smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2csc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000007889395 181505280 /nfs/dbraw/zinc/50/52/80/181505280.db2.gz ULYWFPMJHHNLFB-UHFFFAOYSA-N 0 0 302.380 4.755 20 5 DJBDRN C[C@@H](Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000020090414 182185792 /nfs/dbraw/zinc/18/57/92/182185792.db2.gz MBRZFYUBLFQXTJ-SNVBAGLBSA-N 0 0 321.174 4.530 20 5 DJBDRN Cc1ccc(OCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000071810321 184848240 /nfs/dbraw/zinc/84/82/40/184848240.db2.gz LFGVYTLKMJRRQP-UHFFFAOYSA-N 0 0 311.259 4.501 20 5 DJBDRN Cc1sc(-c2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000071971789 184915760 /nfs/dbraw/zinc/91/57/60/184915760.db2.gz NCEIEFXWYCAXQP-UHFFFAOYSA-N 0 0 314.341 4.833 20 5 DJBDRN Cc1noc(C)c1CS[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000180682196 331576321 /nfs/dbraw/zinc/57/63/21/331576321.db2.gz KRTCJIQITXYYSX-GFCCVEGCSA-N 0 0 306.387 4.502 20 5 DJBDRN C[C@H](SCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000565520323 331707586 /nfs/dbraw/zinc/70/75/86/331707586.db2.gz HQTAFIPFXVNRBU-ZDUSSCGKSA-N 0 0 309.431 4.596 20 5 DJBDRN O=[N+]([O-])c1cccc(F)c1Oc1ccc(-c2ccccc2)nc1 ZINC000557617680 331802744 /nfs/dbraw/zinc/80/27/44/331802744.db2.gz BEDODAGXZKOQKX-UHFFFAOYSA-N 0 0 310.284 4.588 20 5 DJBDRN CCCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000559074945 331971606 /nfs/dbraw/zinc/97/16/06/331971606.db2.gz LRBBXAOAICTUPD-UHFFFAOYSA-N 0 0 319.405 4.562 20 5 DJBDRN CCC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000008204887 331978873 /nfs/dbraw/zinc/97/88/73/331978873.db2.gz FIDWSBIIGDFRLV-MRXNPFEDSA-N 0 0 312.369 4.751 20 5 DJBDRN O=[N+]([O-])c1cnc(N[C@@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000409721990 332051257 /nfs/dbraw/zinc/05/12/57/332051257.db2.gz TZCUQWNYVARTJI-CQSZACIVSA-N 0 0 321.377 4.534 20 5 DJBDRN O=[N+]([O-])c1cccnc1SCc1ccc(Cl)c(Cl)c1 ZINC000518520804 332072193 /nfs/dbraw/zinc/07/21/93/332072193.db2.gz LAAZOVSKQMZYAS-UHFFFAOYSA-N 0 0 315.181 4.589 20 5 DJBDRN O=[N+]([O-])c1ccc(/C(=C/c2cccc(F)c2)c2ccncc2)cc1 ZINC000215737016 332199733 /nfs/dbraw/zinc/19/97/33/332199733.db2.gz AXSQKHCNNGRRQH-UYRXBGFRSA-N 0 0 320.323 4.718 20 5 DJBDRN Cc1cnc([C@H](C)S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000427682933 332485845 /nfs/dbraw/zinc/48/58/45/332485845.db2.gz PGYQQANAQJEBCZ-STQMWFEESA-N 0 0 317.414 4.557 20 5 DJBDRN C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178657435 333017870 /nfs/dbraw/zinc/01/78/70/333017870.db2.gz RIGPGWDXFXCIIS-QWRGUYRKSA-N 0 0 322.767 4.799 20 5 DJBDRN CC(=O)c1ccc(N[C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC000514485138 333138307 /nfs/dbraw/zinc/13/83/07/333138307.db2.gz KCPJQQZJVCNAIP-GOSISDBHSA-N 0 0 312.369 4.607 20 5 DJBDRN CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000463052458 333144739 /nfs/dbraw/zinc/14/47/39/333144739.db2.gz IDPNAHYQDIUONU-ZDUSSCGKSA-N 0 0 305.765 4.515 20 5 DJBDRN CCC(CC)N(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000525881808 335130350 /nfs/dbraw/zinc/13/03/50/335130350.db2.gz GQGATZSHHPNHDX-UHFFFAOYSA-N 0 0 318.417 4.511 20 5 DJBDRN Cc1ccc([C@@H](C)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000390330033 333267833 /nfs/dbraw/zinc/26/78/33/333267833.db2.gz ZLWPWCJICDMPBY-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000020526159 333319979 /nfs/dbraw/zinc/31/99/79/333319979.db2.gz WYMAVFOHSVNVMD-NWDGAFQWSA-N 0 0 304.777 4.660 20 5 DJBDRN CC(C)COc1ccccc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000390969574 333412080 /nfs/dbraw/zinc/41/20/80/333412080.db2.gz DSJPVQJYPHAPCL-AWEZNQCLSA-N 0 0 314.385 4.803 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2cccc(Oc3ccccc3)c2)cc1 ZINC000391976110 335142141 /nfs/dbraw/zinc/14/21/41/335142141.db2.gz AHEUPSOJGWSIER-UHFFFAOYSA-N 0 0 320.348 4.999 20 5 DJBDRN Cc1cc([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])c(C)o1 ZINC000320812998 335144796 /nfs/dbraw/zinc/14/47/96/335144796.db2.gz LSADXCHREOYDPE-LLVKDONJSA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1c(F)cccc1Cl ZINC000531949656 334303888 /nfs/dbraw/zinc/30/38/88/334303888.db2.gz QNLXBXAUTAIQOQ-LLVKDONJSA-N 0 0 322.767 4.547 20 5 DJBDRN CC(C)Sc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000443512084 338453237 /nfs/dbraw/zinc/45/32/37/338453237.db2.gz RWORWNMRJRASDQ-JTQLQIEISA-N 0 0 323.443 4.725 20 5 DJBDRN O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000049390064 334748521 /nfs/dbraw/zinc/74/85/21/334748521.db2.gz GTQCBKODMOPWCS-UHFFFAOYSA-N 0 0 312.108 4.506 20 5 DJBDRN Cc1cc(NCc2ccc([N+](=O)[O-])cc2F)ccc1C1CC1 ZINC000479405116 335292930 /nfs/dbraw/zinc/29/29/30/335292930.db2.gz CKZMCJPGUMNSBR-UHFFFAOYSA-N 0 0 300.333 4.532 20 5 DJBDRN COc1ccc([N+](=O)[O-])cc1CS[C@@H](C)c1ccccc1 ZINC000520665002 336003824 /nfs/dbraw/zinc/00/38/24/336003824.db2.gz PLUGCYRQQYVAJJ-LBPRGKRZSA-N 0 0 303.383 4.598 20 5 DJBDRN O=[N+]([O-])c1ccccc1CNc1cccc(Oc2ccccc2)c1 ZINC000324401514 336211404 /nfs/dbraw/zinc/21/14/04/336211404.db2.gz PINWHIJGMKTJRT-UHFFFAOYSA-N 0 0 320.348 4.999 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1Cl ZINC000043474159 336254557 /nfs/dbraw/zinc/25/45/57/336254557.db2.gz SHSYWYYBEHNBGL-MRVPVSSYSA-N 0 0 312.703 4.700 20 5 DJBDRN O=[N+]([O-])c1ccc(NCc2cc3ccccc3o2)c2ncccc12 ZINC000301075225 336288716 /nfs/dbraw/zinc/28/87/16/336288716.db2.gz FSOMVWOXEIMLJD-UHFFFAOYSA-N 0 0 319.320 4.501 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000301173346 336293283 /nfs/dbraw/zinc/29/32/83/336293283.db2.gz FJVRLPYXWIXRFR-VIFPVBQESA-N 0 0 323.393 4.661 20 5 DJBDRN CC(C)Sc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000301214740 336295255 /nfs/dbraw/zinc/29/52/55/336295255.db2.gz XENSQVQGXYUMEZ-GFCCVEGCSA-N 0 0 317.414 4.663 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000301558375 336314843 /nfs/dbraw/zinc/31/48/43/336314843.db2.gz JLFGNUWQPZFROK-CYBMUJFWSA-N 0 0 323.352 4.731 20 5 DJBDRN CC(C)Oc1cccc([C@@H](C)Nc2sccc2[N+](=O)[O-])c1 ZINC000301992564 336341989 /nfs/dbraw/zinc/34/19/89/336341989.db2.gz NZVCZFBUACWTER-LLVKDONJSA-N 0 0 306.387 4.617 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2nc3ccccc3s2)c2cccnc21 ZINC000302236613 336355692 /nfs/dbraw/zinc/35/56/92/336355692.db2.gz FZUJQHGNWSIIAQ-UHFFFAOYSA-N 0 0 323.333 4.545 20 5 DJBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000035046777 337740756 /nfs/dbraw/zinc/74/07/56/337740756.db2.gz UJZXNNGWLHVWAL-GFCCVEGCSA-N 0 0 320.801 4.897 20 5 DJBDRN O=[N+]([O-])c1ccccc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000515551165 337992604 /nfs/dbraw/zinc/99/26/04/337992604.db2.gz BFPDSJMKUZQSPS-CQSZACIVSA-N 0 0 302.761 4.590 20 5 DJBDRN Cc1ccc(SCc2nc3cc([N+](=O)[O-])ccc3o2)cc1C ZINC000434806588 338225972 /nfs/dbraw/zinc/22/59/72/338225972.db2.gz BHMBAIOWKLLEOL-UHFFFAOYSA-N 0 0 314.366 4.645 20 5 DJBDRN Cc1ccc(C)c(SCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000434817976 338226142 /nfs/dbraw/zinc/22/61/42/338226142.db2.gz XRUUIGZFXBMXGO-UHFFFAOYSA-N 0 0 314.366 4.645 20 5 DJBDRN Cc1cc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)cc(C)c1O ZINC000436807016 338288193 /nfs/dbraw/zinc/28/81/93/338288193.db2.gz JSKNFSLFGMTDGO-SREVYHEPSA-N 0 0 320.348 4.636 20 5 DJBDRN CC(C)c1ccc(C(=O)N(C(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000439141722 338362371 /nfs/dbraw/zinc/36/23/71/338362371.db2.gz MDCPHKNLLFWPBT-UHFFFAOYSA-N 0 0 318.417 4.511 20 5 DJBDRN O=[N+]([O-])c1cccc(Oc2ncnc3sc4ccccc4c32)c1 ZINC000440633052 338393354 /nfs/dbraw/zinc/39/33/54/338393354.db2.gz ABQKYITVUXUHQQ-UHFFFAOYSA-N 0 0 323.333 4.545 20 5 DJBDRN CN(C(=O)c1cc2ccccc2c2cccnc12)C1CC(C)(C)C1 ZINC000458204223 338991863 /nfs/dbraw/zinc/99/18/63/338991863.db2.gz JUYJGFHZENTJSO-UHFFFAOYSA-N 0 0 318.420 4.649 20 5 DJBDRN Cc1cc(N[C@H](C)CCCC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000461939912 339069251 /nfs/dbraw/zinc/06/92/51/339069251.db2.gz YXWKRWSBQLERFZ-SECBINFHSA-N 0 0 308.275 4.575 20 5 DJBDRN Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000462186164 339073462 /nfs/dbraw/zinc/07/34/62/339073462.db2.gz FYHKAQQFRGPTEQ-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1 ZINC000462389889 339077915 /nfs/dbraw/zinc/07/79/15/339077915.db2.gz PDDDTOSECADHHR-CYBMUJFWSA-N 0 0 322.311 4.759 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c2ccncc21 ZINC000462904418 339097109 /nfs/dbraw/zinc/09/71/09/339097109.db2.gz UQOOPYLPDBIUIQ-BFHYXJOUSA-N 0 0 311.385 4.524 20 5 DJBDRN Cc1ccc2[nH]c(S[C@H](C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000463039102 339102449 /nfs/dbraw/zinc/10/24/49/339102449.db2.gz XOJJUKMDUANBER-LLVKDONJSA-N 0 0 313.382 4.633 20 5 DJBDRN COc1ccccc1[C@H](C)Sc1ccc(F)cc1[N+](=O)[O-] ZINC000463077099 339104723 /nfs/dbraw/zinc/10/47/23/339104723.db2.gz FFWPBQNLHCBOLG-JTQLQIEISA-N 0 0 307.346 4.596 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000463247251 339111775 /nfs/dbraw/zinc/11/17/75/339111775.db2.gz MCRQHTMLCCXDCG-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN CCCCCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000463950345 339129872 /nfs/dbraw/zinc/12/98/72/339129872.db2.gz LWJRDPGSGRMFEM-UHFFFAOYSA-N 0 0 321.421 4.644 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C/C=C/c1ccc(C)cc1 ZINC000464717593 339149845 /nfs/dbraw/zinc/14/98/45/339149845.db2.gz YLWZDYCHDNGIRP-SNAWJCMRSA-N 0 0 324.380 4.508 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)C)s1 ZINC000464725419 339150080 /nfs/dbraw/zinc/15/00/80/339150080.db2.gz XQAYVVPZGBOVKB-UHFFFAOYSA-N 0 0 318.398 4.594 20 5 DJBDRN Cc1cc(N[C@@H](c2ccccc2Cl)C(C)C)ncc1[N+](=O)[O-] ZINC000470866768 339329439 /nfs/dbraw/zinc/32/94/39/339329439.db2.gz YGZJQKDIJXIGNK-MRXNPFEDSA-N 0 0 319.792 4.761 20 5 DJBDRN C[C@H](SCCCCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000473779363 339391771 /nfs/dbraw/zinc/39/17/71/339391771.db2.gz OUOISKPICYZRAD-ZDUSSCGKSA-N 0 0 311.447 4.984 20 5 DJBDRN C[C@H](Sc1ncc(C(C)(C)C)o1)c1ccccc1[N+](=O)[O-] ZINC000474412566 339413372 /nfs/dbraw/zinc/41/33/72/339413372.db2.gz MCRIYKQNMJXYSC-JTQLQIEISA-N 0 0 306.387 4.734 20 5 DJBDRN CCN(CC1CCC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000478313241 339513220 /nfs/dbraw/zinc/51/32/20/339513220.db2.gz RSIDONKMGJZCGP-UHFFFAOYSA-N 0 0 318.420 4.650 20 5 DJBDRN CC(C)(C)Oc1cc(F)ccc1NCc1ccccc1[N+](=O)[O-] ZINC000498407866 339529247 /nfs/dbraw/zinc/52/92/47/339529247.db2.gz BBXZSDPCCIDKOT-UHFFFAOYSA-N 0 0 318.348 4.523 20 5 DJBDRN Cc1c([C@@H](C)N[C@H](C)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000480911211 339590492 /nfs/dbraw/zinc/59/04/92/339590492.db2.gz OZAVNNCNPYNGCF-VXGBXAGGSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nccn1C(C)C ZINC000484661711 339691916 /nfs/dbraw/zinc/69/19/16/339691916.db2.gz DCBVQZOULHRDJN-LBPRGKRZSA-N 0 0 305.403 4.534 20 5 DJBDRN CCOc1ccc([N+](=O)[O-])cc1NCc1ccc(C(F)F)cc1 ZINC000486102691 339721139 /nfs/dbraw/zinc/72/11/39/339721139.db2.gz KLOVAJXWKLQSPN-UHFFFAOYSA-N 0 0 322.311 4.543 20 5 DJBDRN Cc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000488241527 339774258 /nfs/dbraw/zinc/77/42/58/339774258.db2.gz KRUQWDJBWIITNQ-KRWDZBQOSA-N 0 0 300.333 4.606 20 5 DJBDRN CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000494989713 339969134 /nfs/dbraw/zinc/96/91/34/339969134.db2.gz UWQMXCHWVBCHJQ-BLLLJJGKSA-N 0 0 302.349 4.536 20 5 DJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]1c1ccccc1 ZINC000498837511 340024224 /nfs/dbraw/zinc/02/42/24/340024224.db2.gz LOYIBMXZUOODTK-ZDUSSCGKSA-N 0 0 322.286 4.565 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1CSc1ccc(F)c(F)c1 ZINC000501153154 340075230 /nfs/dbraw/zinc/07/52/30/340075230.db2.gz ZOTDYHPEEVJTJB-UHFFFAOYSA-N 0 0 315.728 4.819 20 5 DJBDRN CCSc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000505609338 340172867 /nfs/dbraw/zinc/17/28/67/340172867.db2.gz JSVGWMOINZDNSN-LBPRGKRZSA-N 0 0 302.399 4.880 20 5 DJBDRN CCSc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000505609335 340172994 /nfs/dbraw/zinc/17/29/94/340172994.db2.gz JSVGWMOINZDNSN-GFCCVEGCSA-N 0 0 302.399 4.880 20 5 DJBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1c(F)cccc1Cl ZINC000508812573 340253560 /nfs/dbraw/zinc/25/35/60/340253560.db2.gz OHEKBYSDMUMFEU-NSHDSACASA-N 0 0 322.767 4.580 20 5 DJBDRN C[C@H](Sc1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000509090426 340261004 /nfs/dbraw/zinc/26/10/04/340261004.db2.gz SGGWDQXLOXJBNX-JTQLQIEISA-N 0 0 300.339 4.589 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2ccccc2Oc2ccccc2)c1 ZINC000302835013 340283354 /nfs/dbraw/zinc/28/33/54/340283354.db2.gz ZBVANWLLTVCZKI-UHFFFAOYSA-N 0 0 320.348 4.999 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2csc(CCc3ccccc3)n2)c1 ZINC000303025756 340296451 /nfs/dbraw/zinc/29/64/51/340296451.db2.gz SEMZLDRGWLNHIA-UHFFFAOYSA-N 0 0 310.378 4.504 20 5 DJBDRN Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000511698228 340335471 /nfs/dbraw/zinc/33/54/71/340335471.db2.gz NMSNTZLQXKDSOX-KRWDZBQOSA-N 0 0 319.364 4.551 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2ccc(-c3nc4cnccc4s3)o2)c1 ZINC000513859848 340429118 /nfs/dbraw/zinc/42/91/18/340429118.db2.gz QLZWRSYGFLTNLN-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cs1 ZINC000513863253 340429140 /nfs/dbraw/zinc/42/91/40/340429140.db2.gz FYXLJDIDMRYIGK-UHFFFAOYSA-N 0 0 314.153 4.506 20 5 DJBDRN Cc1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])c(Cl)c1 ZINC000524849463 340682536 /nfs/dbraw/zinc/68/25/36/340682536.db2.gz KLLNBAVEFDXZBG-UHFFFAOYSA-N 0 0 314.728 4.897 20 5 DJBDRN CSc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000538498501 340828506 /nfs/dbraw/zinc/82/85/06/340828506.db2.gz GRBMCAQDCQTORV-LBPRGKRZSA-N 0 0 302.399 4.798 20 5 DJBDRN CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000540339600 340927525 /nfs/dbraw/zinc/92/75/25/340927525.db2.gz PISBYKZQECHDER-BZNIZROVSA-N 0 0 320.339 4.675 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2cccc(C(F)F)c2Cl)cc1 ZINC000544597009 341087802 /nfs/dbraw/zinc/08/78/02/341087802.db2.gz HRPAXVTZTFEOAJ-UHFFFAOYSA-N 0 0 312.703 4.798 20 5 DJBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000544959502 341101320 /nfs/dbraw/zinc/10/13/20/341101320.db2.gz 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Cc1cc(N[C@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000390553190 333298210 /nfs/dbraw/zinc/29/82/10/333298210.db2.gz KSCXDKOZXOYNAV-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN O=[N+]([O-])c1cccc2c1ccn2Cc1ccccc1C(F)(F)F ZINC000323541612 333384309 /nfs/dbraw/zinc/38/43/09/333384309.db2.gz ONTWRYFGDNSOAO-UHFFFAOYSA-N 0 0 320.270 4.617 20 5 DJBDRN C[C@H](SCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000522756158 333385655 /nfs/dbraw/zinc/38/56/55/333385655.db2.gz LPHQWRCPEPJDNN-JTQLQIEISA-N 0 0 309.337 4.867 20 5 DJBDRN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000276551949 334081576 /nfs/dbraw/zinc/08/15/76/334081576.db2.gz QOJBAEFJWGEZIZ-UWVGGRQHSA-N 0 0 310.806 4.722 20 5 DJBDRN O=[N+]([O-])c1cnc(Nc2ccc(Nc3ccccc3)cc2)s1 ZINC000443404946 338450853 /nfs/dbraw/zinc/45/08/53/338450853.db2.gz IGKRPDWNLLVVKA-UHFFFAOYSA-N 0 0 312.354 4.539 20 5 DJBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1Cl ZINC000443519068 338453528 /nfs/dbraw/zinc/45/35/28/338453528.db2.gz 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ZINC000301130728 336291452 /nfs/dbraw/zinc/29/14/52/336291452.db2.gz UGVZLUIDQVBRSZ-UHFFFAOYSA-N 0 0 320.348 4.563 20 5 DJBDRN CC(C)(C)OCc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000301145174 336292090 /nfs/dbraw/zinc/29/20/90/336292090.db2.gz AICUSJDKOXDNIF-UHFFFAOYSA-N 0 0 314.385 4.522 20 5 DJBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000301270264 336297840 /nfs/dbraw/zinc/29/78/40/336297840.db2.gz JNMFCZOBLQSWNL-SECBINFHSA-N 0 0 317.732 4.563 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000301418577 336305418 /nfs/dbraw/zinc/30/54/18/336305418.db2.gz CXIVEHFOTMQXPA-AWEZNQCLSA-N 0 0 319.364 4.830 20 5 DJBDRN Cc1cc(N[C@H](C)c2cc3ccccc3s2)ncc1[N+](=O)[O-] ZINC000301437168 336306658 /nfs/dbraw/zinc/30/66/58/336306658.db2.gz MXRWNOXOBIZSEY-LLVKDONJSA-N 0 0 313.382 4.686 20 5 DJBDRN Cc1c2ccccc2oc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000301454115 336307705 /nfs/dbraw/zinc/30/77/05/336307705.db2.gz VQSOYAXKSRWZIB-LBPRGKRZSA-N 0 0 311.341 4.526 20 5 DJBDRN COc1cc(N[C@H](C)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000301479827 336309534 /nfs/dbraw/zinc/30/95/34/336309534.db2.gz DAUWSCYYXFZHKP-SECBINFHSA-N 0 0 324.739 4.569 20 5 DJBDRN Cc1csc([C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000301483333 336309711 /nfs/dbraw/zinc/30/97/11/336309711.db2.gz ZOMIQIGZFJHNIT-ZDUSSCGKSA-N 0 0 323.805 4.576 20 5 DJBDRN Cc1nc(N[C@H](C)c2cc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000301651360 336320904 /nfs/dbraw/zinc/32/09/04/336320904.db2.gz JXSYHVCYYOPXEO-LLVKDONJSA-N 0 0 313.382 4.686 20 5 DJBDRN Cc1nc(N[C@@H](C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000301669475 336322282 /nfs/dbraw/zinc/32/22/82/336322282.db2.gz YFJKRVOHGDWOFS-LBPRGKRZSA-N 0 0 307.353 4.625 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc2ccccc2c1 ZINC000301734782 336326336 /nfs/dbraw/zinc/32/63/36/336326336.db2.gz GRGSIFMPTXYRCV-UHFFFAOYSA-N 0 0 300.701 4.589 20 5 DJBDRN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000301735973 336326455 /nfs/dbraw/zinc/32/64/55/336326455.db2.gz HGLMMJBSGXEQHJ-SECBINFHSA-N 0 0 317.732 4.563 20 5 DJBDRN Cc1csc([C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000301742575 336326924 /nfs/dbraw/zinc/32/69/24/336326924.db2.gz FQNSTRGFROZOSL-CYBMUJFWSA-N 0 0 323.805 4.576 20 5 DJBDRN O=[N+]([O-])c1ccsc1Sc1ncc(-c2ccc(F)cc2)o1 ZINC000302001266 336342443 /nfs/dbraw/zinc/34/24/43/336342443.db2.gz RYLRHRHAAHDUGS-UHFFFAOYSA-N 0 0 322.342 4.602 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc2scnc2c1 ZINC000582880923 337214425 /nfs/dbraw/zinc/21/44/25/337214425.db2.gz FZUQDMINUKWLPN-NSHDSACASA-N 0 0 313.382 4.686 20 5 DJBDRN Cc1cc(N[C@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000321617310 337279596 /nfs/dbraw/zinc/27/95/96/337279596.db2.gz TXPGAPGEWXHKRQ-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN CO[C@H](CS[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000583765646 337331777 /nfs/dbraw/zinc/33/17/77/337331777.db2.gz AVWUNZOGBXLBDD-SUMWQHHRSA-N 0 0 317.410 4.777 20 5 DJBDRN Cc1cccc(-c2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)c1 ZINC000571916742 337582931 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O=[N+]([O-])c1ccccc1Oc1ccc(Oc2ccccc2)nc1 ZINC000428659218 338058082 /nfs/dbraw/zinc/05/80/82/338058082.db2.gz GQZXNIDDNNNLEG-UHFFFAOYSA-N 0 0 308.293 4.574 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(C3CC3)cc2Cl)n1 ZINC000432171662 338147928 /nfs/dbraw/zinc/14/79/28/338147928.db2.gz GGKWBSLGBACRCA-UHFFFAOYSA-N 0 0 304.733 4.621 20 5 DJBDRN C[C@H](SCCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000437290759 338306304 /nfs/dbraw/zinc/30/63/04/338306304.db2.gz LEXHWDOMNCIIKY-LBPRGKRZSA-N 0 0 321.373 4.607 20 5 DJBDRN CCCCOc1cccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000439561444 338373057 /nfs/dbraw/zinc/37/30/57/338373057.db2.gz HZQIFIYORILJAK-AWEZNQCLSA-N 0 0 314.385 4.947 20 5 DJBDRN Cc1nc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000446796687 338536125 /nfs/dbraw/zinc/53/61/25/338536125.db2.gz MRIOCGMQWWZLKV-NSHDSACASA-N 0 0 308.428 4.663 20 5 DJBDRN CCCCOc1cccc(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000462233651 339074745 /nfs/dbraw/zinc/07/47/45/339074745.db2.gz DXKSRXLFWRQYOZ-UHFFFAOYSA-N 0 0 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O=[N+]([O-])c1cc(CNc2ccc3c4c(cccc42)CC3)cs1 ZINC000462201955 339073950 /nfs/dbraw/zinc/07/39/50/339073950.db2.gz VBDJVYOCDUAEKX-UHFFFAOYSA-N 0 0 310.378 4.520 20 5 DJBDRN CCCCc1nc(CNc2cc([N+](=O)[O-])c(C)cc2C)cs1 ZINC000462209430 339074096 /nfs/dbraw/zinc/07/40/96/339074096.db2.gz KPKWYDPNNWWQAQ-UHFFFAOYSA-N 0 0 319.430 4.623 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2cccc(-c3cccs3)c2)c1 ZINC000462239788 339074839 /nfs/dbraw/zinc/07/48/39/339074839.db2.gz SYOGFFCKFYHAJB-UHFFFAOYSA-N 0 0 310.378 4.935 20 5 DJBDRN Cc1cnc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000463052708 339103169 /nfs/dbraw/zinc/10/31/69/339103169.db2.gz FVWLCTKWFWSONW-OAHLLOKOSA-N 0 0 317.776 4.515 20 5 DJBDRN Cc1cnc(S[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000463054161 339103292 /nfs/dbraw/zinc/10/32/92/339103292.db2.gz KWUBPPOEUDEPFQ-JTQLQIEISA-N 0 0 308.790 4.805 20 5 DJBDRN Cc1cnc(Oc2ccc(Cc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000463055551 339103388 /nfs/dbraw/zinc/10/33/88/339103388.db2.gz 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339336228 /nfs/dbraw/zinc/33/62/28/339336228.db2.gz PXRLHJPAHAAVDF-VIFPVBQESA-N 0 0 311.794 4.576 20 5 DJBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccc(Cl)cc1 ZINC000471249691 339341101 /nfs/dbraw/zinc/34/11/01/339341101.db2.gz IXQMICUEEAFOIR-NSHDSACASA-N 0 0 323.755 4.533 20 5 DJBDRN CCC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000471560617 339347560 /nfs/dbraw/zinc/34/75/60/339347560.db2.gz RGZYMJAFRDCGKW-UHFFFAOYSA-N 0 0 323.707 4.772 20 5 DJBDRN CSc1ccc(Oc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC000473515493 339386637 /nfs/dbraw/zinc/38/66/37/339386637.db2.gz YKDPIJXXEVBJRJ-UHFFFAOYSA-N 0 0 312.350 4.657 20 5 DJBDRN C[C@@H](Sc1ncc(C(C)(C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC000474400274 339412726 /nfs/dbraw/zinc/41/27/26/339412726.db2.gz SJVVOUBWLZFTOE-SNVBAGLBSA-N 0 0 306.387 4.734 20 5 DJBDRN CC[C@@H](Nc1cnn([C@@H](C)CC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000477923075 339504725 /nfs/dbraw/zinc/50/47/25/339504725.db2.gz NHZSZMGUIHZOLK-BLLLJJGKSA-N 0 0 316.405 4.634 20 5 DJBDRN 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323.805 4.503 20 5 DJBDRN Cc1cccc(C(C)(C)NCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000494795881 339960503 /nfs/dbraw/zinc/96/05/03/339960503.db2.gz SFOXFEJGFIPKQH-UHFFFAOYSA-N 0 0 318.804 4.582 20 5 DJBDRN COc1cccc(SCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000501146502 340074740 /nfs/dbraw/zinc/07/47/40/340074740.db2.gz XZPLSHNSQJXQMS-UHFFFAOYSA-N 0 0 309.774 4.549 20 5 DJBDRN Cc1ccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000502191228 340096633 /nfs/dbraw/zinc/09/66/33/340096633.db2.gz FWSINPIBLDXZBX-ZHZULCJRSA-N 0 0 316.360 4.887 20 5 DJBDRN CCC1(CC)CN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000504196656 340142836 /nfs/dbraw/zinc/14/28/36/340142836.db2.gz WHORXCCAKDMAAP-UHFFFAOYSA-N 0 0 318.420 4.650 20 5 DJBDRN CC[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000505614439 340173092 /nfs/dbraw/zinc/17/30/92/340173092.db2.gz UKRCXBSOJGJGKL-HNNXBMFYSA-N 0 0 322.767 4.628 20 5 DJBDRN CC[C@@H](C)N(Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505786427 340177926 /nfs/dbraw/zinc/17/79/26/340177926.db2.gz ZZYNPLTVLCQFQV-CQSZACIVSA-N 0 0 316.376 4.535 20 5 DJBDRN Cc1ccc([C@H](C)N(C)Cc2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000505913401 340181457 /nfs/dbraw/zinc/18/14/57/340181457.db2.gz SUTMLXFBEOXOEK-AWEZNQCLSA-N 0 0 316.376 4.544 20 5 DJBDRN CC(C)c1ccc(CN(C)[C@@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000507207143 340213512 /nfs/dbraw/zinc/21/35/12/340213512.db2.gz BKKAEJCXPXQEBK-ZDUSSCGKSA-N 0 0 302.374 4.504 20 5 DJBDRN COc1ccc([N+](=O)[O-])cc1CSCCCCC(F)(F)F ZINC000507632582 340226877 /nfs/dbraw/zinc/22/68/77/340226877.db2.gz HGOSQKOTPGYLGG-UHFFFAOYSA-N 0 0 323.336 4.569 20 5 DJBDRN C[C@@H](Sc1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000509090456 340260979 /nfs/dbraw/zinc/26/09/79/340260979.db2.gz SGGWDQXLOXJBNX-SNVBAGLBSA-N 0 0 300.339 4.589 20 5 DJBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511590589 340331700 /nfs/dbraw/zinc/33/17/00/340331700.db2.gz CTZXSKVIWZUDAR-BLLLJJGKSA-N 0 0 316.788 4.756 20 5 DJBDRN CC(=O)c1ccc(NCc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000511670350 340334760 /nfs/dbraw/zinc/33/47/60/340334760.db2.gz ICLRXKVPIHLFDW-UHFFFAOYSA-N 0 0 312.369 4.533 20 5 DJBDRN Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000511698229 340335472 /nfs/dbraw/zinc/33/54/72/340335472.db2.gz NMSNTZLQXKDSOX-QGZVFWFLSA-N 0 0 319.364 4.551 20 5 DJBDRN Cc1ccc2c(c1)CC[C@H]2Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000511710967 340335902 /nfs/dbraw/zinc/33/59/02/340335902.db2.gz BOOUXBZRGYKPOM-QGZVFWFLSA-N 0 0 319.364 4.551 20 5 DJBDRN Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000511714465 340336035 /nfs/dbraw/zinc/33/60/35/340336035.db2.gz VJHFBQKJGJNAHH-INIZCTEOSA-N 0 0 319.364 4.551 20 5 DJBDRN Cc1c(CNc2ccc(CC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000172918621 340348276 /nfs/dbraw/zinc/34/82/76/340348276.db2.gz QCTLRAGRTODHEY-UHFFFAOYSA-N 0 0 324.302 4.620 20 5 DJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 ZINC000183454507 340487979 /nfs/dbraw/zinc/48/79/79/340487979.db2.gz PVZQCZUDMBPLHE-JTQLQIEISA-N 0 0 300.339 4.589 20 5 DJBDRN C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cnccn1 ZINC000187648575 340521637 /nfs/dbraw/zinc/52/16/37/340521637.db2.gz UUUWOZUTYHUELA-ZRDIBKRKSA-N 0 0 323.377 4.674 20 5 DJBDRN COc1ccc(CS[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000521557528 340525027 /nfs/dbraw/zinc/52/50/27/340525027.db2.gz ULPVZZHVLZCKKL-LBPRGKRZSA-N 0 0 303.383 4.598 20 5 DJBDRN Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000193678933 340581500 /nfs/dbraw/zinc/58/15/00/340581500.db2.gz XGJFIMNERBRBKR-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN CC(C)[C@H](C)N(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000524421520 340654113 /nfs/dbraw/zinc/65/41/13/340654113.db2.gz YVBBXMSSYREWLM-AWEZNQCLSA-N 0 0 306.409 4.505 20 5 DJBDRN CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000540339601 340927634 /nfs/dbraw/zinc/92/76/34/340927634.db2.gz PISBYKZQECHDER-MEDUHNTESA-N 0 0 320.339 4.675 20 5 DJBDRN CSc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540709340 340942623 /nfs/dbraw/zinc/94/26/23/340942623.db2.gz LOLRHZSICZSZGR-LBPRGKRZSA-N 0 0 302.399 4.798 20 5 DJBDRN c1ccc2c(c1)nc(CS[C@@H]1CCCOC1)c1ccccc21 ZINC000542788197 341020699 /nfs/dbraw/zinc/02/06/99/341020699.db2.gz XBWOENADNWJABI-CQSZACIVSA-N 0 0 309.434 4.800 20 5 DJBDRN C[C@@H](CSCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000543860994 341061947 /nfs/dbraw/zinc/06/19/47/341061947.db2.gz ZXHXEEFATGMBFI-ZETCQYMHSA-N 0 0 313.728 4.680 20 5 DJBDRN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc3sccc3c2)no1 ZINC000545696407 341136796 /nfs/dbraw/zinc/13/67/96/341136796.db2.gz PWDCDVJMCGQGGW-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4sccc4c3)no2)cc1 ZINC000546404366 341167021 /nfs/dbraw/zinc/16/70/21/341167021.db2.gz XUJSWUGXFIRUMB-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN C/C(=C\c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000546985104 341189880 /nfs/dbraw/zinc/18/98/80/341189880.db2.gz HYYZQZGGFUVKDC-JLHYYAGUSA-N 0 0 321.336 4.514 20 5 DJBDRN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000078970818 341250824 /nfs/dbraw/zinc/25/08/24/341250824.db2.gz VHPPAMYMPXZVLE-RYUDHWBXSA-N 0 0 320.339 4.593 20 5 DJBDRN CO[C@H](CS[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549567769 341298015 /nfs/dbraw/zinc/29/80/15/341298015.db2.gz RYSCSDMFZKBAHM-SUMWQHHRSA-N 0 0 317.410 4.777 20 5 DJBDRN O=[N+]([O-])c1cccc(CSc2ccccc2Br)c1 ZINC000247362193 341363910 /nfs/dbraw/zinc/36/39/10/341363910.db2.gz ZVLTUPWZMCPYBF-UHFFFAOYSA-N 0 0 324.199 4.650 20 5 DJBDRN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000248216776 341374800 /nfs/dbraw/zinc/37/48/00/341374800.db2.gz GPSZFUYEHDGGKZ-LJQANCHMSA-N 0 0 321.380 4.952 20 5 DJBDRN O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCCC(F)(F)F ZINC000517912583 518203034 /nfs/dbraw/zinc/20/30/34/518203034.db2.gz XINZMEJHOTYAOX-UHFFFAOYSA-N 0 0 311.259 4.593 20 5 DJBDRN C[C@@H](N[C@H](c1ccco1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000152768326 525671616 /nfs/dbraw/zinc/67/16/16/525671616.db2.gz LWRXGNBLQUAPOE-KUHUBIRLSA-N 0 0 322.364 4.628 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2cc(F)cc3cccnc32)c1 ZINC000337763898 527394440 /nfs/dbraw/zinc/39/44/40/527394440.db2.gz RBBHJULMSHOSSL-UHFFFAOYSA-N 0 0 314.341 4.574 20 5 DJBDRN COc1ccc(Cl)cc1CSc1ccc([N+](=O)[O-])cc1 ZINC000009479544 563956102 /nfs/dbraw/zinc/95/61/02/563956102.db2.gz CKBGLIADZMYWNX-UHFFFAOYSA-N 0 0 309.774 4.549 20 5 DJBDRN O=[N+]([O-])c1cc(Br)ccc1SC1CCCCC1 ZINC000070136406 190862383 /nfs/dbraw/zinc/86/23/83/190862383.db2.gz NPURKHKDEXEZEY-UHFFFAOYSA-N 0 0 316.220 4.782 20 5 DJBDRN C[C@@H](Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000020090332 182186251 /nfs/dbraw/zinc/18/62/51/182186251.db2.gz XILHSMJWMQXJFR-SNVBAGLBSA-N 0 0 321.174 4.530 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000023745281 182367645 /nfs/dbraw/zinc/36/76/45/182367645.db2.gz GCAFJLHTWFPGLU-SNVBAGLBSA-N 0 0 321.174 4.530 20 5 DJBDRN O=c1[nH]c([C@H]2CCCC(F)(F)C2)nc2cc3ccccc3cc12 ZINC000286945921 131257101 /nfs/dbraw/zinc/25/71/01/131257101.db2.gz AHVQGVPQZGAPAU-ZDUSSCGKSA-N 0 0 314.335 4.782 20 5 DJBDRN COc1cc(N[C@H](C)c2cc(C)sc2C)c(F)cc1[N+](=O)[O-] ZINC000301973823 132152332 /nfs/dbraw/zinc/15/23/32/132152332.db2.gz VDGGSVQHUKYSCW-SECBINFHSA-N 0 0 324.377 4.594 20 5 DJBDRN CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C(C)C)c1 ZINC000027139141 331590840 /nfs/dbraw/zinc/59/08/40/331590840.db2.gz HRDSSHOMZCMZJN-UHFFFAOYSA-N 0 0 316.357 4.687 20 5 DJBDRN COc1ccc(CS[C@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000517939689 331979246 /nfs/dbraw/zinc/97/92/46/331979246.db2.gz KIDPBNHXCHQASQ-LLVKDONJSA-N 0 0 321.373 4.737 20 5 DJBDRN Cc1cc(C)cc(-c2nc3cc4ccccc4cc3c(=O)[nH]2)c1 ZINC000520850469 331991309 /nfs/dbraw/zinc/99/13/09/331991309.db2.gz PSXYLRXLGOAEIH-UHFFFAOYSA-N 0 0 300.361 4.772 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2noc(-c3cccc4ccsc43)n2)c1 ZINC000569388398 332073486 /nfs/dbraw/zinc/07/34/86/332073486.db2.gz TXLHKSBYITYLGN-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN C[C@@H](Sc1ncccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000520086002 332120451 /nfs/dbraw/zinc/12/04/51/332120451.db2.gz OYDDNJUTWUBGFT-GFCCVEGCSA-N 0 0 310.378 4.996 20 5 DJBDRN CCOc1cc(N[C@@H](CC)c2cccs2)ccc1[N+](=O)[O-] ZINC000111048586 333053895 /nfs/dbraw/zinc/05/38/95/333053895.db2.gz BFMGAMXROORBEA-LBPRGKRZSA-N 0 0 306.387 4.618 20 5 DJBDRN CCC[C@H](Nc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000314010595 333082295 /nfs/dbraw/zinc/08/22/95/333082295.db2.gz GGLUNVYLAOQJNU-KRWDZBQOSA-N 0 0 300.358 4.557 20 5 DJBDRN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000314286823 333099394 /nfs/dbraw/zinc/09/93/94/333099394.db2.gz CAFJSYTXQZBFHZ-SNVBAGLBSA-N 0 0 310.275 4.787 20 5 DJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCC1CCCCC1 ZINC000514473824 333135538 /nfs/dbraw/zinc/13/55/38/333135538.db2.gz GOYQLRKOQIEUMP-UHFFFAOYSA-N 0 0 304.390 4.511 20 5 DJBDRN CC(=O)c1ccc(N[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC000514485139 333138310 /nfs/dbraw/zinc/13/83/10/333138310.db2.gz KCPJQQZJVCNAIP-SFHVURJKSA-N 0 0 312.369 4.607 20 5 DJBDRN CCCOc1ccccc1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000387719259 333165686 /nfs/dbraw/zinc/16/56/86/333165686.db2.gz MONBEYZCRLGZLB-ZDUSSCGKSA-N 0 0 300.358 4.557 20 5 DJBDRN O=[N+]([O-])c1ccc(/C=C\c2cnc(C3CCCCC3)s2)nc1 ZINC000531249132 333338036 /nfs/dbraw/zinc/33/80/36/333338036.db2.gz POFVITKYSQPONL-CLFYSBASSA-N 0 0 315.398 4.664 20 5 DJBDRN C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000531443637 333353839 /nfs/dbraw/zinc/35/38/39/333353839.db2.gz GGPZYFKMKOPHNV-QWRGUYRKSA-N 0 0 322.767 4.799 20 5 DJBDRN Cc1ccc([C@H](C)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000320165990 333433961 /nfs/dbraw/zinc/43/39/61/333433961.db2.gz YHMLFSCUMFTVQN-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN C[C@@H](Sc1c(F)cc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000571135366 333667821 /nfs/dbraw/zinc/66/78/21/333667821.db2.gz UGNIFJLEMRHLIF-MRVPVSSYSA-N 0 0 313.300 4.865 20 5 DJBDRN Cc1c(CSCc2csc(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000534683808 334324583 /nfs/dbraw/zinc/32/45/83/334324583.db2.gz JHACYPXLCHYCAJ-UHFFFAOYSA-N 0 0 320.439 4.671 20 5 DJBDRN CC[C@H](C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534794282 334337091 /nfs/dbraw/zinc/33/70/91/334337091.db2.gz QTEKZOGFKMXJKU-NSHDSACASA-N 0 0 306.387 4.529 20 5 DJBDRN O=[N+]([O-])c1cnc(N[C@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000443524478 338453549 /nfs/dbraw/zinc/45/35/49/338453549.db2.gz URJWIJQBLUZANE-ZDUSSCGKSA-N 0 0 323.805 4.658 20 5 DJBDRN C[C@H](SCCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000520676491 336010885 /nfs/dbraw/zinc/01/08/85/336010885.db2.gz OTILGSPGOWADHI-LBPRGKRZSA-N 0 0 321.373 4.607 20 5 DJBDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000532498730 336250289 /nfs/dbraw/zinc/25/02/89/336250289.db2.gz CKSLPMPHVAXKSS-INIZCTEOSA-N 0 0 312.413 4.679 20 5 DJBDRN Cc1c2ccccc2oc1[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000301294501 336299362 /nfs/dbraw/zinc/29/93/62/336299362.db2.gz OSMAJIVVDGSCJH-LBPRGKRZSA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1c2ccccc2oc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000301454113 336307716 /nfs/dbraw/zinc/30/77/16/336307716.db2.gz VQSOYAXKSRWZIB-GFCCVEGCSA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2cccnc2)cc1 ZINC000301465140 336308507 /nfs/dbraw/zinc/30/85/07/336308507.db2.gz HEKDACDYVUJOIL-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN O=[N+]([O-])c1ccsc1SCc1cccc(OC(F)F)c1 ZINC000302042233 336345030 /nfs/dbraw/zinc/34/50/30/336345030.db2.gz WWNKNTPPDPLDNN-UHFFFAOYSA-N 0 0 317.338 4.550 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)c(Oc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000302265029 336356377 /nfs/dbraw/zinc/35/63/77/336356377.db2.gz FFSNEPDUQITBQF-UHFFFAOYSA-N 0 0 324.123 4.570 20 5 DJBDRN Cc1cc(C)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 ZINC000514560688 336376231 /nfs/dbraw/zinc/37/62/31/336376231.db2.gz QRJVZFXIZJVZPS-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2ccccc2c1 ZINC000514642713 336389715 /nfs/dbraw/zinc/38/97/15/336389715.db2.gz OQJUWSGXOQSMIO-UHFFFAOYSA-N 0 0 320.348 4.617 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000314797510 336393448 /nfs/dbraw/zinc/39/34/48/336393448.db2.gz DEUXVMIHKJPKQF-JTQLQIEISA-N 0 0 300.289 4.653 20 5 DJBDRN COc1cc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000389479568 336395526 /nfs/dbraw/zinc/39/55/26/336395526.db2.gz XABWSFHNZXBQOZ-NSHDSACASA-N 0 0 320.776 4.738 20 5 DJBDRN