343 /nfs/dbraw/zinc/55/93/43/435559343.db2.gz HQUFENPFOQUCGC-UHFFFAOYSA-N -1 1 324.333 3.152 20 5 DGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000536699405 313780984 /nfs/dbraw/zinc/78/09/84/313780984.db2.gz DXCAZFGYAYUVGH-UHFFFAOYSA-N -1 1 320.370 3.321 20 5 DGBDMM CCc1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)onc1C(F)(F)F ZINC000579608857 323893805 /nfs/dbraw/zinc/89/38/05/323893805.db2.gz FNNWUUIVTLTMAO-UHFFFAOYSA-N -1 1 319.195 3.009 20 5 DGBDMM CSc1ccc([O-])c(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1 ZINC000854060969 620766116 /nfs/dbraw/zinc/76/61/16/620766116.db2.gz RPYSDGNXLORVIP-UHFFFAOYSA-N -1 1 323.374 3.152 20 5 DGBDMM C[C@@H](NCc1nc2c(s1)CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903191651 619733346 /nfs/dbraw/zinc/73/33/46/619733346.db2.gz ZLFPIOJWSBHMRW-SECBINFHSA-N -1 1 319.386 3.096 20 5 DGBDMM Cc1sc(Cl)nc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000788128561 621313216 /nfs/dbraw/zinc/31/32/16/621313216.db2.gz XVLBDZCCSXKHAQ-UHFFFAOYSA-N -1 1 315.713 3.405 20 5 DGBDMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000790047112 625596436 /nfs/dbraw/zinc/59/64/36/625596436.db2.gz FRTMQYFBIOTNQG-MRVPVSSYSA-N -1 1 321.720 3.091 20 5 DGBDMM O=C([O-])/C=C/c1cnc(/C=C\c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000772808735 622943120 /nfs/dbraw/zinc/94/31/20/622943120.db2.gz WMIKOMWAGSFCTG-PASXFABESA-N -1 1 318.310 3.025 20 5 DGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000780076908 623858360 /nfs/dbraw/zinc/85/83/60/623858360.db2.gz YTIICZZJRORERL-QMMMGPOBSA-N -1 1 323.251 3.497 20 5 DGBDMM COc1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2c1 ZINC000804306728 626667772 /nfs/dbraw/zinc/66/77/72/626667772.db2.gz ITEGBMLTIGHECF-UHFFFAOYSA-N -1 1 311.297 3.337 20 5 DGBDMM COc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c([O-])c1 ZINC000135453811 626932372 /nfs/dbraw/zinc/93/23/72/626932372.db2.gz XIUJHERTQXQGRC-UHFFFAOYSA-N -1 1 320.276 3.009 20 5 DGBDMM C[C@H](C(=O)[O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826051969 628822954 /nfs/dbraw/zinc/82/29/54/628822954.db2.gz FUVHLNXEGSGGJM-LRDDRELGSA-N -1 1 314.341 3.146 20 5 DGBDMM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000089408345 658408035 /nfs/dbraw/zinc/40/80/35/658408035.db2.gz QLVMOMHKOYQJHW-UHFFFAOYSA-N -1 1 309.709 3.359 20 5 DGBDMM CC(C)(C)CCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589124554 1192458798 /nfs/dbraw/zinc/45/87/98/1192458798.db2.gz ICGVRGGKTUTTTP-UHFFFAOYSA-N -1 1 304.354 3.013 20 5 DGBDMM CC(C)(C)CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589124554 1192458799 /nfs/dbraw/zinc/45/87/99/1192458799.db2.gz ICGVRGGKTUTTTP-UHFFFAOYSA-N -1 1 304.354 3.013 20 5 DGBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC001591729674 1192570654 /nfs/dbraw/zinc/57/06/54/1192570654.db2.gz