CO[C@@H](CS[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000583765645 337331792 /nfs/dbraw/zinc/33/17/92/337331792.db2.gz AVWUNZOGBXLBDD-GUYCJALGSA-N 0 0 317.410 4.777 20 5 DJBDRN CC(C)(C)C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000572319880 337607026 /nfs/dbraw/zinc/60/70/26/337607026.db2.gz IZUNGDOLYUROIZ-OAHLLOKOSA-N 0 0 317.364 4.718 20 5 DJBDRN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000122079449 337906061 /nfs/dbraw/zinc/90/60/61/337906061.db2.gz UTLLVNHIFWUXEC-STQMWFEESA-N 0 0 310.353 4.753 20 5 DJBDRN CSc1ccc(C)c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000537319487 337930821 /nfs/dbraw/zinc/93/08/21/337930821.db2.gz UNJICPVTRKOPOK-UHFFFAOYSA-N 0 0 302.399 4.546 20 5 DJBDRN CSc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000537478002 337938884 /nfs/dbraw/zinc/93/88/84/337938884.db2.gz RBODDRZWZNYBFO-LBPRGKRZSA-N 0 0 302.399 4.798 20 5 DJBDRN CCOc1cc(N[C@@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000315468272 337987654 /nfs/dbraw/zinc/98/76/54/337987654.db2.gz CDNDRXLIWBHTFC-NSHDSACASA-N 0 0 320.776 4.820 20 5 DJBDRN CCCOc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000315523153 337988659 /nfs/dbraw/zinc/98/86/59/337988659.db2.gz IGKAHRPCVSDDEZ-ZDUSSCGKSA-N 0 0 300.358 4.557 20 5 DJBDRN Cc1cccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000515600637 337993855 /nfs/dbraw/zinc/99/38/55/337993855.db2.gz AXTPFCOQTNCKSU-UHFFFAOYSA-N 0 0 310.378 4.618 20 5 DJBDRN C/C=C\c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000516505886 338014101 /nfs/dbraw/zinc/01/41/01/338014101.db2.gz MJGZOFBYQKDVEH-IHWYPQMZSA-N 0 0 316.744 4.534 20 5 DJBDRN O=[N+]([O-])c1cc(CNc2cccc(-c3ccccc3)c2)cs1 ZINC000431091786 338122319 /nfs/dbraw/zinc/12/23/19/338122319.db2.gz VKYGLKZAPROUOM-UHFFFAOYSA-N 0 0 310.378 4.935 20 5 DJBDRN COc1ccccc1[C@H](C)Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434954837 338228113 /nfs/dbraw/zinc/22/81/13/338228113.db2.gz KTWNJXDDGIJJJE-VIFPVBQESA-N 0 0 324.789 4.505 20 5 DJBDRN O=[N+]([O-])c1cccc(NCc2nc(C3CCCCC3)cs2)c1 ZINC000435883626 338251666 /nfs/dbraw/zinc/25/16/66/338251666.db2.gz LSSCJAUVNAUHLL-UHFFFAOYSA-N 0 0 317.414 4.711 20 5 DJBDRN C[C@H](SCCOc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000437264719 338305255 /nfs/dbraw/zinc/30/52/55/338305255.db2.gz FYWSGUVWJYMMIN-LBPRGKRZSA-N 0 0 321.373 4.607 20 5 DJBDRN CC(C)[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000446344383 338526140 /nfs/dbraw/zinc/52/61/40/338526140.db2.gz XIBBAKBVTCWOJB-INIZCTEOSA-N 0 0 318.420 4.506 20 5 DJBDRN COCc1cccc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000446960651 338541924 /nfs/dbraw/zinc/54/19/24/338541924.db2.gz ZZILEIOSCYDIAB-ZDUSSCGKSA-N 0 0 317.410 4.736 20 5 DJBDRN Cc1cccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c1C ZINC000462198364 339073846 /nfs/dbraw/zinc/07/38/46/339073846.db2.gz HLMBMEAQYPJEAS-UHFFFAOYSA-N 0 0 314.385 4.611 20 5 DJBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cccc(Cl)c1 ZINC000462218301 339074327 /nfs/dbraw/zinc/07/43/27/339074327.db2.gz MGHFMVYTCDLVMW-UHFFFAOYSA-N 0 0 320.776 4.648 20 5 DJBDRN CCSc1ccc(Cl)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000462237035 339074852 /nfs/dbraw/zinc/07/48/52/339074852.db2.gz XPIDYWDEVOTYHO-UHFFFAOYSA-N 0 0 322.817 4.972 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c2ccncc21 ZINC000462904420 339097158 /nfs/dbraw/zinc/09/71/58/339097158.db2.gz UQOOPYLPDBIUIQ-MELADBBJSA-N 0 0 311.385 4.524 20 5 DJBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 ZINC000462922129 339098139 /nfs/dbraw/zinc/09/81/39/339098139.db2.gz AOWHSGFJPUQYPG-CQSZACIVSA-N 0 0 305.765 4.515 20 5 DJBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000462927782 339098228 /nfs/dbraw/zinc/09/82/28/339098228.db2.gz HNRFGSBUUGLXLI-CQSZACIVSA-N 0 0 320.776 4.820 20 5 DJBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000462927780 339098267 /nfs/dbraw/zinc/09/82/67/339098267.db2.gz HNRFGSBUUGLXLI-AWEZNQCLSA-N 0 0 320.776 4.820 20 5 DJBDRN C[C@H](Sc1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC000463027827 339101353 /nfs/dbraw/zinc/10/13/53/339101353.db2.gz IYEAYYUKYMXFLW-LBPRGKRZSA-N 0 0 310.378 4.996 20 5 DJBDRN CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000463052457 339103220 /nfs/dbraw/zinc/10/32/20/339103220.db2.gz IDPNAHYQDIUONU-CYBMUJFWSA-N 0 0 305.765 4.515 20 5 DJBDRN C[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000463745759 339125394 /nfs/dbraw/zinc/12/53/94/339125394.db2.gz LUVHYMMOIYSHCA-VIFPVBQESA-N 0 0 320.311 4.525 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1sccc1C(C)C ZINC000464714062 339149589 /nfs/dbraw/zinc/14/95/89/339149589.db2.gz RCIPBDPEXNXSNC-UHFFFAOYSA-N 0 0 318.398 4.594 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CC/C=C\c1ccccc1 ZINC000464722139 339149963 /nfs/dbraw/zinc/14/99/63/339149963.db2.gz BDPKOBGJWKLAOW-POHAHGRESA-N 0 0 324.380 4.589 20 5 DJBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2csc([N+](=O)[O-])c2)o1 ZINC000464835714 339156316 /nfs/dbraw/zinc/15/63/16/339156316.db2.gz RLTNFQWAWRNTGJ-SMDDNHRTSA-N 0 0 320.414 4.531 20 5 DJBDRN O=[N+]([O-])c1cc2ccccc2nc1Oc1ccc(Cl)cc1F ZINC000473516245 339386617 /nfs/dbraw/zinc/38/66/17/339386617.db2.gz AQNTXGCCZVRNFI-UHFFFAOYSA-N 0 0 318.691 4.728 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000473917655 339394873 /nfs/dbraw/zinc/39/48/73/339394873.db2.gz HHVPTELIMZGUBI-JTQLQIEISA-N 0 0 300.289 4.653 20 5 DJBDRN Cc1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000477326263 339492470 /nfs/dbraw/zinc/49/24/70/339492470.db2.gz VYYLTCRGYWBLJC-UHFFFAOYSA-N 0 0 308.337 4.775 20 5 DJBDRN CC[C@@H](C)n1ncc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)c1C ZINC000477923077 339504751 /nfs/dbraw/zinc/50/47/51/339504751.db2.gz NHZSZMGUIHZOLK-MLGOLLRUSA-N 0 0 316.405 4.634 20 5 DJBDRN CCC(=O)c1ccc(N[C@@H](CC)c2cccs2)c([N+](=O)[O-])c1 ZINC000480069390 339557585 /nfs/dbraw/zinc/55/75/85/339557585.db2.gz FVXDODCYSDLXCA-LBPRGKRZSA-N 0 0 318.398 4.812 20 5 DJBDRN Cc1ccc(Cl)c(Oc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000480436740 339572961 /nfs/dbraw/zinc/57/29/61/339572961.db2.gz WNKWTTDFCHQBMJ-UHFFFAOYSA-N 0 0 314.728 4.897 20 5 DJBDRN CC1=C(C)CN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000482891117 339646202 /nfs/dbraw/zinc/64/62/02/339646202.db2.gz CYMCQLAVDBXJGZ-UHFFFAOYSA-N 0 0 316.404 4.570 20 5 DJBDRN CC[C@H](Nc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000488493046 339785405 /nfs/dbraw/zinc/78/54/05/339785405.db2.gz GBBGKTYWXUMFHP-AWEZNQCLSA-N 0 0 313.382 4.768 20 5 DJBDRN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](c1cccs1)C1CC1 ZINC000494801763 339960658 /nfs/dbraw/zinc/96/06/58/339960658.db2.gz VQWXZYRBGLKZDS-OAHLLOKOSA-N 0 0 322.817 4.551 20 5 DJBDRN Cc1ccc([C@@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])cc1C ZINC000494814198 339961100 /nfs/dbraw/zinc/96/11/00/339961100.db2.gz ZIBNZVNMJVLACD-CYBMUJFWSA-N 0 0 318.804 4.716 20 5 DJBDRN CC(C)Oc1cc(F)ccc1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000495415585 339983636 /nfs/dbraw/zinc/98/36/36/339983636.db2.gz ROGBODCYQKIKRF-GFCCVEGCSA-N 0 0 318.348 4.694 20 5 DJBDRN CC(=O)c1ccc(N[C@@H](C)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000501278460 340077970 /nfs/dbraw/zinc/07/79/70/340077970.db2.gz BOAMAEIWJXUHGH-ZDUSSCGKSA-N 0 0 312.369 4.587 20 5 DJBDRN C[C@H](Sc1ccc(N)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000502128805 340095745 /nfs/dbraw/zinc/09/57/45/340095745.db2.gz QUZBAMWBFJDQNB-VIFPVBQESA-N 0 0 308.790 4.684 20 5 DJBDRN C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CCCC1 ZINC000505134845 340162408 /nfs/dbraw/zinc/16/24/08/340162408.db2.gz KMYKQNAAJCXAKE-AWEZNQCLSA-N 0 0 318.420 4.697 20 5 DJBDRN CN(Cc1cccc2ccccc21)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505785313 340177929 /nfs/dbraw/zinc/17/79/29/340177929.db2.gz TWXPLMIBHUUHAA-UHFFFAOYSA-N 0 0 324.355 4.519 20 5 DJBDRN Cc1ccc(CN(Cc2c(F)cccc2[N+](=O)[O-])C(C)C)s1 ZINC000505797587 340178323 /nfs/dbraw/zinc/17/83/23/340178323.db2.gz WCXHDNLMLIFZJV-UHFFFAOYSA-N 0 0 322.405 4.514 20 5 DJBDRN O=C(Nc1cccc(-c2cccs2)c1)c1cccc([N+](=O)[O-])c1 ZINC000505849428 340179581 /nfs/dbraw/zinc/17/95/81/340179581.db2.gz IWWUTALKPRUGHD-UHFFFAOYSA-N 0 0 324.361 4.576 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000506112045 340185977 /nfs/dbraw/zinc/18/59/77/340185977.db2.gz GJLYNYHLMXJHEP-LERPRCHQSA-N 0 0 314.410 4.507 20 5 DJBDRN O=[N+]([O-])c1cc(F)c(CNc2csc3ccccc23)c(F)c1 ZINC000506260037 340190370 /nfs/dbraw/zinc/19/03/70/340190370.db2.gz ULXVLPQONYIXSB-UHFFFAOYSA-N 0 0 320.320 4.700 20 5 DJBDRN CCC[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000509036470 340258986 /nfs/dbraw/zinc/25/89/86/340258986.db2.gz YKBXSGBSRAMVNY-QGZVFWFLSA-N 0 0 320.339 4.504 20 5 DJBDRN C[C@H]1CCCCCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000510427948 340299130 /nfs/dbraw/zinc/29/91/30/340299130.db2.gz SKZDLZURQULDHY-HNNXBMFYSA-N 0 0 318.420 4.793 20 5 DJBDRN CC(=O)c1ccc(N[C@@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000511455659 340327624 /nfs/dbraw/zinc/32/76/24/340327624.db2.gz SXNCJVSUMBDFJW-IBGZPJMESA-N 0 0 324.380 4.751 20 5 DJBDRN Cc1ccc2oc(SCc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000303558970 340333622 /nfs/dbraw/zinc/33/36/22/340333622.db2.gz HZPRDFHICCUEPY-UHFFFAOYSA-N 0 0 314.366 4.645 20 5 DJBDRN C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1cnccn1 ZINC000126559944 340828583 /nfs/dbraw/zinc/82/85/83/340828583.db2.gz CBYDAAVXEMEZFU-XFXZXTDPSA-N 0 0 323.377 4.674 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc2ccncc21 ZINC000538628228 340835828 /nfs/dbraw/zinc/83/58/28/340835828.db2.gz PISOTHNHWGBAJN-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN CC(C)c1nsc(Oc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC000538937657 340862973 /nfs/dbraw/zinc/86/29/73/340862973.db2.gz OFRCZVPXGBNVDP-UHFFFAOYSA-N 0 0 315.354 4.515 20 5 DJBDRN CSc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000542853266 341023533 /nfs/dbraw/zinc/02/35/33/341023533.db2.gz GZZYNAVLEMCGSA-VIFPVBQESA-N 0 0 323.805 4.538 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2noc(-c3ccc4sccc4c3)n2)c1 ZINC000546937555 341187801 /nfs/dbraw/zinc/18/78/01/341187801.db2.gz OTMVQYYSNVKWSP-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN CCC[C@H](N[C@H](C)c1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000134232007 341210188 /nfs/dbraw/zinc/21/01/88/341210188.db2.gz FISUBUIUIGRPMS-DOMZBBRYSA-N 0 0 319.430 4.552 20 5 DJBDRN C[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000078991460 341251462 /nfs/dbraw/zinc/25/14/62/341251462.db2.gz ZQGPXKHZWJZZPK-AUUYWEPGSA-N 0 0 322.364 4.628 20 5 DJBDRN C[C@H]1OCC[C@@H]1SCc1nc2ccccc2c2ccccc12 ZINC000549929804 341307261 /nfs/dbraw/zinc/30/72/61/341307261.db2.gz SCOYNHZCXUONCX-YJYMSZOUSA-N 0 0 309.434 4.799 20 5 DJBDRN Cc1c2ccccc2oc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000086625334 341384534 /nfs/dbraw/zinc/38/45/34/341384534.db2.gz TWCAQXUXJKLAJJ-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN O=[N+]([O-])c1cccc(F)c1Oc1cncc(-c2ccccc2)c1 ZINC000566534466 341561142 /nfs/dbraw/zinc/56/11/42/341561142.db2.gz 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Cc1cccc(COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000559453569 332260353 /nfs/dbraw/zinc/26/03/53/332260353.db2.gz HPSYCWLVUYJMNL-UHFFFAOYSA-N 0 0 320.348 4.544 20 5 DJBDRN O=[N+]([O-])c1cccc2c(NCc3cc4ccccc4o3)ccnc21 ZINC000516947517 332356545 /nfs/dbraw/zinc/35/65/45/332356545.db2.gz PBZFHRIHMLADAX-UHFFFAOYSA-N 0 0 319.320 4.501 20 5 DJBDRN Cc1c([C@@H](C)Nc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000562034725 332534733 /nfs/dbraw/zinc/53/47/33/332534733.db2.gz SFNSQEXZBQOHSN-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN Cc1c(CN[C@H](C)c2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC000181752660 333031914 /nfs/dbraw/zinc/03/19/14/333031914.db2.gz UFVCRWYVILPOBW-LLVKDONJSA-N 0 0 322.767 4.547 20 5 DJBDRN CCC[C@H](Nc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000314279835 333098100 /nfs/dbraw/zinc/09/81/00/333098100.db2.gz BGDUDWCIBKOOHY-HNNXBMFYSA-N 0 0 300.358 4.557 20 5 DJBDRN CCCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000582135333 333173118 /nfs/dbraw/zinc/17/31/18/333173118.db2.gz RKQOBGINYIOKAM-UHFFFAOYSA-N 0 0 319.405 4.562 20 5 DJBDRN CC[C@H](Nc1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000319069266 333252861 /nfs/dbraw/zinc/25/28/61/333252861.db2.gz PIFRTFWBILHNSS-HNNXBMFYSA-N 0 0 320.776 4.820 20 5 DJBDRN O=[N+]([O-])c1ccc(SC(c2ccccc2)c2ccccc2)nc1 ZINC000497744473 333285652 /nfs/dbraw/zinc/28/56/52/333285652.db2.gz RAIXQDGXQNXPTO-UHFFFAOYSA-N 0 0 322.389 4.872 20 5 DJBDRN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000020526156 333319981 /nfs/dbraw/zinc/31/99/81/333319981.db2.gz WYMAVFOHSVNVMD-NEPJUHHUSA-N 0 0 304.777 4.660 20 5 DJBDRN O=[N+]([O-])c1ccccc1CNc1ccc(-c2ccccc2)cc1 ZINC000319624583 333325051 /nfs/dbraw/zinc/32/50/51/333325051.db2.gz OQLZDPHWGLHPDH-UHFFFAOYSA-N 0 0 304.349 4.874 20 5 DJBDRN Cc1c(NC(=O)c2ccc(C3=CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000583471456 333361029 /nfs/dbraw/zinc/36/10/29/333361029.db2.gz KYDNWIZSVAWVEY-UHFFFAOYSA-N 0 0 322.364 4.723 20 5 DJBDRN CC[C@H](C)Oc1cccc(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000391940897 335136347 /nfs/dbraw/zinc/13/63/47/335136347.db2.gz OFGZYRVTRICQFP-LBPRGKRZSA-N 0 0 318.348 4.523 20 5 DJBDRN Cc1cc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])c(C)o1 ZINC000320812999 335144710 /nfs/dbraw/zinc/14/47/10/335144710.db2.gz LSADXCHREOYDPE-NSHDSACASA-N 0 0 311.341 4.526 20 5 DJBDRN CC(C)(C)c1csc(CSCc2ccccc2[N+](=O)[O-])n1 ZINC000531515851 333531695 /nfs/dbraw/zinc/53/16/95/333531695.db2.gz XTJXVESVJZEESU-UHFFFAOYSA-N 0 0 322.455 4.782 20 5 DJBDRN C[C@@H](N[C@@H](C)c1csc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000276551951 334081556 /nfs/dbraw/zinc/08/15/56/334081556.db2.gz QOJBAEFJWGEZIZ-VHSXEESVSA-N 0 0 310.806 4.722 20 5 DJBDRN CCCc1nccn1Cc1nc2ccccc2c2ccccc12 ZINC000534499367 334278137 /nfs/dbraw/zinc/27/81/37/334278137.db2.gz QWHIJDAXALGZPC-UHFFFAOYSA-N 0 0 301.393 4.585 20 5 DJBDRN CC[C@@H](C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534794281 334337070 /nfs/dbraw/zinc/33/70/70/334337070.db2.gz QTEKZOGFKMXJKU-LLVKDONJSA-N 0 0 306.387 4.529 20 5 DJBDRN CC(C)[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000443442552 338451809 /nfs/dbraw/zinc/45/18/09/338451809.db2.gz ZAISVBWAEZDBNS-LBPRGKRZSA-N 0 0 311.794 4.514 20 5 DJBDRN C[C@@H]1C[C@@H]1[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000443523515 338453621 /nfs/dbraw/zinc/45/36/21/338453621.db2.gz PITPPKWEPVJREV-WLTAIBSBSA-N 0 0 323.805 4.514 20 5 DJBDRN CCCCN(CCCC)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443951270 338464144 /nfs/dbraw/zinc/46/41/44/338464144.db2.gz STSFYAZCXFSHMH-UHFFFAOYSA-N 0 0 321.421 4.646 20 5 DJBDRN CC[C@@H](NCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000532463851 336249098 /nfs/dbraw/zinc/24/90/98/336249098.db2.gz QJBSRXGWKYIMHR-MRXNPFEDSA-N 0 0 322.767 4.628 20 5 DJBDRN Cc1cc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000532498734 336250311 /nfs/dbraw/zinc/25/03/11/336250311.db2.gz CKSLPMPHVAXKSS-MRXNPFEDSA-N 0 0 312.413 4.679 20 5 DJBDRN C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000192744176 336260209 /nfs/dbraw/zinc/26/02/09/336260209.db2.gz FZFVOKKXEIBHLH-NSHDSACASA-N 0 0 323.352 4.787 20 5 DJBDRN C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000192744124 336260248 /nfs/dbraw/zinc/26/02/48/336260248.db2.gz GQXHCNSXHMGXKD-LLVKDONJSA-N 0 0 323.352 4.787 20 5 DJBDRN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000301074045 336288576 /nfs/dbraw/zinc/28/85/76/336288576.db2.gz GDXAMTYAFQSRQC-SNVBAGLBSA-N 0 0 300.289 4.653 20 5 DJBDRN O=[N+]([O-])c1ccccc1Nc1cccc(COCc2ccco2)c1 ZINC000301099937 336290036 /nfs/dbraw/zinc/29/00/36/336290036.db2.gz PZCZGIUBRCVUBT-UHFFFAOYSA-N 0 0 324.336 4.648 20 5 DJBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000301198656 336294562 /nfs/dbraw/zinc/29/45/62/336294562.db2.gz OMZRJVZDNVSTEG-LLVKDONJSA-N 0 0 311.794 4.576 20 5 DJBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000301270265 336297898 /nfs/dbraw/zinc/29/78/98/336297898.db2.gz JNMFCZOBLQSWNL-VIFPVBQESA-N 0 0 317.732 4.563 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000301469204 336308839 /nfs/dbraw/zinc/30/88/39/336308839.db2.gz HTZVGGFTRAOYNE-CQSZACIVSA-N 0 0 319.364 4.830 20 5 DJBDRN Cc1csc([C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000301483332 336309701 /nfs/dbraw/zinc/30/97/01/336309701.db2.gz ZOMIQIGZFJHNIT-CYBMUJFWSA-N 0 0 323.805 4.576 20 5 DJBDRN CCSc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000301650408 336320698 /nfs/dbraw/zinc/32/06/98/336320698.db2.gz PQKBUEZYESVDDP-LLVKDONJSA-N 0 0 317.414 4.583 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCCCC3)C2)c(Cl)c1 ZINC000301677474 336322876 /nfs/dbraw/zinc/32/28/76/336322876.db2.gz CYTWWZPDTVIXHX-LBPRGKRZSA-N 0 0 324.808 4.542 20 5 DJBDRN Cc1csc([C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000301742876 336327065 /nfs/dbraw/zinc/32/70/65/336327065.db2.gz FQNSTRGFROZOSL-ZDUSSCGKSA-N 0 0 323.805 4.576 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc(Cl)cc1Cl ZINC000301744049 336327158 /nfs/dbraw/zinc/32/71/58/336327158.db2.gz MWYPWVOFUALGSO-UHFFFAOYSA-N 0 0 319.531 4.742 20 5 DJBDRN C[C@@H](Sc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301749758 336327530 /nfs/dbraw/zinc/32/75/30/336327530.db2.gz TYXXJBHURHQLTA-MRVPVSSYSA-N 0 0 312.753 4.636 20 5 DJBDRN O=[N+]([O-])c1cc(F)c(N[C@H]2CCSc3ccccc32)c(F)c1 ZINC000301813799 336331771 /nfs/dbraw/zinc/33/17/71/336331771.db2.gz ZEISVAOKDITAGO-ZDUSSCGKSA-N 0 0 322.336 4.522 20 5 DJBDRN CC(C)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000514561073 336376459 /nfs/dbraw/zinc/37/64/59/336376459.db2.gz XIXYLIHXCOZRFM-UHFFFAOYSA-N 0 0 324.336 4.717 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000034990174 336384940 /nfs/dbraw/zinc/38/49/40/336384940.db2.gz WEWSFXGASNNIBX-INIZCTEOSA-N 0 0 302.761 4.811 20 5 DJBDRN Cc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1ncco1 ZINC000180007700 337173143 /nfs/dbraw/zinc/17/31/43/337173143.db2.gz JRTIBJFLEBVSQS-CYBMUJFWSA-N 0 0 323.352 4.731 20 5 DJBDRN Cc1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1-c1ncco1 ZINC000180007666 337173165 /nfs/dbraw/zinc/17/31/65/337173165.db2.gz UKLYGWRNEBCIHI-CYBMUJFWSA-N 0 0 323.352 4.731 20 5 DJBDRN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000122080067 337906077 /nfs/dbraw/zinc/90/60/77/337906077.db2.gz UTLLVNHIFWUXEC-CHWSQXEVSA-N 0 0 310.353 4.753 20 5 DJBDRN CCOCc1ccc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537449115 337936741 /nfs/dbraw/zinc/93/67/41/337936741.db2.gz FTJALPMSIXMUBL-SFHVURJKSA-N 0 0 314.385 4.695 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c2ncccc12 ZINC000514977834 337976604 /nfs/dbraw/zinc/97/66/04/337976604.db2.gz XINPZOMYIAAUDN-UHFFFAOYSA-N 0 0 300.701 4.589 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1Oc1ccc2c[nH]nc2c1 ZINC000516327260 338010889 /nfs/dbraw/zinc/01/08/89/338010889.db2.gz WYGBWVLIZBRKKI-UHFFFAOYSA-N 0 0 324.123 4.570 20 5 DJBDRN C/C=C/c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000516505887 338014066 /nfs/dbraw/zinc/01/40/66/338014066.db2.gz MJGZOFBYQKDVEH-NSCUHMNNSA-N 0 0 316.744 4.534 20 5 DJBDRN CC(C)c1ccc(C(=O)N(C)C2CCCCCC2)cc1[N+](=O)[O-] ZINC000439131193 338361920 /nfs/dbraw/zinc/36/19/20/338361920.db2.gz HFRMRAZWBYSSBQ-UHFFFAOYSA-N 0 0 318.417 4.513 20 5 DJBDRN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000451108677 338721314 /nfs/dbraw/zinc/72/13/14/338721314.db2.gz SZERNBNIHYKDOD-QWRGUYRKSA-N 0 0 322.767 4.799 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c2ccncc21 ZINC000462904419 339097205 /nfs/dbraw/zinc/09/72/05/339097205.db2.gz UQOOPYLPDBIUIQ-HZSPNIEDSA-N 0 0 311.385 4.524 20 5 DJBDRN COc1cc(N[C@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000462923278 339098203 /nfs/dbraw/zinc/09/82/03/339098203.db2.gz AENONEKKYHKEJR-CYBMUJFWSA-N 0 0 322.364 4.930 20 5 DJBDRN C[C@@H](Sc1ccc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC000463027826 339101394 /nfs/dbraw/zinc/10/13/94/339101394.db2.gz IYEAYYUKYMXFLW-GFCCVEGCSA-N 0 0 310.378 4.996 20 5 DJBDRN Cc1cnc(N[C@@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000463047453 339103020 /nfs/dbraw/zinc/10/30/20/339103020.db2.gz FFFZBUOYCHVRDP-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN Cc1cnc(N[C@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000463052706 339103142 /nfs/dbraw/zinc/10/31/42/339103142.db2.gz FVWLCTKWFWSONW-HNNXBMFYSA-N 0 0 317.776 4.515 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CC/C=C/c1ccccc1 ZINC000464722140 339149881 /nfs/dbraw/zinc/14/98/81/339149881.db2.gz BDPKOBGJWKLAOW-UXBLZVDNSA-N 0 0 324.380 4.589 20 5 DJBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2ccoc2c1 ZINC000467897902 339248948 /nfs/dbraw/zinc/24/89/48/339248948.db2.gz HIUYKBACBLZODI-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN Cc1cc(N[C@@H](c2ccccc2)C2CCCC2)ncc1[N+](=O)[O-] ZINC000470874079 339329998 /nfs/dbraw/zinc/32/99/98/339329998.db2.gz SFVIZCZLKJXBJY-SFHVURJKSA-N 0 0 311.385 4.642 20 5 DJBDRN O=[N+]([O-])c1cc2ccccc2nc1Oc1cccc(Cl)c1 ZINC000473507809 339386501 /nfs/dbraw/zinc/38/65/01/339386501.db2.gz LWLAQJBXFLCWKB-UHFFFAOYSA-N 0 0 300.701 4.589 20 5 DJBDRN O=[N+]([O-])c1cc2ccccc2nc1Oc1ccc(Cl)cc1 ZINC000473505714 339386551 /nfs/dbraw/zinc/38/65/51/339386551.db2.gz GMYQEHMJRDZKEO-UHFFFAOYSA-N 0 0 300.701 4.589 20 5 DJBDRN CCC[C@@H](CC)S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477060281 339485690 /nfs/dbraw/zinc/48/56/90/339485690.db2.gz CQIZXWOQXUKBNA-QWHCGFSZSA-N 0 0 324.446 4.542 20 5 DJBDRN CCC[C@H](CC)S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477060286 339485738 /nfs/dbraw/zinc/48/57/38/339485738.db2.gz CQIZXWOQXUKBNA-STQMWFEESA-N 0 0 324.446 4.542 20 5 DJBDRN Cc1nc(CS[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000486050209 339719340 /nfs/dbraw/zinc/71/93/40/339719340.db2.gz GVQBEFMTBKXADE-JTQLQIEISA-N 0 0 308.428 4.663 20 5 DJBDRN CCc1noc(C)c1CS[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000486081222 339720473 /nfs/dbraw/zinc/72/04/73/339720473.db2.gz XUXYAUGQELUTDG-LBPRGKRZSA-N 0 0 320.414 4.756 20 5 DJBDRN CC[C@@H](Nc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000488493047 339785360 /nfs/dbraw/zinc/78/53/60/339785360.db2.gz GBBGKTYWXUMFHP-CQSZACIVSA-N 0 0 313.382 4.768 20 5 DJBDRN CC(C)Oc1cc(F)ccc1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000495415586 339983641 /nfs/dbraw/zinc/98/36/41/339983641.db2.gz ROGBODCYQKIKRF-LBPRGKRZSA-N 0 0 318.348 4.694 20 5 DJBDRN CC[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000498820527 340023912 /nfs/dbraw/zinc/02/39/12/340023912.db2.gz YXEDUJFMADHALZ-LBPRGKRZSA-N 0 0 322.311 4.759 20 5 DJBDRN Cc1ccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)s1 ZINC000502185852 340096695 /nfs/dbraw/zinc/09/66/95/340096695.db2.gz XFFQHXOVTSMVNN-PDGQHHTCSA-N 0 0 322.389 4.949 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCOc3ccccc32)c(Cl)c1 ZINC000504177847 340142548 /nfs/dbraw/zinc/14/25/48/340142548.db2.gz VRSFQYFBJREGTB-CQSZACIVSA-N 0 0 318.760 4.574 20 5 DJBDRN Cc1ccc([C@@H](C)N(C)Cc2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000505913402 340181483 /nfs/dbraw/zinc/18/14/83/340181483.db2.gz SUTMLXFBEOXOEK-CQSZACIVSA-N 0 0 316.376 4.544 20 5 DJBDRN CCOc1ccccc1[C@@H](CC)Nc1ccccc1[N+](=O)[O-] ZINC000507028188 340205805 /nfs/dbraw/zinc/20/58/05/340205805.db2.gz SWLLJMKJHIIVLU-CQSZACIVSA-N 0 0 300.358 4.557 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2csc(-c3ccoc3)n2)c1 ZINC000509090326 340260924 /nfs/dbraw/zinc/26/09/24/340260924.db2.gz PSXWKKPLTVQCCY-UHFFFAOYSA-N 0 0 318.379 4.604 20 5 DJBDRN Cc1c(NCc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000302892025 340285391 /nfs/dbraw/zinc/28/53/91/340285391.db2.gz ATVILKYJFTUJES-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN C[C@@H]1CCCCCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000510427955 340299118 /nfs/dbraw/zinc/29/91/18/340299118.db2.gz SKZDLZURQULDHY-OAHLLOKOSA-N 0 0 318.420 4.793 20 5 DJBDRN C[C@H](Sc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000512798758 340378189 /nfs/dbraw/zinc/37/81/89/340378189.db2.gz YOXFQHIAYXMHMY-LBPRGKRZSA-N 0 0 310.378 4.996 20 5 DJBDRN C[C@@H](N[C@H](C)c1cccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC000184648504 340494811 /nfs/dbraw/zinc/49/48/11/340494811.db2.gz VXJAACAMUXGGTP-GHMZBOCLSA-N 0 0 322.767 4.799 20 5 DJBDRN Cc1oc2ccccc2c1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000185016272 340497255 /nfs/dbraw/zinc/49/72/55/340497255.db2.gz FORPBIWTPWLSSU-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN CCCOc1cccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000315866715 340677236 /nfs/dbraw/zinc/67/72/36/340677236.db2.gz MYKABEOHTALVMD-ZDUSSCGKSA-N 0 0 300.358 4.557 20 5 DJBDRN C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cnccn1 ZINC000126568117 340828611 /nfs/dbraw/zinc/82/86/11/340828611.db2.gz BYFIKWXBZOPNTL-BENRWUELSA-N 0 0 323.377 4.674 20 5 DJBDRN Cc1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000538553787 340832922 /nfs/dbraw/zinc/83/29/22/340832922.db2.gz LDWBXYQHWKLEBQ-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN CSc1c(F)cc(NCc2cccc([N+](=O)[O-])c2C)cc1F ZINC000541294783 340965928 /nfs/dbraw/zinc/96/59/28/340965928.db2.gz SXJOUXBUYNIXPC-UHFFFAOYSA-N 0 0 324.352 4.515 20 5 DJBDRN CCC[C@@H](N[C@@H](C)c1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000134231987 341210256 /nfs/dbraw/zinc/21/02/56/341210256.db2.gz FISUBUIUIGRPMS-SWLSCSKDSA-N 0 0 319.430 4.552 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2ccccc2OC2CCCC2)cc1 ZINC000237985315 341224196 /nfs/dbraw/zinc/22/41/96/341224196.db2.gz PRBOXGIAIYGRML-UHFFFAOYSA-N 0 0 312.369 4.528 20 5 DJBDRN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000078970825 341250890 /nfs/dbraw/zinc/25/08/90/341250890.db2.gz VHPPAMYMPXZVLE-VXGBXAGGSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000078970832 341250930 /nfs/dbraw/zinc/25/09/30/341250930.db2.gz VHPPAMYMPXZVLE-NWDGAFQWSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1ccc([C@H](C)N[C@@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000079723067 341264575 /nfs/dbraw/zinc/26/45/75/341264575.db2.gz KGPAQHMSYXIRCE-RYUDHWBXSA-N 0 0 320.339 4.593 20 5 DJBDRN CO[C@@H](CS[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549567767 341298037 /nfs/dbraw/zinc/29/80/37/341298037.db2.gz RYSCSDMFZKBAHM-DYVFJYSZSA-N 0 0 317.410 4.777 20 5 DJBDRN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000090963238 341420794 /nfs/dbraw/zinc/42/07/94/341420794.db2.gz DJLBASLGHYRJFE-NEPJUHHUSA-N 0 0 320.339 4.593 20 5 DJBDRN CC(=O)c1cc(N[C@@H](C)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000553407921 341428178 /nfs/dbraw/zinc/42/81/78/341428178.db2.gz FIHQOUZWVDZUPP-ZDUSSCGKSA-N 0 0 312.369 4.587 20 5 DJBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(F)c2ccccc21 ZINC000574717796 341766860 /nfs/dbraw/zinc/76/68/60/341766860.db2.gz HFQRPIKIAQLOQQ-SECBINFHSA-N 0 0 317.345 4.517 20 5 DJBDRN C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178658429 341961172 /nfs/dbraw/zinc/96/11/72/341961172.db2.gz OHNTXQCNRIQRJD-NSHDSACASA-N 0 0 324.302 4.873 20 5 DJBDRN COc1ccc(CSc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000072076707 191033264 /nfs/dbraw/zinc/03/32/64/191033264.db2.gz PYDCDZQIDITWIP-UHFFFAOYSA-N 0 0 309.774 4.549 20 5 DJBDRN O=[N+]([O-])c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000005338628 181231429 /nfs/dbraw/zinc/23/14/29/181231429.db2.gz GJDRSYLDJPWOMT-UHFFFAOYSA-N 0 0 323.377 4.557 20 5 DJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C2CCCCC2)cc1 ZINC000005513471 181251789 /nfs/dbraw/zinc/25/17/89/181251789.db2.gz IDRSGOQBVFMZAQ-UHFFFAOYSA-N 0 0 324.380 4.895 20 5 DJBDRN Cc1ccc2cccc(N[C@H](C)c3cccc([N+](=O)[O-])c3)c2n1 ZINC000320437969 335016568 /nfs/dbraw/zinc/01/65/68/335016568.db2.gz BRSKMGCVWAMZSA-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN Cc1cc(N[C@H]2CCSc3ccccc32)ccc1[N+](=O)[O-] ZINC000042247772 132150894 /nfs/dbraw/zinc/15/08/94/132150894.db2.gz JRVCZRNEWQPPII-AWEZNQCLSA-N 0 0 300.383 4.552 20 5 DJBDRN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320591949 335088459 /nfs/dbraw/zinc/08/84/59/335088459.db2.gz XCIGPYOKFOFJQW-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN Cc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000514082338 332866895 /nfs/dbraw/zinc/86/68/95/332866895.db2.gz HFGMINULCNNUHX-OAHLLOKOSA-N 0 0 302.399 4.615 20 5 DJBDRN C/C=C/c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000557936737 331826754 /nfs/dbraw/zinc/82/67/54/331826754.db2.gz PDDWMPNTMKDEHN-NSCUHMNNSA-N 0 0 316.744 4.534 20 5 DJBDRN O=[N+]([O-])c1ccc(NCc2ccc(C(F)F)cc2)c(Cl)c1 ZINC000131326862 332029369 /nfs/dbraw/zinc/02/93/69/332029369.db2.gz JOZSSVZSWYDMGX-UHFFFAOYSA-N 0 0 312.703 4.798 20 5 DJBDRN CC(C)c1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])s2)cc1 ZINC000409719490 332049776 /nfs/dbraw/zinc/04/97/76/332049776.db2.gz YWLKYCDYTWVGEI-CQSZACIVSA-N 0 0 317.414 4.516 20 5 DJBDRN Cc1cc(C)c([C@H](C)Sc2ncccc2[N+](=O)[O-])c(C)c1 ZINC000520088117 332122281 /nfs/dbraw/zinc/12/22/81/332122281.db2.gz ZMGPDLQEQYMQTL-ZDUSSCGKSA-N 0 0 302.399 4.768 20 5 DJBDRN Cc1cccc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000215737222 332199577 /nfs/dbraw/zinc/19/95/77/332199577.db2.gz DPCRQLMSMIYKDW-XSFVSMFZSA-N 0 0 316.360 4.887 20 5 DJBDRN Cc1ccc2cc([C@@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3C)oc2c1 ZINC000426061721 335095215 /nfs/dbraw/zinc/09/52/15/335095215.db2.gz VIEUPCKVMMCRSE-CQSZACIVSA-N 0 0 324.380 4.809 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2cccc(Oc3ccccc3)c2)cn1 ZINC000559582088 332272700 /nfs/dbraw/zinc/27/27/00/332272700.db2.gz RMIGTRFEBFUDMT-UHFFFAOYSA-N 0 0 308.293 4.574 20 5 DJBDRN CSc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000569672358 332657253 /nfs/dbraw/zinc/65/72/53/332657253.db2.gz QJPFDPKLDJFASG-QGZVFWFLSA-N 0 0 314.410 4.806 20 5 DJBDRN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000301089858 332969993 /nfs/dbraw/zinc/96/99/93/332969993.db2.gz MSTSSSOXBCWNGF-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN C[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178657454 333017952 /nfs/dbraw/zinc/01/79/52/333017952.db2.gz RIGPGWDXFXCIIS-MNOVXSKESA-N 0 0 322.767 4.799 20 5 DJBDRN CC(=O)c1ccc(Oc2ccc(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000054351577 333334840 /nfs/dbraw/zinc/33/48/40/333334840.db2.gz PROSLCPLVSIMTL-UHFFFAOYSA-N 0 0 305.717 4.552 20 5 DJBDRN C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000531443635 333353776 /nfs/dbraw/zinc/35/37/76/333353776.db2.gz GGPZYFKMKOPHNV-GHMZBOCLSA-N 0 0 322.767 4.799 20 5 DJBDRN CC(C)(C)c1csc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000531514681 333532990 /nfs/dbraw/zinc/53/29/90/333532990.db2.gz HRWAYJARHYBQLZ-UHFFFAOYSA-N 0 0 308.428 4.641 20 5 DJBDRN Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2F)cccc1[N+](=O)[O-] ZINC000187577959 334265363 /nfs/dbraw/zinc/26/53/63/334265363.db2.gz MBWJSQGHGSEZQZ-LLVKDONJSA-N 0 0 322.767 4.547 20 5 DJBDRN Cc1cccc(OCc2csc(C3CCCC3)n2)c1[N+](=O)[O-] ZINC000535121451 334370869 /nfs/dbraw/zinc/37/08/69/334370869.db2.gz YEOOIPUMVWYJJR-UHFFFAOYSA-N 0 0 318.398 4.596 20 5 DJBDRN CC(C)(C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000440585828 334525148 /nfs/dbraw/zinc/52/51/48/334525148.db2.gz AJPYWYZAUNNZQK-UHFFFAOYSA-N 0 0 306.387 4.529 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3ccccc32)c2cccnc21 ZINC000324369680 336199346 /nfs/dbraw/zinc/19/93/46/336199346.db2.gz SYFULKMCKQDBGS-MRXNPFEDSA-N 0 0 319.364 4.633 20 5 DJBDRN O=[N+]([O-])c1ccc(SCc2cccc(Br)c2)cc1 ZINC000042203497 336237277 /nfs/dbraw/zinc/23/72/77/336237277.db2.gz TYROOQHDUMQICQ-UHFFFAOYSA-N 0 0 324.199 4.650 20 5 DJBDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000192724755 336260189 /nfs/dbraw/zinc/26/01/89/336260189.db2.gz DSRLSZXEYVXZMZ-NWDGAFQWSA-N 0 0 320.339 4.593 20 5 DJBDRN C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000192744109 336260307 /nfs/dbraw/zinc/26/03/07/336260307.db2.gz GQXHCNSXHMGXKD-NSHDSACASA-N 0 0 323.352 4.787 20 5 DJBDRN CCC(=O)c1ccc(NCc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000527034842 336279769 /nfs/dbraw/zinc/27/97/69/336279769.db2.gz AQHDTJBIDXCDCZ-UHFFFAOYSA-N 0 0 324.336 4.546 20 5 DJBDRN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCSc2c(F)cccc21 ZINC000301076640 336288679 /nfs/dbraw/zinc/28/86/79/336288679.db2.gz HHERENNRNPIJFS-GFCCVEGCSA-N 0 0 322.336 4.522 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000301094914 336289768 /nfs/dbraw/zinc/28/97/68/336289768.db2.gz QPSAWCGYXIPIJR-CYBMUJFWSA-N 0 0 322.336 4.522 20 5 DJBDRN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000301165053 336292865 /nfs/dbraw/zinc/29/28/65/336292865.db2.gz BWYJZNZBYRKRPJ-VIFPVBQESA-N 0 0 323.393 4.661 20 5 DJBDRN O=[N+]([O-])c1cnc(Oc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000301281506 336298451 /nfs/dbraw/zinc/29/84/51/336298451.db2.gz ONVNWMUOANUPFI-UHFFFAOYSA-N 0 0 319.531 4.742 20 5 DJBDRN O=[N+]([O-])c1cnc(Oc2ccc3ccccc3c2)c(Cl)c1 ZINC000301296932 336299514 /nfs/dbraw/zinc/29/95/14/336299514.db2.gz YHTYPZLOEXMVPS-UHFFFAOYSA-N 0 0 300.701 4.589 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000301418578 336305507 /nfs/dbraw/zinc/30/55/07/336305507.db2.gz CXIVEHFOTMQXPA-CQSZACIVSA-N 0 0 319.364 4.830 20 5 DJBDRN COCc1cc([N+](=O)[O-])ccc1NCc1cccc2ccccc21 ZINC000301434349 336306578 /nfs/dbraw/zinc/30/65/78/336306578.db2.gz IPVUHMWJUVDFCQ-UHFFFAOYSA-N 0 0 322.364 4.507 20 5 DJBDRN CCSc1ccc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000301451783 336307673 /nfs/dbraw/zinc/30/76/73/336307673.db2.gz UNVCZLQHNBXIEI-LBPRGKRZSA-N 0 0 317.414 4.583 20 5 DJBDRN Cc1nc(N[C@@H](CC(C)C)c2cccs2)ccc1[N+](=O)[O-] ZINC000301630894 336319315 /nfs/dbraw/zinc/31/93/15/336319315.db2.gz CLNSNVXDGDTSOB-LBPRGKRZSA-N 0 0 305.403 4.559 20 5 DJBDRN Cc1nc(N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000301649322 336320620 /nfs/dbraw/zinc/32/06/20/336320620.db2.gz PBVVQOMXDJBYDS-MRXNPFEDSA-N 0 0 317.776 4.515 20 5 DJBDRN CCSc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000301650410 336320757 /nfs/dbraw/zinc/32/07/57/336320757.db2.gz PQKBUEZYESVDDP-NSHDSACASA-N 0 0 317.414 4.583 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1nc(C(F)(F)F)cs1 ZINC000301738672 336326706 /nfs/dbraw/zinc/32/67/06/336326706.db2.gz SOOZAHCWOIUQMC-UHFFFAOYSA-N 0 0 324.667 4.516 20 5 DJBDRN Cc1cc(NCc2cccc(-c3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000301777478 