BRGNFLAWTYDFIX-MRVPVSSYSA-N -1 1 316.346 3.010 20 5 DGBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccs1 ZINC001591729674 1192570659 /nfs/dbraw/zinc/57/06/59/1192570659.db2.gz BRGNFLAWTYDFIX-MRVPVSSYSA-N -1 1 316.346 3.010 20 5 DGBDMM O=[N+]([O-])c1cc(Oc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC001593475699 1192631487 /nfs/dbraw/zinc/63/14/87/1192631487.db2.gz ZMIRFFYUNUUAQT-UHFFFAOYSA-N -1 1 317.692 3.221 20 5 DGBDMM O=[N+]([O-])c1cc(Oc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001593475699 1192631491 /nfs/dbraw/zinc/63/14/91/1192631491.db2.gz ZMIRFFYUNUUAQT-UHFFFAOYSA-N -1 1 317.692 3.221 20 5 DGBDMM O=[N+]([O-])c1cc(NCCC2=CCCCC2)ccc1-c1nn[n-]n1 ZINC001593474573 1192631703 /nfs/dbraw/zinc/63/17/03/1192631703.db2.gz UCFKPOSWWGSBCI-UHFFFAOYSA-N -1 1 314.349 3.077 20 5 DGBDMM CC(C)(C)C1=CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001603312144 1193015143 /nfs/dbraw/zinc/01/51/43/1193015143.db2.gz ASJQRJDDYFBDMF-UHFFFAOYSA-N -1 1 318.373 3.471 20 5 DGBDMM Cc1cc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])ccc1F ZINC001605744267 1193168068 /nfs/dbraw/zinc/16/80/68/1193168068.db2.gz GMQXPJHKSZVULY-UHFFFAOYSA-N -1 1 320.309 3.028 20 5 DGBDMM Cc1cc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])ccc1F ZINC001605744267 1193168073 /nfs/dbraw/zinc/16/80/73/1193168073.db2.gz GMQXPJHKSZVULY-UHFFFAOYSA-N -1 1 320.309 3.028 20 5 DGBDMM CC[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610003531 1193371814 /nfs/dbraw/zinc/37/18/14/1193371814.db2.gz XWIQIZDJEFNZPT-UHFFFAOYSA-N -1 1 314.341 3.315 20 5 DGBDMM CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610003531 1193371818 /nfs/dbraw/zinc/37/18/18/1193371818.db2.gz XWIQIZDJEFNZPT-UHFFFAOYSA-N -1 1 314.341 3.315 20 5 DGBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001611167293 1193425081 /nfs/dbraw/zinc/42/50/81/1193425081.db2.gz ZYPQCNKHEVIZSD-UHFFFAOYSA-N -1 1 321.720 3.218 20 5 DGBDMM CCC1(CC)CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001568471166 1190532602 /nfs/dbraw/zinc/53/26/02/1190532602.db2.gz BKCXNGUBRTVAIB-UHFFFAOYSA-N -1 1 321.377 3.174 20 5 DGBDMM CSCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001631656227 1194348141 /nfs/dbraw/zinc/34/81/41/1194348141.db2.gz XJJWDSLNTCRAPY-UHFFFAOYSA-N -1 1 305.359 3.081 20 5 DGBDMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC001640613576 1194821935 /nfs/dbraw/zinc/82/19/35/1194821935.db2.gz ZCGQCRXGPHUSJN-MRVPVSSYSA-N -1 1 322.267 3.321 20 5 DGBDMM Cc1ccc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c([O-])c1 ZINC001651109219 1195416144 /nfs/dbraw/zinc/41/61/44/1195416144.db2.gz GIWXSCIFRVIPJU-UHFFFAOYSA-N -1 1 323.308 3.409 20 5 DGBDMM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001652753079 1195647995 /nfs/dbraw/zinc/64/79/95/1195647995.db2.gz HKFZLVGAGSZTPQ-HZPDHXFCSA-N -1 1 322.405 3.326 20 5 DGBDMM