336329178 /nfs/dbraw/zinc/32/91/78/336329178.db2.gz IBOAHNOFHHKULN-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN CCCOc1ccc(Cl)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000314764820 336384221 /nfs/dbraw/zinc/38/42/21/336384221.db2.gz VYBWHSAMNNHCJM-UHFFFAOYSA-N 0 0 320.776 4.649 20 5 DJBDRN Cc1c(CNc2ccc([N+](=O)[O-])cc2F)oc2ccc(F)cc12 ZINC000357237922 336577768 /nfs/dbraw/zinc/57/77/68/336577768.db2.gz GGBXNIFUGDIAIA-UHFFFAOYSA-N 0 0 318.279 4.540 20 5 DJBDRN CCCOc1cc(C)ccc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000321119032 337199545 /nfs/dbraw/zinc/19/95/45/337199545.db2.gz CITOSJYNXGIQSC-CQSZACIVSA-N 0 0 314.385 4.865 20 5 DJBDRN Cc1cc(N[C@H]2CCSc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000315124026 337980943 /nfs/dbraw/zinc/98/09/43/337980943.db2.gz IYYXKAOGVDVQLZ-AWEZNQCLSA-N 0 0 318.373 4.691 20 5 DJBDRN Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000315325757 337984388 /nfs/dbraw/zinc/98/43/88/337984388.db2.gz LREWTSDAMDJVCG-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN O=[N+]([O-])c1ccc(/C=C/c2csc(Cl)c2Cl)nc1 ZINC000431583671 338134159 /nfs/dbraw/zinc/13/41/59/338134159.db2.gz SRFPTGCBDDQQNT-OWOJBTEDSA-N 0 0 301.154 4.529 20 5 DJBDRN Cc1ccc(SCc2nc3cc([N+](=O)[O-])ccc3o2)c(C)c1 ZINC000434812913 338226166 /nfs/dbraw/zinc/22/61/66/338226166.db2.gz HXOIOKWUVBVUGA-UHFFFAOYSA-N 0 0 314.366 4.645 20 5 DJBDRN COc1ccccc1[C@@H](C)Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434954835 338228185 /nfs/dbraw/zinc/22/81/85/338228185.db2.gz KTWNJXDDGIJJJE-SECBINFHSA-N 0 0 324.789 4.505 20 5 DJBDRN C[C@@H](Nc1cccc(C(C)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000435941848 338253807 /nfs/dbraw/zinc/25/38/07/338253807.db2.gz LJBSHRJHSHXERJ-LLVKDONJSA-N 0 0 306.312 4.880 20 5 DJBDRN O=[N+]([O-])c1ccccc1CSc1nc(-c2ccccc2)co1 ZINC000436259080 338263984 /nfs/dbraw/zinc/26/39/84/338263984.db2.gz JUHNAVLSCZRBIM-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN C[C@H](SCCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000437259251 338305003 /nfs/dbraw/zinc/30/50/03/338305003.db2.gz QEMDDDADEDGCMB-AWEZNQCLSA-N 0 0 317.410 4.858 20 5 DJBDRN CCCc1nc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000437268960 338305461 /nfs/dbraw/zinc/30/54/61/338305461.db2.gz QFLFUYBRTJTWIG-NSHDSACASA-N 0 0 322.455 4.998 20 5 DJBDRN COc1ccc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000437284704 338306130 /nfs/dbraw/zinc/30/61/30/338306130.db2.gz BWXMGQDPMOVNII-NSHDSACASA-N 0 0 321.373 4.737 20 5 DJBDRN C[C@@H](SCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC000437295175 338306457 /nfs/dbraw/zinc/30/64/57/338306457.db2.gz TZQGSRBHGAZBQI-SNVBAGLBSA-N 0 0 309.337 4.867 20 5 DJBDRN Cc1nc(C)c(CS[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000437435949 338309992 /nfs/dbraw/zinc/30/99/92/338309992.db2.gz ZMPDNPMUXKBFIS-SNVBAGLBSA-N 0 0 308.428 4.663 20 5 DJBDRN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000437741623 338319757 /nfs/dbraw/zinc/31/97/57/338319757.db2.gz DBSRLOYKIZGDEU-LSDHHAIUSA-N 0 0 318.420 4.649 20 5 DJBDRN Cc1cscc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000439604058 338374376 /nfs/dbraw/zinc/37/43/76/338374376.db2.gz PAZVVQIWUGLTRA-UHFFFAOYSA-N 0 0 318.398 4.515 20 5 DJBDRN CSc1ccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447585908 338559362 /nfs/dbraw/zinc/55/93/62/338559362.db2.gz KVWKQTLOYJKOBO-QGZVFWFLSA-N 0 0 314.410 4.806 20 5 DJBDRN CCC(CC)c1cc(CNc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000462897851 339096706 /nfs/dbraw/zinc/09/67/06/339096706.db2.gz SULKLSTZYSEFRM-UHFFFAOYSA-N 0 0 323.780 4.752 20 5 DJBDRN C[C@@H](Sc1nc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000463029982 339101746 /nfs/dbraw/zinc/10/17/46/339101746.db2.gz UTBFRNJOPSZOMU-SNVBAGLBSA-N 0 0 300.339 4.589 20 5 DJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cscc1-c1ccccc1 ZINC000463126641 339106500 /nfs/dbraw/zinc/10/65/00/339106500.db2.gz UPTABHGPKNQAME-UHFFFAOYSA-N 0 0 324.361 4.576 20 5 DJBDRN Cc1ccc2oc(S[C@H](C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000463262202 339112432 /nfs/dbraw/zinc/11/24/32/339112432.db2.gz YUQGFQJAYXWNRJ-LLVKDONJSA-N 0 0 314.366 4.898 20 5 DJBDRN C[C@@H](Sc1ccnc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000463262899 339112435 /nfs/dbraw/zinc/11/24/35/339112435.db2.gz UOYGEBASKPWFMQ-GFCCVEGCSA-N 0 0 310.378 4.996 20 5 DJBDRN C[C@H](Sc1ccnc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000463262904 339112490 /nfs/dbraw/zinc/11/24/90/339112490.db2.gz UOYGEBASKPWFMQ-LBPRGKRZSA-N 0 0 310.378 4.996 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)CC(C)(C)C ZINC000467462633 339239907 /nfs/dbraw/zinc/23/99/07/339239907.db2.gz BXAGVLGTTXDNQG-UHFFFAOYSA-N 0 0 321.421 4.548 20 5 DJBDRN CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000470856711 339329353 /nfs/dbraw/zinc/32/93/53/339329353.db2.gz HENSGDYXIHCAIW-CYBMUJFWSA-N 0 0 305.765 4.515 20 5 DJBDRN CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000470856714 339329371 /nfs/dbraw/zinc/32/93/71/339329371.db2.gz HENSGDYXIHCAIW-ZDUSSCGKSA-N 0 0 305.765 4.515 20 5 DJBDRN C[C@@H](Sc1ncc(C(C)(C)C)o1)c1ccccc1[N+](=O)[O-] ZINC000474412567 339413305 /nfs/dbraw/zinc/41/33/05/339413305.db2.gz MCRIYKQNMJXYSC-SNVBAGLBSA-N 0 0 306.387 4.734 20 5 DJBDRN CCC[C@@H](CC)S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477060269 339485746 /nfs/dbraw/zinc/48/57/46/339485746.db2.gz CQIZXWOQXUKBNA-CHWSQXEVSA-N 0 0 324.446 4.542 20 5 DJBDRN CC[C@@H](C)n1ncc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000477915179 339504330 /nfs/dbraw/zinc/50/43/30/339504330.db2.gz IGYVJJDOCAJKOE-OLZOCXBDSA-N 0 0 316.405 4.552 20 5 DJBDRN Cc1cc(OCc2ccc(C(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000478900683 339524293 /nfs/dbraw/zinc/52/42/93/339524293.db2.gz VCFVHDRUJRACQT-UHFFFAOYSA-N 0 0 311.259 4.559 20 5 DJBDRN CC[C@H](C)CN(CC)C(=O)c1cc2ccccc2c2cccnc12 ZINC000490883930 339842717 /nfs/dbraw/zinc/84/27/17/339842717.db2.gz DAOUVNUIMLSXJG-HNNXBMFYSA-N 0 0 320.436 4.896 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000492727979 339907518 /nfs/dbraw/zinc/90/75/18/339907518.db2.gz LZROMRSMSPZYOA-VXGBXAGGSA-N 0 0 320.339 4.593 20 5 DJBDRN CC[C@H](Sc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000494133199 339941811 /nfs/dbraw/zinc/94/18/11/339941811.db2.gz ORMGLWGFBDFOPY-ZDUSSCGKSA-N 0 0 308.790 4.887 20 5 DJBDRN Cc1cc([C@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000494782643 339960053 /nfs/dbraw/zinc/96/00/53/339960053.db2.gz MKWXIVBWBPBHJW-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]1c1ccccc1 ZINC000498837509 340024200 /nfs/dbraw/zinc/02/42/00/340024200.db2.gz LOYIBMXZUOODTK-CYBMUJFWSA-N 0 0 322.286 4.565 20 5 DJBDRN Cc1cccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000502181222 340096598 /nfs/dbraw/zinc/09/65/98/340096598.db2.gz DPCRQLMSMIYKDW-ZHZULCJRSA-N 0 0 316.360 4.887 20 5 DJBDRN Cc1c(NC(=O)Nc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000502704058 340111374 /nfs/dbraw/zinc/11/13/74/340111374.db2.gz VYASHJNMMXASRF-UHFFFAOYSA-N 0 0 313.357 4.671 20 5 DJBDRN CC[C@@H](c1ccccc1)N(CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505802127 340178397 /nfs/dbraw/zinc/17/83/97/340178397.db2.gz LUUZWOYUPUAZFK-KRWDZBQOSA-N 0 0 316.376 4.707 20 5 DJBDRN C[C@@H](c1cccc(Cl)c1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505818914 340178773 /nfs/dbraw/zinc/17/87/73/340178773.db2.gz DINLGZPRNJIHMQ-NSHDSACASA-N 0 0 322.767 4.580 20 5 DJBDRN O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000507928613 340236041 /nfs/dbraw/zinc/23/60/41/340236041.db2.gz DOSYKGBDTOZRNY-LJQANCHMSA-N 0 0 310.397 4.616 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C=C/c1nc2ccccc2s1 ZINC000508596736 340247252 /nfs/dbraw/zinc/24/72/52/340247252.db2.gz FHEUCFMINCWXQO-CAOUKYIASA-N 0 0 308.362 4.931 20 5 DJBDRN CCC[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000509036469 340259020 /nfs/dbraw/zinc/25/90/20/340259020.db2.gz YKBXSGBSRAMVNY-KRWDZBQOSA-N 0 0 320.339 4.504 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2ncc(-c3ccccc3)o2)c1 ZINC000509090697 340261050 /nfs/dbraw/zinc/26/10/50/340261050.db2.gz SDLFCNAARSNJQU-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2ncc(Cl)cc2Cl)c1 ZINC000509731813 340278115 /nfs/dbraw/zinc/27/81/15/340278115.db2.gz XGWGXSRLGCHLSF-UHFFFAOYSA-N 0 0 315.181 4.589 20 5 DJBDRN Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000303133446 340304182 /nfs/dbraw/zinc/30/41/82/340304182.db2.gz BRIRHAYQVAKAQG-UHFFFAOYSA-N 0 0 308.337 4.775 20 5 DJBDRN Cc1ccc2oc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000303530703 340331241 /nfs/dbraw/zinc/33/12/41/340331241.db2.gz DUPAEZWBNDZCSF-NSHDSACASA-N 0 0 314.366 4.898 20 5 DJBDRN CC(=O)c1ccc(Oc2cc(Cl)ccc2C)c([N+](=O)[O-])c1 ZINC000088730016 340462968 /nfs/dbraw/zinc/46/29/68/340462968.db2.gz BMYNMPHQKFHBHO-UHFFFAOYSA-N 0 0 305.717 4.552 20 5 DJBDRN CC(C)c1nc(CSCc2ccccc2[N+](=O)[O-])cs1 ZINC000517176107 340465008 /nfs/dbraw/zinc/46/50/08/340465008.db2.gz ZQJCFMYPSBNOKB-UHFFFAOYSA-N 0 0 308.428 4.608 20 5 DJBDRN C[C@H](SCc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000183434171 340487875 /nfs/dbraw/zinc/48/78/75/340487875.db2.gz SUCOBOADKVLTOT-NSHDSACASA-N 0 0 314.366 4.730 20 5 DJBDRN COc1ccc(CS[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000521557526 340524948 /nfs/dbraw/zinc/52/49/48/340524948.db2.gz ULPVZZHVLZCKKL-GFCCVEGCSA-N 0 0 303.383 4.598 20 5 DJBDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000195646054 340584197 /nfs/dbraw/zinc/58/41/97/340584197.db2.gz RQSRBLPHBPFJAK-ZIAGYGMSSA-N 0 0 306.409 4.552 20 5 DJBDRN CCC[C@H](C)CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000522873271 340608798 /nfs/dbraw/zinc/60/87/98/340608798.db2.gz SKHQOUOBSUNHSN-AWEZNQCLSA-N 0 0 318.417 4.697 20 5 DJBDRN O=[N+]([O-])c1cccnc1N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000303154146 340633400 /nfs/dbraw/zinc/63/34/00/340633400.db2.gz DANOYKBWPJBUGM-HNNXBMFYSA-N 0 0 317.776 4.597 20 5 DJBDRN CC[C@@H](Nc1ccc(SC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000037010408 340735874 /nfs/dbraw/zinc/73/58/74/340735874.db2.gz GSLSRLSKKAKUIT-MRXNPFEDSA-N 0 0 302.399 4.880 20 5 DJBDRN C[C@@H](Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176942 340769379 /nfs/dbraw/zinc/76/93/79/340769379.db2.gz PHOWQDHCSJGUBF-SNVBAGLBSA-N 0 0 321.174 4.530 20 5 DJBDRN Cc1c([C@@H](C)Nc2cccc3ccncc32)cccc1[N+](=O)[O-] ZINC000539727088 340897383 /nfs/dbraw/zinc/89/73/83/340897383.db2.gz CFYOEMKGWBHYHQ-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN O=[N+]([O-])c1ccc(CCSCCCCC(F)(F)F)cc1 ZINC000539767806 340899000 /nfs/dbraw/zinc/89/90/00/340899000.db2.gz IIWBTTAODLHQFF-UHFFFAOYSA-N 0 0 307.337 4.603 20 5 DJBDRN Cc1cc2cc([C@H](C)NCc3ccccc3[N+](=O)[O-])oc2cc1C ZINC000540192329 340922507 /nfs/dbraw/zinc/92/25/07/340922507.db2.gz DULJIPPBXNWXNI-AWEZNQCLSA-N 0 0 324.380 4.809 20 5 DJBDRN Cc1cc2cc([C@@H](C)NCc3ccccc3[N+](=O)[O-])oc2cc1C ZINC000540192330 340922545 /nfs/dbraw/zinc/92/25/45/340922545.db2.gz DULJIPPBXNWXNI-CQSZACIVSA-N 0 0 324.380 4.809 20 5 DJBDRN c1ccc2c(c1)nc(CS[C@H]1CCCOC1)c1ccccc21 ZINC000542788196 341020735 /nfs/dbraw/zinc/02/07/35/341020735.db2.gz XBWOENADNWJABI-AWEZNQCLSA-N 0 0 309.434 4.800 20 5 DJBDRN CSc1cccc(NCc2ccc([N+](=O)[O-])cc2C)c1C ZINC000543632465 341052262 /nfs/dbraw/zinc/05/22/62/341052262.db2.gz UAOVGONFTVHMML-UHFFFAOYSA-N 0 0 302.399 4.546 20 5 DJBDRN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000076761519 341213769 /nfs/dbraw/zinc/21/37/69/341213769.db2.gz NGRGWKPCTMUJBD-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN C[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078991511 341251422 /nfs/dbraw/zinc/25/14/22/341251422.db2.gz BGMQVLKBKNIYDI-IFXJQAMLSA-N 0 0 322.364 4.628 20 5 DJBDRN C[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078991493 341251493 /nfs/dbraw/zinc/25/14/93/341251493.db2.gz BGMQVLKBKNIYDI-LIRRHRJNSA-N 0 0 322.364 4.628 20 5 DJBDRN Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000549867925 341305668 /nfs/dbraw/zinc/30/56/68/341305668.db2.gz ICXNATRLGPVAFP-UHFFFAOYSA-N 0 0 318.804 4.582 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc2ccccc21 ZINC000086613580 341384614 /nfs/dbraw/zinc/38/46/14/341384614.db2.gz CIXJUHKHGLMSET-UHFFFAOYSA-N 0 0 320.348 4.617 20 5 DJBDRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000191555944 521425851 /nfs/dbraw/zinc/42/58/51/521425851.db2.gz HISPZNFIDSCCJO-UHFFFAOYSA-N 0 0 316.357 4.516 20 5 DJBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(Cl)s1 ZINC000227649128 525681250 /nfs/dbraw/zinc/68/12/50/525681250.db2.gz VWQVXXJHVNPGGU-LURJTMIESA-N 0 0 318.185 4.531 20 5 DJBDRN Cc1cccc(C)c1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190391692 334926363 /nfs/dbraw/zinc/92/63/63/334926363.db2.gz DYPITZAHPCRPGD-UHFFFAOYSA-N 0 0 312.369 4.587 20 5 DJBDRN O=[N+]([O-])c1ccc(Sc2ccccc2Cl)c2ccncc21 ZINC000015208167 181992256 /nfs/dbraw/zinc/99/22/56/181992256.db2.gz BZABSYVOBXNCMM-UHFFFAOYSA-N 0 0 316.769 4.948 20 5 DJBDRN C[C@H](Nc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526048 182226997 /nfs/dbraw/zinc/22/69/97/182226997.db2.gz SZTQACHBOIAUEY-JTQLQIEISA-N 0 0 321.174 4.530 20 5 DJBDRN Cc1ccc2cc([C@H](C)NCc3ccccc3[N+](=O)[O-])oc2c1 ZINC000426039643 335043838 /nfs/dbraw/zinc/04/38/38/335043838.db2.gz OFOUZIJNVOFPSL-ZDUSSCGKSA-N 0 0 310.353 4.500 20 5 DJBDRN O=c1[nH]c([C@@H]2CCCC(F)(F)C2)nc2cc3ccccc3cc12 ZINC000286945917 131257479 /nfs/dbraw/zinc/25/74/79/131257479.db2.gz AHVQGVPQZGAPAU-CYBMUJFWSA-N 0 0 314.335 4.782 20 5 DJBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000320597212 335090413 /nfs/dbraw/zinc/09/04/13/335090413.db2.gz CSAPNXWIPOZNCM-MRXNPFEDSA-N 0 0 307.353 4.706 20 5 DJBDRN C[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)[C@H]1C ZINC000525548788 331934924 /nfs/dbraw/zinc/93/49/24/331934924.db2.gz HPVDMCDMVYEPCE-CABCVRRESA-N 0 0 318.420 4.649 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2ccccc2c1 ZINC000086167632 332018860 /nfs/dbraw/zinc/01/88/60/332018860.db2.gz FDHDVFBEFNIGFJ-UHFFFAOYSA-N 0 0 320.348 4.617 20 5 DJBDRN O=[N+]([O-])c1cnc(N[C@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000409721989 332051334 /nfs/dbraw/zinc/05/13/34/332051334.db2.gz TZCUQWNYVARTJI-AWEZNQCLSA-N 0 0 321.377 4.534 20 5 DJBDRN CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000426901426 332160626 /nfs/dbraw/zinc/16/06/26/332160626.db2.gz SGCYMDNGIAUPJY-SECBINFHSA-N 0 0 311.794 4.576 20 5 DJBDRN Cc1ccc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000215736807 332199638 /nfs/dbraw/zinc/19/96/38/332199638.db2.gz FWSINPIBLDXZBX-XSFVSMFZSA-N 0 0 316.360 4.887 20 5 DJBDRN Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320591947 332346994 /nfs/dbraw/zinc/34/69/94/332346994.db2.gz XCIGPYOKFOFJQW-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN CC(=O)c1cc(NCc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000561157097 332417603 /nfs/dbraw/zinc/41/76/03/332417603.db2.gz HLJYCGWADOLEBZ-UHFFFAOYSA-N 0 0 312.369 4.533 20 5 DJBDRN CC(C)Sc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000561804272 332499411 /nfs/dbraw/zinc/49/94/11/332499411.db2.gz KWQCZBYLPWGGMC-LBPRGKRZSA-N 0 0 317.414 4.663 20 5 DJBDRN Cc1c([C@H](C)Nc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000562034726 332534732 /nfs/dbraw/zinc/53/47/32/332534732.db2.gz SFNSQEXZBQOHSN-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN CSc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000569672357 332657210 /nfs/dbraw/zinc/65/72/10/332657210.db2.gz QJPFDPKLDJFASG-KRWDZBQOSA-N 0 0 314.410 4.806 20 5 DJBDRN CCc1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])c(OC)c1 ZINC000536536862 332960778 /nfs/dbraw/zinc/96/07/78/332960778.db2.gz RIHVBPPBGUUCGN-UHFFFAOYSA-N 0 0 324.336 4.506 20 5 DJBDRN Cc1c([C@H](C)[NH2+]Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000537937914 333336188 /nfs/dbraw/zinc/33/61/88/333336188.db2.gz FRSKZQDLDGLGMR-HNNXBMFYSA-N 0 0 320.392 4.907 20 5 DJBDRN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000531443638 333353781 /nfs/dbraw/zinc/35/37/81/333353781.db2.gz GGPZYFKMKOPHNV-WDEREUQCSA-N 0 0 322.767 4.799 20 5 DJBDRN CSc1cccc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000021027758 333412823 /nfs/dbraw/zinc/41/28/23/333412823.db2.gz LPOHLKDLGXRVTL-GFCCVEGCSA-N 0 0 302.399 4.798 20 5 DJBDRN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000276551953 334081645 /nfs/dbraw/zinc/08/16/45/334081645.db2.gz QOJBAEFJWGEZIZ-ZJUUUORDSA-N 0 0 310.806 4.722 20 5 DJBDRN CSc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000049963120 334359608 /nfs/dbraw/zinc/35/96/08/334359608.db2.gz QJQGVSRNKAYHGL-UHFFFAOYSA-N 0 0 308.790 4.582 20 5 DJBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1Cl ZINC000443519066 338453517 /nfs/dbraw/zinc/45/35/17/338453517.db2.gz NCVJIOSDIBSZLR-LURJTMIESA-N 0 0 318.185 4.531 20 5 DJBDRN CCc1c2ccccc2oc1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000324288473 336127251 /nfs/dbraw/zinc/12/72/51/336127251.db2.gz RFPUWOZLJBVRTI-ZDUSSCGKSA-N 0 0 324.380 4.754 20 5 DJBDRN Cc1csc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000379275660 336262337 /nfs/dbraw/zinc/26/23/37/336262337.db2.gz OJMZMKCJBPAKED-UHFFFAOYSA-N 0 0 316.304 4.596 20 5 DJBDRN CC(C)Sc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000301214741 336295262 /nfs/dbraw/zinc/29/52/62/336295262.db2.gz XENSQVQGXYUMEZ-LBPRGKRZSA-N 0 0 317.414 4.663 20 5 DJBDRN Cc1cc(N[C@H](C)c2cccc3ccccc32)ncc1[N+](=O)[O-] ZINC000301428243 336306070 /nfs/dbraw/zinc/30/60/70/336306070.db2.gz MTWCKZSOGOYRDD-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN Cc1cc(NCc2ccc(-c3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000301461625 336308292 /nfs/dbraw/zinc/30/82/92/336308292.db2.gz USOKMEGDJMSZGU-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000301483857 336309699 /nfs/dbraw/zinc/30/96/99/336309699.db2.gz UTWKALHEOPLDAL-CQSZACIVSA-N 0 0 319.364 4.830 20 5 DJBDRN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCSc3ccccc32)c(F)c1 ZINC000301813798 336331805 /nfs/dbraw/zinc/33/18/05/336331805.db2.gz ZEISVAOKDITAGO-CYBMUJFWSA-N 0 0 322.336 4.522 20 5 DJBDRN COCc1cc([N+](=O)[O-])ccc1N[C@H](C)c1c(C)cccc1C ZINC000302243096 336355995 /nfs/dbraw/zinc/35/59/95/336355995.db2.gz YVVHCQZKIAYPFY-CQSZACIVSA-N 0 0 314.385 4.531 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)c(Oc2ccc(Cl)nc2)c(Cl)c1 ZINC000302264092 336356347 /nfs/dbraw/zinc/35/63/47/336356347.db2.gz DXBBKDTXCRWPHB-UHFFFAOYSA-N 0 0 319.531 4.742 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1OC(F)F ZINC000302788618 336369208 /nfs/dbraw/zinc/36/92/08/336369208.db2.gz XORPFSBXJSZCRT-UHFFFAOYSA-N 0 0 315.659 4.642 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000314797512 336393522 /nfs/dbraw/zinc/39/35/22/336393522.db2.gz DEUXVMIHKJPKQF-SNVBAGLBSA-N 0 0 300.289 4.653 20 5 DJBDRN Cc1csc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000393319703 337091865 /nfs/dbraw/zinc/09/18/65/337091865.db2.gz ZOYIOBMILYARBK-UHFFFAOYSA-N 0 0 316.304 4.596 20 5 DJBDRN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000035252219 337741987 /nfs/dbraw/zinc/74/19/87/337741987.db2.gz IOSRNESDRRGBEO-ZETCQYMHSA-N 0 0 300.742 4.622 20 5 DJBDRN Cc1c(CNc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000035648838 337744028 /nfs/dbraw/zinc/74/40/28/337744028.db2.gz LFOFCYUCEKFRDC-UHFFFAOYSA-N 0 0 311.168 4.822 20 5 DJBDRN CC[C@@H](N[C@H](C)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000119654051 337863782 /nfs/dbraw/zinc/86/37/82/337863782.db2.gz RWCMGXXTFGTIQO-BDJLRTHQSA-N 0 0 320.339 4.675 20 5 DJBDRN Cc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000537448613 337936641 /nfs/dbraw/zinc/93/66/41/337936641.db2.gz COPAVLPTICQXCM-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN CCOCc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000537451289 337936931 /nfs/dbraw/zinc/93/69/31/337936931.db2.gz XBIAHTLLSPQQBY-CQSZACIVSA-N 0 0 314.385 4.613 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000315179379 337981770 /nfs/dbraw/zinc/98/17/70/337981770.db2.gz JBYPUBDXLQWWRL-JTQLQIEISA-N 0 0 310.275 4.787 20 5 DJBDRN O=[N+]([O-])c1cc(COc2ccc(Cl)cc2Cl)cs1 ZINC000515593564 337993727 /nfs/dbraw/zinc/99/37/27/337993727.db2.gz ZZTVHBYPGSOOCF-UHFFFAOYSA-N 0 0 304.154 4.542 20 5 DJBDRN CCc1nc(CS[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000437259852 338304952 /nfs/dbraw/zinc/30/49/52/338304952.db2.gz OZJVPIAJMNWZHO-SNVBAGLBSA-N 0 0 308.428 4.608 20 5 DJBDRN C[C@H](SCc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000437263360 338305153 /nfs/dbraw/zinc/30/51/53/338305153.db2.gz AOADESRNOUWDPW-JTQLQIEISA-N 0 0 309.337 4.867 20 5 DJBDRN Cc1ccc(-c2nc(/C=C\c3ccc([N+](=O)[O-])cn3)cs2)cc1 ZINC000439508982 338372151 /nfs/dbraw/zinc/37/21/51/338372151.db2.gz DOAYDZSPDUMGSA-SREVYHEPSA-N 0 0 323.377 4.592 20 5 DJBDRN CSc1ccccc1[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000440679840 338395137 /nfs/dbraw/zinc/39/51/37/338395137.db2.gz ZAPCQVYDBKYJAJ-VIFPVBQESA-N 0 0 323.805 4.538 20 5 DJBDRN O=[N+]([O-])c1cccc2nc(/C=C/c3scnc3C3CC3)ccc21 ZINC000447358938 338550591 /nfs/dbraw/zinc/55/05/91/338550591.db2.gz JVHJAYOLXVEGHM-VQHVLOKHSA-N 0 0 323.377 4.647 20 5 DJBDRN O=[N+]([O-])c1cnc(Oc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000195506095 338903603 /nfs/dbraw/zinc/90/36/03/338903603.db2.gz QSZHBLLSKUAYOB-UHFFFAOYSA-N 0 0 324.667 4.516 20 5 DJBDRN Cc1cccc(C)c1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000462210587 339074169 /nfs/dbraw/zinc/07/41/69/339074169.db2.gz OQTDBDKCWFVYNC-UHFFFAOYSA-N 0 0 314.385 4.611 20 5 DJBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccccc1Cl ZINC000462215606 339074324 /nfs/dbraw/zinc/07/43/24/339074324.db2.gz QWLNCTVNTBBBNO-UHFFFAOYSA-N 0 0 320.776 4.648 20 5 DJBDRN Cc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1C ZINC000462221006 339074422 /nfs/dbraw/zinc/07/44/22/339074422.db2.gz VKFVWQOZBWCFGM-UHFFFAOYSA-N 0 0 314.385 4.611 20 5 DJBDRN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000462778967 339088193 /nfs/dbraw/zinc/08/81/93/339088193.db2.gz RAUSAQLYKMCAAD-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN Cc1ccc2[nH]c(S[C@@H](C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000463039103 339102570 /nfs/dbraw/zinc/10/25/70/339102570.db2.gz XOJJUKMDUANBER-NSHDSACASA-N 0 0 313.382 4.633 20 5 DJBDRN CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000463053373 339103273 /nfs/dbraw/zinc/10/32/73/339103273.db2.gz LACWMTXVQWKTHX-ZDUSSCGKSA-N 0 0 305.765 4.515 20 5 DJBDRN COc1ccccc1CS[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000463188046 339108544 /nfs/dbraw/zinc/10/85/44/339108544.db2.gz BGHHQJINWFOTTK-LBPRGKRZSA-N 0 0 303.383 4.598 20 5 DJBDRN COc1ccccc1[C@@H](C)SCc1c(F)cccc1[N+](=O)[O-] ZINC000463192008 339108776 /nfs/dbraw/zinc/10/87/76/339108776.db2.gz KCWYBIIKRUSKCI-LLVKDONJSA-N 0 0 321.373 4.737 20 5 DJBDRN COc1ccccc1[C@@H](C)SCc1csc([N+](=O)[O-])c1 ZINC000463197696 339108948 /nfs/dbraw/zinc/10/89/48/339108948.db2.gz BHNGRYPUBUHDQP-SNVBAGLBSA-N 0 0 309.412 4.659 20 5 DJBDRN Cc1cc(NCc2cccc(-c3cccnc3)c2)ccc1[N+](=O)[O-] ZINC000463563759 339121469 /nfs/dbraw/zinc/12/14/69/339121469.db2.gz QMCBIZRRYIOSKD-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN CC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000471542819 339347042 /nfs/dbraw/zinc/34/70/42/339347042.db2.gz PBABZFSZVODMLC-UHFFFAOYSA-N 0 0 305.717 4.552 20 5 DJBDRN CC[C@H](C)n1ncc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000477915185 339504350 /nfs/dbraw/zinc/50/43/50/339504350.db2.gz IGYVJJDOCAJKOE-STQMWFEESA-N 0 0 316.405 4.552 20 5 DJBDRN CC[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000478292953 339512818 /nfs/dbraw/zinc/51/28/18/339512818.db2.gz YBHBNCSXQVACNF-OAHLLOKOSA-N 0 0 318.420 4.650 20 5 DJBDRN Cc1[nH]c2c(cc(C)cc2CNc2ccc([N+](=O)[O-])cc2)c1C ZINC000480334302 339569463 /nfs/dbraw/zinc/56/94/63/339569463.db2.gz NPFRDIKSKHUDBO-UHFFFAOYSA-N 0 0 309.369 4.613 20 5 DJBDRN CCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000481808371 339614399 /nfs/dbraw/zinc/61/43/99/339614399.db2.gz AGIATBWJPZHMEQ-UHFFFAOYSA-N 0 0 323.707 4.772 20 5 DJBDRN Cc1nc(C)c(CS[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000486170615 339722582 /nfs/dbraw/zinc/72/25/82/339722582.db2.gz LLCTUJWULYTFMT-NSHDSACASA-N 0 0 322.455 4.971 20 5 DJBDRN Cc1nc(N[C@H]2CCCc3sc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000488762516 339792944 /nfs/dbraw/zinc/79/29/44/339792944.db2.gz PBFMYPOTUKWVNQ-JTQLQIEISA-N 0 0 323.805 4.503 20 5 DJBDRN C[C@@H](CSCc1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000490913920 339843433 /nfs/dbraw/zinc/84/34/33/339843433.db2.gz TUFYKNJWSKMPCA-ZETCQYMHSA-N 0 0 313.728 4.680 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1CSc1ncccc1Cl ZINC000501140832 340074971 /nfs/dbraw/zinc/07/49/71/340074971.db2.gz GOQLMXOQHFRLAO-UHFFFAOYSA-N 0 0 315.181 4.589 20 5 DJBDRN Cc1cc(C)cc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000501298803 340078297 /nfs/dbraw/zinc/07/82/97/340078297.db2.gz PAVJBGOFHHLPFS-CQSZACIVSA-N 0 0 321.380 4.933 20 5 DJBDRN CSc1cccc(NCc2c(F)cc([N+](=O)[O-])cc2F)c1C ZINC000506310815 340191865 /nfs/dbraw/zinc/19/18/65/340191865.db2.gz QBQZDXTYRQYSIJ-UHFFFAOYSA-N 0 0 324.352 4.515 20 5 DJBDRN C[C@H](SCCOc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000507879959 340235102 /nfs/dbraw/zinc/23/51/02/340235102.db2.gz MODGWXRACNNIKE-LBPRGKRZSA-N 0 0 321.373 4.607 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2ccc(-c3ccccc3)cc2)c1 ZINC000302816546 340282887 /nfs/dbraw/zinc/28/28/87/340282887.db2.gz WNXUDXRIDCEZMC-UHFFFAOYSA-N 0 0 304.349 4.874 20 5 DJBDRN Cc1cc(Nc2ccc(COC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000511712455 340336092 /nfs/dbraw/zinc/33/60/92/340336092.db2.gz BFEUPVVRXJRMTF-UHFFFAOYSA-N 0 0 300.358 4.572 20 5 DJBDRN C[C@@H](Sc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000512798755 340378183 /nfs/dbraw/zinc/37/81/83/340378183.db2.gz YOXFQHIAYXMHMY-GFCCVEGCSA-N 0 0 310.378 4.996 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000513108771 340393596 /nfs/dbraw/zinc/39/35/96/340393596.db2.gz SBLKUUAPRNPADD-UHFFFAOYSA-N 0 0 301.195 4.545 20 5 DJBDRN O=[N+]([O-])c1ccc(CSCc2cccc3cccnc32)cc1 ZINC000513816684 340426383 /nfs/dbraw/zinc/42/63/83/340426383.db2.gz RWDKQFAVPQNNPF-UHFFFAOYSA-N 0 0 310.378 4.576 20 5 DJBDRN Cc1oc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2c1C ZINC000192524429 340567366 /nfs/dbraw/zinc/56/73/66/340567366.db2.gz OMYOEPYFEQXLCI-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN CCN(CC(C)C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000192571753 340567859 /nfs/dbraw/zinc/56/78/59/340567859.db2.gz NPQYOZAOJOGDJT-UHFFFAOYSA-N 0 0 306.409 4.506 20 5 DJBDRN CCOc1ccccc1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000522282923 340597194 /nfs/dbraw/zinc/59/71/94/340597194.db2.gz ATKPIBUPTMYQPH-UHFFFAOYSA-N 0 0 314.385 4.729 20 5 DJBDRN CCc1ccc(Oc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000522405929 340600918 /nfs/dbraw/zinc/60/09/18/340600918.db2.gz MMEHXKSGYPLNID-UHFFFAOYSA-N 0 0 300.339 4.559 20 5 DJBDRN CC(=O)c1ccc(SCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000232475619 340632672 /nfs/dbraw/zinc/63/26/72/340632672.db2.gz 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CC(C)[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000248216775 341374801 /nfs/dbraw/zinc/37/48/01/341374801.db2.gz GPSZFUYEHDGGKZ-IBGZPJMESA-N 0 0 321.380 4.952 20 5 DJBDRN Cc1ccc2oc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2c1 ZINC000086624626 341384535 /nfs/dbraw/zinc/38/45/35/341384535.db2.gz QIKYRRRHQITKBG-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN O=C(Nc1ccsc1)c1cc2ccccc2c2cccnc12 ZINC000172396234 341798396 /nfs/dbraw/zinc/79/83/96/341798396.db2.gz PLSIZQZZOSHUGI-UHFFFAOYSA-N 0 0 304.374 4.702 20 5 DJBDRN CSCc1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178653609 341960989 /nfs/dbraw/zinc/96/09/89/341960989.db2.gz JXSOLAMZLXIAII-GFCCVEGCSA-N 0 0 302.399 4.631 20 5 DJBDRN O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(F)cc3)nc2c1 ZINC000007746141 181492046 /nfs/dbraw/zinc/49/20/46/181492046.db2.gz VYYLUHCDKOIBCQ-FPYGCLRLSA-N 0 0 300.314 4.514 20 5 DJBDRN O=[N+]([O-])c1ccc(NCc2cc3ccccc3o2)c2ccncc21 ZINC000097476240 193725714 /nfs/dbraw/zinc/72/57/14/193725714.db2.gz BNNGUWZLQJSCDM-UHFFFAOYSA-N 0 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CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000426901427 332160632 /nfs/dbraw/zinc/16/06/32/332160632.db2.gz SGCYMDNGIAUPJY-VIFPVBQESA-N 0 0 311.794 4.576 20 5 DJBDRN O=[N+]([O-])c1ccc(/C(=C/c2ccc(F)cc2)c2ccncc2)cc1 ZINC000215736452 332199756 /nfs/dbraw/zinc/19/97/56/332199756.db2.gz OXBNYOWUDGDYSS-UYRXBGFRSA-N 0 0 320.323 4.718 20 5 DJBDRN Cc1ccc2cc([C@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3C)oc2c1 ZINC000426061720 335095176 /nfs/dbraw/zinc/09/51/76/335095176.db2.gz VIEUPCKVMMCRSE-AWEZNQCLSA-N 0 0 324.380 4.809 20 5 DJBDRN COc1cc(N[C@@H](C)c2cc(C)sc2C)c(F)cc1[N+](=O)[O-] ZINC000301973825 332981674 /nfs/dbraw/zinc/98/16/74/332981674.db2.gz VDGGSVQHUKYSCW-VIFPVBQESA-N 0 0 324.377 4.594 20 5 DJBDRN Cc1coc(SCc2nc3ccccc3c3ccccc23)n1 ZINC000564776699 333008381 /nfs/dbraw/zinc/00/83/81/333008381.db2.gz YUGLCYWKIZHHDJ-UHFFFAOYSA-N 0 0 306.390 4.977 20 5 DJBDRN C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000314286818 333099331 /nfs/dbraw/zinc/09/93/31/333099331.db2.gz 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Cc1cc(N[C@H](c2ccc(Cl)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000301423202 336305661 /nfs/dbraw/zinc/30/56/61/336305661.db2.gz JQNXXGYCOWKNQA-INIZCTEOSA-N 0 0 317.776 4.515 20 5 DJBDRN CO[C@@H](C)c1cccc(Nc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000301956772 336339907 /nfs/dbraw/zinc/33/99/07/336339907.db2.gz MVUZGUGZMFQDAE-LBPRGKRZSA-N 0 0 323.352 4.594 20 5 DJBDRN COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1c(C)cccc1C ZINC000302243095 336356016 /nfs/dbraw/zinc/35/60/16/336356016.db2.gz YVVHCQZKIAYPFY-AWEZNQCLSA-N 0 0 314.385 4.531 20 5 DJBDRN CO[C@@H](CS[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000583765644 337331830 /nfs/dbraw/zinc/33/18/30/337331830.db2.gz AVWUNZOGBXLBDD-DYVFJYSZSA-N 0 0 317.410 4.777 20 5 DJBDRN Cc1cc([C@H](C)Nc2ccnc3c2cccc3[N+](=O)[O-])c(C)o1 ZINC000322164669 337574628 /nfs/dbraw/zinc/57/46/28/337574628.db2.gz NBKDYQDQBXFAIG-NSHDSACASA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1ccsc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000035232413 337742383 /nfs/dbraw/zinc/74/23/83/337742383.db2.gz QLTZHPWCORNSIL-UHFFFAOYSA-N 0 0 316.304 4.596 20 5 DJBDRN CC[C@H](Nc1cccc(SC)c1)c1cccc([N+](=O)[O-])c1 ZINC000036721072 337749366 /nfs/dbraw/zinc/74/93/66/337749366.db2.gz XMHQTWMEKVRRGA-INIZCTEOSA-N 0 0 302.399 4.880 20 5 DJBDRN Cc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000537448608 337936663 /nfs/dbraw/zinc/93/66/63/337936663.db2.gz COPAVLPTICQXCM-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN C[C@@H](C(=O)Nc1cccc(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000515335382 337985756 /nfs/dbraw/zinc/98/57/56/337985756.db2.gz QIPUKFWLLYZKFX-CYBMUJFWSA-N 0 0 324.380 4.605 20 5 DJBDRN CC(C)Oc1cccc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000515550400 337992479 /nfs/dbraw/zinc/99/24/79/337992479.db2.gz JCWASTRMPAKRMN-LBPRGKRZSA-N 0 0 318.348 4.694 20 5 DJBDRN CC(F)(F)c1cccc(NC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000436411746 338271625 /nfs/dbraw/zinc/27/16/25/338271625.db2.gz PVQUDZHOCCVHFY-ALCCZGGFSA-N 0 0 318.323 4.832 20 5 DJBDRN C[C@@H](SCCOc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000437277263 338305853 /nfs/dbraw/zinc/30/58/53/338305853.db2.gz PXXGFLBRPATBLA-GFCCVEGCSA-N 0 0 321.373 4.607 20 5 DJBDRN COc1ccc(CS[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000437284703 338306093 /nfs/dbraw/zinc/30/60/93/338306093.db2.gz BWXMGQDPMOVNII-LLVKDONJSA-N 0 0 321.373 4.737 20 5 DJBDRN C[C@@H](SCCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000437290757 338306319 /nfs/dbraw/zinc/30/63/19/338306319.db2.gz LEXHWDOMNCIIKY-GFCCVEGCSA-N 0 0 321.373 4.607 20 5 DJBDRN C[C@H](SCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC000437295173 338306494 /nfs/dbraw/zinc/30/64/94/338306494.db2.gz TZQGSRBHGAZBQI-JTQLQIEISA-N 0 0 309.337 4.867 20 5 DJBDRN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000437741619 338319828 /nfs/dbraw/zinc/31/98/28/338319828.db2.gz DBSRLOYKIZGDEU-HUUCEWRRSA-N 0 0 318.420 4.649 20 5 DJBDRN CCc1ccccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439213306 338364071 /nfs/dbraw/zinc/36/40/71/338364071.db2.gz QZYQAVKKQKBLKJ-UHFFFAOYSA-N 0 0 312.369 4.533 20 5 DJBDRN O=[N+]([O-])c1cccc2ccc(/C=C/c3scnc3C3CC3)nc21 ZINC000447352715 338550456 /nfs/dbraw/zinc/55/04/56/338550456.db2.gz BDXGMOKBLNRGCM-CMDGGOBGSA-N 0 0 323.377 4.647 20 5 DJBDRN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000451111419 338721538 /nfs/dbraw/zinc/72/15/38/338721538.db2.gz SZERNBNIHYKDOD-GHMZBOCLSA-N 0 0 322.767 4.799 20 5 DJBDRN Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1C(F)(F)F ZINC000462191732 339073648 /nfs/dbraw/zinc/07/36/48/339073648.db2.gz SUMDIVHYAVXZBA-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN Cc1c(CNc2ccc3c4c(cccc42)CC3)cccc1[N+](=O)[O-] ZINC000462196453 339073740 /nfs/dbraw/zinc/07/37/40/339073740.db2.gz BDKNAQPHVPCQLV-UHFFFAOYSA-N 0 0 318.376 4.767 20 5 DJBDRN CCCCOc1ccccc1NCc1cccc([N+](=O)[O-])c1C ZINC000462236381 339074849 /nfs/dbraw/zinc/07/48/49/339074849.db2.gz VWHXYEVXUAITPS-UHFFFAOYSA-N 0 0 314.385 4.694 20 5 DJBDRN Cc1c2ccccc2oc1[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000463047069 339102912 /nfs/dbraw/zinc/10/29/12/339102912.db2.gz CCPSMDDZHHZRGN-LBPRGKRZSA-N 0 0 311.341 4.526 20 5 DJBDRN CCCCCOc1ccc(Oc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000463052729 339103165 /nfs/dbraw/zinc/10/31/65/339103165.db2.gz GCFIGQOCIJDQTK-UHFFFAOYSA-N 0 0 316.357 4.660 20 5 DJBDRN COc1ccccc1[C@@H](C)SCCc1ccc([N+](=O)[O-])cc1 ZINC000463209257 339109463 /nfs/dbraw/zinc/10/94/63/339109463.db2.gz IDZJMLCJWQNDSQ-CYBMUJFWSA-N 0 0 317.410 4.640 20 5 DJBDRN COc1ccccc1[C@H](C)SCCc1ccc([N+](=O)[O-])cc1 ZINC000463209258 339109474 /nfs/dbraw/zinc/10/94/74/339109474.db2.gz IDZJMLCJWQNDSQ-ZDUSSCGKSA-N 0 0 317.410 4.640 20 5 DJBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2csc([N+](=O)[O-])c2)o1 ZINC000464835713 339156098 /nfs/dbraw/zinc/15/60/98/339156098.db2.gz RLTNFQWAWRNTGJ-RISCZKNCSA-N 0 0 320.414 4.531 20 5 DJBDRN CC[C@@]1(C)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000468259871 339257919 /nfs/dbraw/zinc/25/79/19/339257919.db2.gz IRQMTGYQDBOYET-NRFANRHFSA-N 0 0 318.420 4.650 20 5 DJBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc2nc(C)oc2c1 ZINC000469098461 339280108 /nfs/dbraw/zinc/28/01/08/339280108.db2.gz UOFMZNIZCVQGDH-XYOKQWHBSA-N 0 0 323.352 4.560 20 5 DJBDRN CSc1ccccc1CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000471026290 339334706 /nfs/dbraw/zinc/33/47/06/339334706.db2.gz VXVPWSOMQUWRKM-ZDUSSCGKSA-N 0 0 316.426 4.510 20 5 DJBDRN CC[C@@H](C)n1ncc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000477915165 339504294 /nfs/dbraw/zinc/50/42/94/339504294.db2.gz IGYVJJDOCAJKOE-CHWSQXEVSA-N 0 0 316.405 4.552 20 5 DJBDRN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000478427187 339515197 /nfs/dbraw/zinc/51/51/97/339515197.db2.gz MKFRMVSQZDCTIY-GHMZBOCLSA-N 0 0 322.767 4.799 20 5 DJBDRN CCOc1cc(OCc2ccc(C(F)F)cc2)ccc1[N+](=O)[O-] ZINC000478721403 339521159 /nfs/dbraw/zinc/52/11/59/339521159.db2.gz UBSUWSPYYFYIKR-UHFFFAOYSA-N 0 0 323.295 4.510 20 5 DJBDRN COCCCC[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000480557760 339577417 /nfs/dbraw/zinc/57/74/17/339577417.db2.gz XEDRTCDSBSSIHO-INIZCTEOSA-N 0 0 314.385 4.565 20 5 DJBDRN COCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000480574117 339578188 /nfs/dbraw/zinc/57/81/88/339578188.db2.gz CSMZHPNEMIPMPO-GOSISDBHSA-N 0 0 314.385 4.565 20 5 DJBDRN COc1ccccc1S[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000484494114 339687848 /nfs/dbraw/zinc/68/78/48/339687848.db2.gz XZYDJWGUIZJXNX-GFCCVEGCSA-N 0 0 303.383 4.765 20 5 DJBDRN CC(C)Oc1cc(F)ccc1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000484948507 339696433 /nfs/dbraw/zinc/69/64/33/339696433.db2.gz TUIQVWMQZOKHAD-GFCCVEGCSA-N 0 0 318.348 4.694 20 5 DJBDRN Cc1csc(CS[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000486077088 339720225 /nfs/dbraw/zinc/72/02/25/339720225.db2.gz PRLVSBQQPZETSA-NSHDSACASA-N 0 0 308.428 4.663 20 5 DJBDRN Cc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000488241528 339774168 /nfs/dbraw/zinc/77/41/68/339774168.db2.gz KRUQWDJBWIITNQ-QGZVFWFLSA-N 0 0 300.333 4.606 20 5 DJBDRN C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C ZINC000501626197 340085344 /nfs/dbraw/zinc/08/53/44/340085344.db2.gz IGBJTTYPWKEXCN-HUUCEWRRSA-N 0 0 318.420 4.506 20 5 DJBDRN O=C(Nc1cccc(-c2cccs2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000505856214 340179958 /nfs/dbraw/zinc/17/99/58/340179958.db2.gz UZRBOOQNYOYOOF-UHFFFAOYSA-N 0 0 324.361 4.576 20 5 DJBDRN CSc1cccc(C)c1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000506259375 340190244 /nfs/dbraw/zinc/19/02/44/340190244.db2.gz OUNHWMUZXDBVJB-UHFFFAOYSA-N 0 0 324.352 4.515 20 5 DJBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(Cl)s1 ZINC000506733412 340200364 /nfs/dbraw/zinc/20/03/64/340200364.db2.gz FGTCHCFAZCUBDK-JTQLQIEISA-N 0 0 310.806 4.503 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000301242731 340249981 /nfs/dbraw/zinc/24/99/81/340249981.db2.gz TUGFBBDBDTYZMF-JTQLQIEISA-N 0 0 310.275 4.787 20 5 DJBDRN CC(C)(C)c1nc(CSc2cccc([N+](=O)[O-])c2)cs1 ZINC000509083984 340260788 /nfs/dbraw/zinc/26/07/88/340260788.db2.gz PFCOQAFGBGTGJO-UHFFFAOYSA-N 0 0 308.428 4.641 20 5 DJBDRN CCCN(CCC)C(=O)c1cc2ccccc2c2cccnc12 ZINC000509529025 340272338 /nfs/dbraw/zinc/27/23/38/340272338.db2.gz LNUVQDNAEPICEL-UHFFFAOYSA-N 0 0 306.409 4.650 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2coc(-c3cccs3)n2)c1 ZINC000509667982 340276479 /nfs/dbraw/zinc/27/64/79/340276479.db2.gz VTEDPMHKLFRBJT-UHFFFAOYSA-N 0 0 318.379 4.604 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C=C/c1ccc2ccccc2n1 ZINC000303132990 340304189 /nfs/dbraw/zinc/30/41/89/340304189.db2.gz PQSUUGCLVCCXTK-GNCHRIMZSA-N 0 0 302.333 4.870 20 5 DJBDRN CC(=O)c1ccc(N[C@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000511455660 340327558 /nfs/dbraw/zinc/32/75/58/340327558.db2.gz SXNCJVSUMBDFJW-LJQANCHMSA-N 0 0 324.380 4.751 20 5 DJBDRN Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000511714467 340336046 /nfs/dbraw/zinc/33/60/46/340336046.db2.gz VJHFBQKJGJNAHH-MRXNPFEDSA-N 0 0 319.364 4.551 20 5 DJBDRN C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000173361769 340363239 /nfs/dbraw/zinc/36/32/39/340363239.db2.gz FBVFGPRKBKWHKZ-APPDUMDISA-N 0 0 316.788 4.586 20 5 DJBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000220300386 340515704 /nfs/dbraw/zinc/51/57/04/340515704.db2.gz MOJVAHIQIGLWOA-JTQLQIEISA-N 0 0 310.275 4.787 20 5 DJBDRN COc1ccccc1CSCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522549035 340603908 /nfs/dbraw/zinc/60/39/08/340603908.db2.gz WVVUFXNEPARBMB-UHFFFAOYSA-N 0 0 323.801 4.690 20 5 DJBDRN Cc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000522936111 340610638 /nfs/dbraw/zinc/61/06/38/340610638.db2.gz FNFXVOPSYATHKQ-HNNXBMFYSA-N 0 0 317.776 4.515 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1F ZINC000036971054 340723625 /nfs/dbraw/zinc/72/36/25/340723625.db2.gz CLNHEDWWZBIXRF-QMMMGPOBSA-N 0 0 312.703 4.700 20 5 DJBDRN C[C@H](Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000037176943 340769371 /nfs/dbraw/zinc/76/93/71/340769371.db2.gz RESXQFCCTPBPPE-JTQLQIEISA-N 0 0 321.174 4.530 20 5 DJBDRN CSc1cccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000538097540 340809137 /nfs/dbraw/zinc/80/91/37/340809137.db2.gz NKIBNRBLFUDWNH-LBPRGKRZSA-N 0 0 302.399 4.798 20 5 DJBDRN CCSc1cccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000538628478 340835857 /nfs/dbraw/zinc/83/58/57/340835857.db2.gz RAIOUKUPZHKRBS-GFCCVEGCSA-N 0 0 302.399 4.880 20 5 DJBDRN CSc1ccc(C)c(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000539681712 340895743 /nfs/dbraw/zinc/89/57/43/340895743.db2.gz RPEKJAGWRVWHSV-LBPRGKRZSA-N 0 0 302.399 4.798 20 5 DJBDRN Cc1cc(C)c([N+](=O)[O-])c(Oc2cc(Cl)ccc2Cl)n1 ZINC000541936433 340990342 /nfs/dbraw/zinc/99/03/42/340990342.db2.gz XEIUKRYIZFXHPA-UHFFFAOYSA-N 0 0 313.140 4.706 20 5 DJBDRN C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000131318107 341075581 /nfs/dbraw/zinc/07/55/81/341075581.db2.gz FABWIVQAPCJPIU-NSHDSACASA-N 0 0 320.414 4.875 20 5 DJBDRN O=[N+]([O-])c1ccccc1CNc1cccc(C(F)F)c1Cl ZINC000544595973 341087820 /nfs/dbraw/zinc/08/78/20/341087820.db2.gz NGIAONHPOFUIHF-UHFFFAOYSA-N 0 0 312.703 4.798 20 5 DJBDRN CCCCS[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000544784713 341093780 /nfs/dbraw/zinc/09/37/80/341093780.db2.gz GWHRBPFCMXSIRR-LLVKDONJSA-N 0 0 321.402 4.548 20 5 DJBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2C)no1 ZINC000546260527 341160196 /nfs/dbraw/zinc/16/01/96/341160196.db2.gz ODXCCOXUUCUVDI-ACCUITESSA-N 0 0 321.336 4.514 20 5 DJBDRN CCCCS[C@@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000546987833 341190128 /nfs/dbraw/zinc/19/01/28/341190128.db2.gz ILDCBPVKYAXPJW-NSHDSACASA-N 0 0 321.402 4.548 20 5 DJBDRN CCC(CC)c1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000547089014 341195371 /nfs/dbraw/zinc/19/53/71/341195371.db2.gz GVQYFIANIUODDY-JTQLQIEISA-N 0 0 321.402 4.735 20 5 DJBDRN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000078970814 341250805 /nfs/dbraw/zinc/25/08/05/341250805.db2.gz VHPPAMYMPXZVLE-NEPJUHHUSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(Cl)cc1F ZINC000548635780 341268231 /nfs/dbraw/zinc/26/82/31/341268231.db2.gz VOSGPXPIBYTRBK-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN COc1ccc([N+](=O)[O-])cc1CSc1ccc(Cl)cc1 ZINC000248141501 341373934 /nfs/dbraw/zinc/37/39/34/341373934.db2.gz PYUOWUCXOHAVCE-UHFFFAOYSA-N 0 0 309.774 4.549 20 5 DJBDRN COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C(C)(C)C ZINC000248153193 341374105 /nfs/dbraw/zinc/37/41/05/341374105.db2.gz XNGWMCUMBVYKRN-UHFFFAOYSA-N 0 0 314.385 4.513 20 5 DJBDRN COc1ccc(CSC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000552480729 341395523 /nfs/dbraw/zinc/39/55/23/341395523.db2.gz CQXCAPBIYXFJLZ-YVMONPNESA-N 0 0 315.394 4.550 20 5 DJBDRN Cc1c([C@H](C)N[C@@H](C)c2cccc(F)c2F)cccc1[N+](=O)[O-] ZINC000090963321 341420810 /nfs/dbraw/zinc/42/08/10/341420810.db2.gz YPBKXSFCTRJLQH-RYUDHWBXSA-N 0 0 320.339 4.593 20 5 DJBDRN CC(C)c1nc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000266778969 519867509 /nfs/dbraw/zinc/86/75/09/519867509.db2.gz MHQGHPDJFRWCDZ-NEPJUHHUSA-N 0 0 319.430 4.587 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C\c1nc2cc(Cl)ccc2o1 ZINC000213623290 201447026 /nfs/dbraw/zinc/44/70/26/201447026.db2.gz KQTYWGYZYKFSNI-YVMONPNESA-N 0 0 300.701 4.560 20 5 DJBDRN CC(=O)c1ccc(N[C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000008054107 181523193 /nfs/dbraw/zinc/52/31/93/181523193.db2.gz HZPGVEPJOFUUTL-JTQLQIEISA-N 0 0 318.760 4.624 20 5 DJBDRN CC(=O)c1ccc(Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000008147613 181530357 /nfs/dbraw/zinc/53/03/57/181530357.db2.gz UJTWSMJCPUIIIU-UHFFFAOYSA-N 0 0 307.305 4.743 20 5 DJBDRN Cc1ccc2cccc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2n1 ZINC000320437970 335016583 /nfs/dbraw/zinc/01/65/83/335016583.db2.gz BRSKMGCVWAMZSA-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000023745285 182367551 /nfs/dbraw/zinc/36/75/51/182367551.db2.gz GCAFJLHTWFPGLU-JTQLQIEISA-N 0 0 321.174 4.530 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC1CCCC1 ZINC000570857953 332830840 /nfs/dbraw/zinc/83/08/40/332830840.db2.gz RHVBOEUIKYINGQ-UHFFFAOYSA-N 0 0 304.390 4.511 20 5 DJBDRN COc1cccc(F)c1[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000317394713 331763269 /nfs/dbraw/zinc/76/32/69/331763269.db2.gz LCMWFRTXKDGUMW-SECBINFHSA-N 0 0 324.739 4.569 20 5 DJBDRN COc1ccc(CS[C@@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000517939690 331979289 /nfs/dbraw/zinc/97/92/89/331979289.db2.gz KIDPBNHXCHQASQ-NSHDSACASA-N 0 0 321.373 4.737 20 5 DJBDRN C[C@@H](SCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517960950 331980787 /nfs/dbraw/zinc/98/07/87/331980787.db2.gz JYSUOFMINNNEEJ-GFCCVEGCSA-N 0 0 321.373 4.607 20 5 DJBDRN Cc1ccnc(Oc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000518506808 332070486 /nfs/dbraw/zinc/07/04/86/332070486.db2.gz YSGLMIJKNBSTTD-UHFFFAOYSA-N 0 0 322.320 4.883 20 5 DJBDRN C/C=C\c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000569524529 332124647 /nfs/dbraw/zinc/12/46/47/332124647.db2.gz PKRQUQHPXDDWFK-PLNGDYQASA-N 0 0 324.380 4.544 20 5 DJBDRN Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1-c1ccncc1 ZINC000427424236 332424022 /nfs/dbraw/zinc/42/40/22/332424022.db2.gz LHYPQGVWHLFSDW-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN Cc1cnc([C@@H](C)S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000427682932 332485766 /nfs/dbraw/zinc/48/57/66/332485766.db2.gz PGYQQANAQJEBCZ-QWHCGFSZSA-N 0 0 317.414 4.557 20 5 DJBDRN Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1C1CC1 ZINC000562301307 332571380 /nfs/dbraw/zinc/57/13/80/332571380.db2.gz LHPAIKJCOHFJOP-ZDUSSCGKSA-N 0 0 324.380 4.523 20 5 DJBDRN Cc1c(CN[C@@H](C)c2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC000181752642 333031959 /nfs/dbraw/zinc/03/19/59/333031959.db2.gz UFVCRWYVILPOBW-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN CSCc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000183109361 333183068 /nfs/dbraw/zinc/18/30/68/333183068.db2.gz ZOQRPMIUXMZREQ-LBPRGKRZSA-N 0 0 302.399 4.631 20 5 DJBDRN CC(C)Oc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000390703539 333316559 /nfs/dbraw/zinc/31/65/59/333316559.db2.gz FNDAYFUFHJYWIC-GFCCVEGCSA-N 0 0 318.348 4.694 20 5 DJBDRN Cc1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2cccnc12 ZINC000320111619 333425619 /nfs/dbraw/zinc/42/56/19/333425619.db2.gz WVRFOGKCUPOWJJ-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN O=[N+]([O-])c1ccc(SCc2cc(F)cc3cccnc32)cc1 ZINC000340451996 334206110 /nfs/dbraw/zinc/20/61/10/334206110.db2.gz OHQHAQARWASGSA-UHFFFAOYSA-N 0 0 314.341 4.574 20 5 DJBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000048805705 334298603 /nfs/dbraw/zinc/29/86/03/334298603.db2.gz LLOJZPRSDTZMJO-UHFFFAOYSA-N 0 0 316.304 4.596 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1c(F)cccc1Cl ZINC000531949657 334303813 /nfs/dbraw/zinc/30/38/13/334303813.db2.gz QNLXBXAUTAIQOQ-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2nc3ccccc3s2)cc1Cl ZINC000049320644 334750627 /nfs/dbraw/zinc/75/06/27/334750627.db2.gz XPZPZNMQQWPVNB-UHFFFAOYSA-N 0 0 306.730 4.650 20 5 DJBDRN O=[N+]([O-])c1c(N[C@@H]2CCCc3ccccc32)ccc2ncccc21 ZINC000324367154 336199328 /nfs/dbraw/zinc/19/93/28/336199328.db2.gz SLXZHDIMGYFBON-QGZVFWFLSA-N 0 0 319.364 4.633 20 5 DJBDRN CC[C@@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000532587756 336256605 /nfs/dbraw/zinc/25/66/05/336256605.db2.gz WYMFAVMBVAOAAV-CYBMUJFWSA-N 0 0 310.325 4.511 20 5 DJBDRN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000301074042 336288520 /nfs/dbraw/zinc/28/85/20/336288520.db2.gz GDXAMTYAFQSRQC-JTQLQIEISA-N 0 0 300.289 4.653 20 5 DJBDRN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000301165052 336292824 /nfs/dbraw/zinc/29/28/24/336292824.db2.gz BWYJZNZBYRKRPJ-SECBINFHSA-N 0 0 323.393 4.661 20 5 DJBDRN CC[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000301175867 336293356 /nfs/dbraw/zinc/29/33/56/336293356.db2.gz GIESDIBGSJNILM-SNVBAGLBSA-N 0 0 311.794 4.576 20 5 DJBDRN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000301181269 336293656 /nfs/dbraw/zinc/29/36/56/336293656.db2.gz HZHBFYHWNVMNNC-VIFPVBQESA-N 0 0 323.393 4.661 20 5 DJBDRN Cc1c2ccccc2oc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000301194382 336294255 /nfs/dbraw/zinc/29/42/55/336294255.db2.gz NLUYNTHUUWIFSO-LBPRGKRZSA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1cc(N[C@@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000301196261 336294365 /nfs/dbraw/zinc/29/43/65/336294365.db2.gz OCGRDZFKOXFVGF-NSHDSACASA-N 0 0 319.430 4.830 20 5 DJBDRN CC(C)Sc1ccc([C@H](C)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000301208112 336294958 /nfs/dbraw/zinc/29/49/58/336294958.db2.gz SORKKMVYQQRWFU-LBPRGKRZSA-N 0 0 317.414 4.663 20 5 DJBDRN Cc1cc(N[C@@H](C)c2cc3ccccc3s2)ncc1[N+](=O)[O-] ZINC000301437169 336306697 /nfs/dbraw/zinc/30/66/97/336306697.db2.gz MXRWNOXOBIZSEY-NSHDSACASA-N 0 0 313.382 4.686 20 5 DJBDRN Cc1cnc([C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000301581458 336316247 /nfs/dbraw/zinc/31/62/47/336316247.db2.gz NSYFHRRRKNWOIV-ZDUSSCGKSA-N 0 0 323.805 4.576 20 5 DJBDRN Cc1nc(N[C@@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000301625019 336319005 /nfs/dbraw/zinc/31/90/05/336319005.db2.gz GUQRPJLXQIKGED-LBPRGKRZSA-N 0 0 307.353 4.625 20 5 DJBDRN Cc1c2ccccc2oc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000301670535 336322332 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CSc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000515337708 337986009 /nfs/dbraw/zinc/98/60/09/337986009.db2.gz MVHOJYQLDMQGKU-UHFFFAOYSA-N 0 0 311.366 4.609 20 5 DJBDRN CCC(CC)n1ccc(CSCc2cccc([N+](=O)[O-])c2)n1 ZINC000433641575 338199090 /nfs/dbraw/zinc/19/90/90/338199090.db2.gz GRWINDIGVYSKGC-UHFFFAOYSA-N 0 0 319.430 4.586 20 5 DJBDRN Cc1c(COc2cnccc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000434729078 338224085 /nfs/dbraw/zinc/22/40/85/338224085.db2.gz LDVNZSSCJRSCST-UHFFFAOYSA-N 0 0 320.348 4.544 20 5 DJBDRN C[C@H](c1ccco1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000440901475 338399694 /nfs/dbraw/zinc/39/96/94/338399694.db2.gz MQNATKDMEYRUFT-LLVKDONJSA-N 0 0 320.776 4.567 20 5 DJBDRN Cc1c(CNc2ccccc2OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000462222279 339074572 /nfs/dbraw/zinc/07/45/72/339074572.db2.gz FPCFPCGFNKZVBN-UHFFFAOYSA-N 0 0 314.385 4.693 20 5 DJBDRN Cc1c(CNc2ccccc2OCC(C)C)cccc1[N+](=O)[O-] ZINC000462223977 339074581 /nfs/dbraw/zinc/07/45/81/339074581.db2.gz JMQLORVLGNWFJE-UHFFFAOYSA-N 0 0 314.385 4.550 20 5 DJBDRN COc1ccccc1[C@@H](C)SCc1cccc([N+](=O)[O-])c1 ZINC000463206898 339109356 /nfs/dbraw/zinc/10/93/56/339109356.db2.gz QQUAPAKPCRZSDE-GFCCVEGCSA-N 0 0 303.383 4.598 20 5 DJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCC1CCCC1 ZINC000463227885 339110479 /nfs/dbraw/zinc/11/04/79/339110479.db2.gz HLDJPVAHOFSUME-UHFFFAOYSA-N 0 0 304.390 4.511 20 5 DJBDRN COc1cccc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000463251712 339112120 /nfs/dbraw/zinc/11/21/20/339112120.db2.gz YFRYERCNTPZXMN-LBPRGKRZSA-N 0 0 303.383 4.598 20 5 DJBDRN CN(C(=O)c1ccc(C2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000463286021 339113379 /nfs/dbraw/zinc/11/33/79/339113379.db2.gz JZLPPIOKADUVJE-UHFFFAOYSA-N 0 0 324.380 4.529 20 5 DJBDRN Cc1cc(Oc2ccc(Cl)c3ccccc23)ncc1[N+](=O)[O-] ZINC000470867735 339329541 /nfs/dbraw/zinc/32/95/41/339329541.db2.gz YPYDUKVCEDGIOD-UHFFFAOYSA-N 0 0 314.728 4.897 20 5 DJBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1ccc(Cl)s1 ZINC000471063420 339336326 /nfs/dbraw/zinc/33/63/26/339336326.db2.gz PXRLHJPAHAAVDF-SECBINFHSA-N 0 0 311.794 4.576 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1coc2cc(C)c(C)cc12 ZINC000472212486 339366131 /nfs/dbraw/zinc/36/61/31/339366131.db2.gz DVRRNOWIZVHKSB-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN Cc1oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)cc2c1C ZINC000477925503 339504941 /nfs/dbraw/zinc/50/49/41/339504941.db2.gz CNFOAYITWIXKPH-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN CCC(CC)N(CC(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000483848803 339676358 /nfs/dbraw/zinc/67/63/58/339676358.db2.gz GXEXIVMNDVHOAD-UHFFFAOYSA-N 0 0 321.421 4.582 20 5 DJBDRN CCC(CC)N(CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000483861940 339677031 /nfs/dbraw/zinc/67/70/31/339677031.db2.gz QALPEYJBEMQKAG-UHFFFAOYSA-N 0 0 321.421 4.582 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SC[C@@H](C)C(F)(F)F ZINC000486168182 339722665 /nfs/dbraw/zinc/72/26/65/339722665.db2.gz DPZVRXYPGGLCHT-NXEZZACHSA-N 0 0 307.337 4.896 20 5 DJBDRN CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000494989715 339969042 /nfs/dbraw/zinc/96/90/42/339969042.db2.gz UWQMXCHWVBCHJQ-MLGOLLRUSA-N 0 0 302.349 4.536 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(C(C)C)cc1 ZINC000502589690 340108488 /nfs/dbraw/zinc/10/84/88/340108488.db2.gz UVRBPPIIUUIFQH-UHFFFAOYSA-N 0 0 313.357 4.671 20 5 DJBDRN O=[N+]([O-])c1cccc(F)c1COc1cccc(Cl)c1Cl ZINC000504529590 340148769 /nfs/dbraw/zinc/14/87/69/340148769.db2.gz GOQLGZHTAYCZQZ-UHFFFAOYSA-N 0 0 316.115 4.620 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000506112055 340185864 /nfs/dbraw/zinc/18/58/64/340185864.db2.gz GJLYNYHLMXJHEP-SEJWUHKESA-N 0 0 314.410 4.507 20 5 DJBDRN Cc1ncsc1CCS[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000507103219 340207496 /nfs/dbraw/zinc/20/74/96/340207496.db2.gz LJHQXACYXMWYEB-GFCCVEGCSA-N 0 0 322.455 4.705 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C=C\c1ccc2cccc(O)c2n1 ZINC000508598725 340247350 /nfs/dbraw/zinc/24/73/50/340247350.db2.gz NTGKXBFSSQKSGJ-TWFXYNTASA-N 0 0 318.332 4.575 20 5 DJBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1c(F)cccc1Cl ZINC000508812571 340253477 /nfs/dbraw/zinc/25/34/77/340253477.db2.gz OHEKBYSDMUMFEU-LLVKDONJSA-N 0 0 322.767 4.580 20 5 DJBDRN C[C@H](Sc1cccc([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 ZINC000509670321 340276380 /nfs/dbraw/zinc/27/63/80/340276380.db2.gz YYEMIGVIZDVGFW-JTQLQIEISA-N 0 0 306.387 4.734 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CC1(C)CCCCC1 ZINC000509884506 340282075 /nfs/dbraw/zinc/28/20/75/340282075.db2.gz VTRJDTQYUGEPEJ-UHFFFAOYSA-N 0 0 304.390 4.511 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2ccccc2Cc2ccccc2)c1 ZINC000302833720 340283313 /nfs/dbraw/zinc/28/33/13/340283313.db2.gz PYRFKPRFSXYJDO-UHFFFAOYSA-N 0 0 318.376 4.798 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000302834396 340283380 /nfs/dbraw/zinc/28/33/80/340283380.db2.gz UGCZAFBIVALBTF-UHFFFAOYSA-N 0 0 316.360 4.778 20 5 DJBDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000173361784 340363329 /nfs/dbraw/zinc/36/33/29/340363329.db2.gz 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Cc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000037365416 340785165 /nfs/dbraw/zinc/78/51/65/340785165.db2.gz HCPUZWRLBGRQFY-UHFFFAOYSA-N 0 0 316.304 4.596 20 5 DJBDRN Cc1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000538553793 340832914 /nfs/dbraw/zinc/83/29/14/340832914.db2.gz LDWBXYQHWKLEBQ-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN C[C@H](CSCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000543860993 341061929 /nfs/dbraw/zinc/06/19/29/341061929.db2.gz ZXHXEEFATGMBFI-SSDOTTSWSA-N 0 0 313.728 4.680 20 5 DJBDRN CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)s1 ZINC000544452735 341082780 /nfs/dbraw/zinc/08/27/80/341082780.db2.gz XXODCULJJADSOJ-LBPRGKRZSA-N 0 0 324.833 4.859 20 5 DJBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H](C)C(C)(C)C)no1 ZINC000544959501 341101378 /nfs/dbraw/zinc/10/13/78/341101378.db2.gz LMNZUSIQOLNEBC-IIANPFDCSA-N 0 0 315.373 4.688 20 5 DJBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000544959500 341101385 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ZINC000227649125 525730184 /nfs/dbraw/zinc/73/01/84/525730184.db2.gz VWQVXXJHVNPGGU-ZCFIWIBFSA-N 0 0 318.185 4.531 20 5 DJBDRN CC(C)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013789310 181897187 /nfs/dbraw/zinc/89/71/87/181897187.db2.gz BZQSZTVRXPEASP-UHFFFAOYSA-N 0 0 315.398 4.527 20 5 DJBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000025844599 182423887 /nfs/dbraw/zinc/42/38/87/182423887.db2.gz FWAJJLUHYPGNSV-SNVBAGLBSA-N 0 0 321.174 4.530 20 5 DJBDRN CCCCC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000040037799 183029304 /nfs/dbraw/zinc/02/93/04/183029304.db2.gz AVOALWDOXXQDIS-UHFFFAOYSA-N 0 0 318.417 4.838 20 5 DJBDRN O=[N+]([O-])c1ccccc1CSc1nc2cc(Cl)ccc2o1 ZINC000061419993 184170985 /nfs/dbraw/zinc/17/09/85/184170985.db2.gz KOYMNIIDHCEDJK-UHFFFAOYSA-N 0 0 320.757 4.682 20 5 DJBDRN Cc1cc(N[C@@H]2CCSc3ccccc32)ccc1[N+](=O)[O-] ZINC000042247768 132150838 /nfs/dbraw/zinc/15/08/38/132150838.db2.gz JRVCZRNEWQPPII-CQSZACIVSA-N 0 0 300.383 4.552 20 5 DJBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000320597210 335090390 /nfs/dbraw/zinc/09/03/90/335090390.db2.gz CSAPNXWIPOZNCM-INIZCTEOSA-N 0 0 307.353 4.706 20 5 DJBDRN COc1cccc(F)c1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000317401006 331765891 /nfs/dbraw/zinc/76/58/91/331765891.db2.gz LVSADZBQFORMCQ-SECBINFHSA-N 0 0 324.739 4.569 20 5 DJBDRN CN(CC1CCCC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000521178876 331974772 /nfs/dbraw/zinc/97/47/72/331974772.db2.gz MEPSUUGFYWQQLL-UHFFFAOYSA-N 0 0 318.420 4.650 20 5 DJBDRN Cc1cc(C)c([C@@H](C)Sc2ncccc2[N+](=O)[O-])c(C)c1 ZINC000520088116 332122374 /nfs/dbraw/zinc/12/23/74/332122374.db2.gz ZMGPDLQEQYMQTL-CYBMUJFWSA-N 0 0 302.399 4.768 20 5 DJBDRN C/C=C/c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000569524534 332124593 /nfs/dbraw/zinc/12/45/93/332124593.db2.gz PKRQUQHPXDDWFK-SNAWJCMRSA-N 0 0 324.380 4.544 20 5 DJBDRN CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000426905090 332161313 /nfs/dbraw/zinc/16/13/13/332161313.db2.gz NIEDBWLSBUOQEY-SECBINFHSA-N 0 0 311.794 4.576 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000215859002 332206597 /nfs/dbraw/zinc/20/65/97/332206597.db2.gz AGKOYVOSQATAIS-JTQLQIEISA-N 0 0 310.275 4.787 20 5 DJBDRN Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1-c1ccncc1 ZINC000427425084 332424108 /nfs/dbraw/zinc/42/41/08/332424108.db2.gz SWPMWIWEQDBVGM-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN Cc1cnc([C@@H](C)S[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000427682930 332485892 /nfs/dbraw/zinc/48/58/92/332485892.db2.gz PGYQQANAQJEBCZ-CHWSQXEVSA-N 0 0 317.414 4.557 20 5 DJBDRN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)c(C)o1 ZINC000301088349 332969917 /nfs/dbraw/zinc/96/99/17/332969917.db2.gz FFQOPNRJAAUSSX-LLVKDONJSA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1c(CN[C@@H](C)c2ccc(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000183793329 333063393 /nfs/dbraw/zinc/06/33/93/333063393.db2.gz IICJUXUKUBJYDK-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN COc1cc(Cl)c(C)cc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000314414009 333110389 /nfs/dbraw/zinc/11/03/89/333110389.db2.gz WMEZKCHWSCKCRY-NSHDSACASA-N 0 0 320.776 4.738 20 5 DJBDRN Cc1cnc(Oc2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000463053667 333144928 /nfs/dbraw/zinc/14/49/28/333144928.db2.gz NWXCEGAWHOCJCC-UHFFFAOYSA-N 0 0 322.320 4.883 20 5 DJBDRN Cc1ccc([C@H](C)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000390330035 333267949 /nfs/dbraw/zinc/26/79/49/333267949.db2.gz ZLWPWCJICDMPBY-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000323887722 335646033 /nfs/dbraw/zinc/64/60/33/335646033.db2.gz WAFDOVOEHPNNRR-UHFFFAOYSA-N 0 0 316.360 4.778 20 5 DJBDRN C[C@@H](SCCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000520676489 336010962 /nfs/dbraw/zinc/01/09/62/336010962.db2.gz OTILGSPGOWADHI-GFCCVEGCSA-N 0 0 321.373 4.607 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc2ccn(C)c2c1 ZINC000526948908 336275711 /nfs/dbraw/zinc/27/57/11/336275711.db2.gz DMBTZSQITUYZFY-CYBMUJFWSA-N 0 0 309.369 4.568 20 5 DJBDRN CO[C@H](C)c1cccc(Nc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000301169461 336293111 /nfs/dbraw/zinc/29/31/11/336293111.db2.gz WJLZAIRPXYSEQZ-GFCCVEGCSA-N 0 0 323.352 4.594 20 5 DJBDRN CO[C@@H](C)c1cccc(Nc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000301169463 336293164 /nfs/dbraw/zinc/29/31/64/336293164.db2.gz WJLZAIRPXYSEQZ-LBPRGKRZSA-N 0 0 323.352 4.594 20 5 DJBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000301414696 336305268 /nfs/dbraw/zinc/30/52/68/336305268.db2.gz BEFNYHBBJQYYJL-AWEZNQCLSA-N 0 0 319.364 4.830 20 5 DJBDRN COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1cccc(C)c1C ZINC000301478698 336309389 /nfs/dbraw/zinc/30/93/89/336309389.db2.gz QLTVIPGEQTZGQK-AWEZNQCLSA-N 0 0 314.385 4.531 20 5 DJBDRN Cc1cc(N[C@H](CC(C)C)c2cccs2)ncc1[N+](=O)[O-] ZINC000301517249 336311894 /nfs/dbraw/zinc/31/18/94/336311894.db2.gz CDJRWLCKHCLRMA-GFCCVEGCSA-N 0 0 305.403 4.559 20 5 DJBDRN Cc1nc(N[C@H](C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000301669474 336322302 /nfs/dbraw/zinc/32/23/02/336322302.db2.gz 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ZINC000023380742 337149210 /nfs/dbraw/zinc/14/92/10/337149210.db2.gz WLJGYACJBBQIBB-AWEZNQCLSA-N 0 0 321.380 4.576 20 5 DJBDRN Cc1cc(N[C@H](C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000321270150 337254503 /nfs/dbraw/zinc/25/45/03/337254503.db2.gz GNSANMDJYUWYNR-CQSZACIVSA-N 0 0 314.385 4.864 20 5 DJBDRN CC(C)c1nnc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000419543108 337488516 /nfs/dbraw/zinc/48/85/16/337488516.db2.gz TXIVARCPVCACSS-JTQLQIEISA-N 0 0 323.443 4.564 20 5 DJBDRN CC(C)c1nnc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000419545476 337488608 /nfs/dbraw/zinc/48/86/08/337488608.db2.gz WWJOIHMGOPPCCQ-SNVBAGLBSA-N 0 0 323.443 4.564 20 5 DJBDRN Cc1ccc([C@H](C)Nc2cccc3ccncc32)cc1[N+](=O)[O-] ZINC000321773107 337661930 /nfs/dbraw/zinc/66/19/30/337661930.db2.gz PXOHRBACYYOEGO-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN Cc1c(CNc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000035648700 337744072 /nfs/dbraw/zinc/74/40/72/337744072.db2.gz MFXHMQFGLHOBHP-UHFFFAOYSA-N 0 0 311.168 4.822 20 5 DJBDRN CC(C)Oc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000315256742 337983527 /nfs/dbraw/zinc/98/35/27/337983527.db2.gz WPPOAWKMLNFQDN-CYBMUJFWSA-N 0 0 300.358 4.555 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@H]2CSc3ccccc32)c(Cl)c1 ZINC000083748549 337997156 /nfs/dbraw/zinc/99/71/56/337997156.db2.gz HMRMJPKGDUZMKC-ZDUSSCGKSA-N 0 0 306.774 4.507 20 5 DJBDRN Cc1ccc2oc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cc2c1 ZINC000516414005 338012490 /nfs/dbraw/zinc/01/24/90/338012490.db2.gz FSYDNSTYNXICER-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C(C)C)cc1 ZINC000086167570 338014551 /nfs/dbraw/zinc/01/45/51/338014551.db2.gz PYNLUMGMBCWTQO-UHFFFAOYSA-N 0 0 312.369 4.587 20 5 DJBDRN Cc1cnc(Oc2ccc(C3CC3)cc2Cl)c([N+](=O)[O-])c1 ZINC000432177323 338147936 /nfs/dbraw/zinc/14/79/36/338147936.db2.gz IPIAZRUEZGSEAW-UHFFFAOYSA-N 0 0 304.733 4.621 20 5 DJBDRN Cc1nc(C)c(CS[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000437435947 338310053 /nfs/dbraw/zinc/31/00/53/338310053.db2.gz ZMPDNPMUXKBFIS-JTQLQIEISA-N 0 0 308.428 4.663 20 5 DJBDRN Cc1ccc(-c2nc(/C=C/c3ccc([N+](=O)[O-])cn3)cs2)cc1 ZINC000439508983 338372164 /nfs/dbraw/zinc/37/21/64/338372164.db2.gz DOAYDZSPDUMGSA-VOTSOKGWSA-N 0 0 323.377 4.592 20 5 DJBDRN O=[N+]([O-])c1cccc2nc(/C=C\c3scnc3C3CC3)ccc21 ZINC000447358937 338550580 /nfs/dbraw/zinc/55/05/80/338550580.db2.gz JVHJAYOLXVEGHM-CLFYSBASSA-N 0 0 323.377 4.647 20 5 DJBDRN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1F ZINC000451102768 338721193 /nfs/dbraw/zinc/72/11/93/338721193.db2.gz KYBBYQHASXLLOR-WDEREUQCSA-N 0 0 322.767 4.799 20 5 DJBDRN C[C@H](Nc1ccccc1C(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000453302849 338821240 /nfs/dbraw/zinc/82/12/40/338821240.db2.gz ZJHDJRDJTLRXRO-NSHDSACASA-N 0 0 306.312 4.880 20 5 DJBDRN CSc1ccc(Cl)cc1NCc1cccc([N+](=O)[O-])c1C ZINC000462238534 339074904 /nfs/dbraw/zinc/07/49/04/339074904.db2.gz WSSMMVRGPXERGK-UHFFFAOYSA-N 0 0 322.817 4.891 20 5 DJBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1 ZINC000462389890 339077827 /nfs/dbraw/zinc/07/78/27/339077827.db2.gz PDDDTOSECADHHR-ZDUSSCGKSA-N 0 0 322.311 4.759 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2ccc(CNc3ccccc3)s2)cc1 ZINC000462677554 339083866 /nfs/dbraw/zinc/08/38/66/339083866.db2.gz PVHJLAIRMHVPHF-UHFFFAOYSA-N 0 0 310.378 4.935 20 5 DJBDRN CCC(CC)c1cc(CNc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000462901646 339096882 /nfs/dbraw/zinc/09/68/82/339096882.db2.gz ILGQVDKSLGRUSY-UHFFFAOYSA-N 0 0 323.780 4.752 20 5 DJBDRN COc1ccccc1[C@H](C)Sc1ccc([N+](=O)[O-])cc1F ZINC000463066958 339103882 /nfs/dbraw/zinc/10/38/82/339103882.db2.gz BYYKIEIFUBRGGD-JTQLQIEISA-N 0 0 307.346 4.596 20 5 DJBDRN COc1ccccc1[C@@H](C)SCc1cccc([N+](=O)[O-])c1C ZINC000463209665 339109736 /nfs/dbraw/zinc/10/97/36/339109736.db2.gz KYPSFHYBOLDOGI-CYBMUJFWSA-N 0 0 317.410 4.906 20 5 DJBDRN Cc1ccc(NC(=O)c2cc3cc(C)c(C)cc3o2)cc1[N+](=O)[O-] ZINC000463241776 339111332 /nfs/dbraw/zinc/11/13/32/339111332.db2.gz DOPDHILNWGTDQG-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN Cc1cc(N[C@H](c2ccccc2Cl)C(C)C)ncc1[N+](=O)[O-] ZINC000470866767 339329524 /nfs/dbraw/zinc/32/95/24/339329524.db2.gz YGZJQKDIJXIGNK-INIZCTEOSA-N 0 0 319.792 4.761 20 5 DJBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ccc(Cl)cc1 ZINC000471249690 339341169 /nfs/dbraw/zinc/34/11/69/339341169.db2.gz IXQMICUEEAFOIR-LLVKDONJSA-N 0 0 323.755 4.533 20 5 DJBDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2ccncc2)cc1 ZINC000474150427 339404636 /nfs/dbraw/zinc/40/46/36/339404636.db2.gz NPGSKHKOCUZAFK-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN O=[N+]([O-])c1ccc(CSc2cccc3cccnc32)c(F)c1 ZINC000476484498 339477380 /nfs/dbraw/zinc/47/73/80/339477380.db2.gz NZULIYPJCPMPTA-UHFFFAOYSA-N 0 0 314.341 4.574 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ncc(C(C)C)n1C ZINC000484692677 339692292 /nfs/dbraw/zinc/69/22/92/339692292.db2.gz COSYFFABUXENLV-LBPRGKRZSA-N 0 0 319.430 4.613 20 5 DJBDRN CC[C@@H](C)CN(CC)C(=O)c1cc2ccccc2c2cccnc12 ZINC000490883931 339842768 /nfs/dbraw/zinc/84/27/68/339842768.db2.gz DAOUVNUIMLSXJG-OAHLLOKOSA-N 0 0 320.436 4.896 20 5 DJBDRN O=[N+]([O-])c1cccc(F)c1CSc1cccc2cccnc21 ZINC000501148761 340075075 /nfs/dbraw/zinc/07/50/75/340075075.db2.gz IOXMALHFIYTHGD-UHFFFAOYSA-N 0 0 314.341 4.574 20 5 DJBDRN CC(C)(C)c1ccc(-c2nc(C3CCCC3)no2)cc1[N+](=O)[O-] ZINC000505083833 340160961 /nfs/dbraw/zinc/16/09/61/340160961.db2.gz NUYYDTGWURKCHL-UHFFFAOYSA-N 0 0 315.373 4.600 20 5 DJBDRN C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CCCC1 ZINC000505134847 340162384 /nfs/dbraw/zinc/16/23/84/340162384.db2.gz KMYKQNAAJCXAKE-CQSZACIVSA-N 0 0 318.420 4.697 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2cccc(NCCCCF)c2)cc1 ZINC000506308505 340191860 /nfs/dbraw/zinc/19/18/60/340191860.db2.gz KACSBXKWENEZLR-UHFFFAOYSA-N 0 0 304.321 4.549 20 5 DJBDRN CCc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000301607467 340256255 /nfs/dbraw/zinc/25/62/55/340256255.db2.gz YIXXRQLJKZOGIQ-ZDUSSCGKSA-N 0 0 321.380 4.879 20 5 DJBDRN Cc1ccc(/C=C/CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000086624547 340266704 /nfs/dbraw/zinc/26/67/04/340266704.db2.gz RYKLJIWTXGMEAS-SNAWJCMRSA-N 0 0 324.380 4.562 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2coc(-c3ccccc3)n2)c1 ZINC000509655616 340275947 /nfs/dbraw/zinc/27/59/47/340275947.db2.gz STLAHMNCZSRGBC-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2ccccc2-c2ccccc2)c1 ZINC000302834989 340283411 /nfs/dbraw/zinc/28/34/11/340283411.db2.gz YPIPFXRDBSDJMR-UHFFFAOYSA-N 0 0 304.349 4.874 20 5 DJBDRN Cc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])c3cnccc32)cc1 ZINC000303545380 340332547 /nfs/dbraw/zinc/33/25/47/340332547.db2.gz IPCILTGOCXSAKP-CQSZACIVSA-N 0 0 321.380 4.649 20 5 DJBDRN Cc1ccc2c(c1)CC[C@@H]2Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000511710966 340335911 /nfs/dbraw/zinc/33/59/11/340335911.db2.gz BOOUXBZRGYKPOM-KRWDZBQOSA-N 0 0 319.364 4.551 20 5 DJBDRN Cc1cc2cc(Nc3ccc([N+](=O)[O-])c4cnccc34)ccc2[nH]1 ZINC000513103198 340393414 /nfs/dbraw/zinc/39/34/14/340393414.db2.gz RUSMNAFKOFBDAK-UHFFFAOYSA-N 0 0 318.336 4.676 20 5 DJBDRN COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2F)C(C)C)cc1 ZINC000513108602 340393594 /nfs/dbraw/zinc/39/35/94/340393594.db2.gz QGNDNWWJKJVRCN-KRWDZBQOSA-N 0 0 318.348 4.552 20 5 DJBDRN O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cnccc3s2)o1 ZINC000513868056 340429574 /nfs/dbraw/zinc/42/95/74/340429574.db2.gz POEQKMQLFBQGHY-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN CCC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000524580605 340657796 /nfs/dbraw/zinc/65/77/96/340657796.db2.gz ZZCLHXGMVSLVQO-CQSZACIVSA-N 0 0 305.765 4.597 20 5 DJBDRN CCCOc1ccccc1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000315760125 340676683 /nfs/dbraw/zinc/67/66/83/340676683.db2.gz RBERTCNVQHQVFY-CYBMUJFWSA-N 0 0 300.358 4.557 20 5 DJBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H](C)C(C)(C)C)no1 ZINC000544959503 341101343 /nfs/dbraw/zinc/10/13/43/341101343.db2.gz LMNZUSIQOLNEBC-WEHUKYGOSA-N 0 0 315.373 4.688 20 5 DJBDRN O=[N+]([O-])c1ccc(CSCc2ccc3ncccc3c2)cc1 ZINC000545314253 341120754 /nfs/dbraw/zinc/12/07/54/341120754.db2.gz IINCLPVJMIFHMJ-UHFFFAOYSA-N 0 0 310.378 4.576 20 5 DJBDRN CCN(CCC1CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000546866060 341184163 /nfs/dbraw/zinc/18/41/63/341184163.db2.gz ARGCRZNULYCMFF-UHFFFAOYSA-N 0 0 318.420 4.650 20 5 DJBDRN C[C@@H]1OCC[C@H]1SCc1nc2ccccc2c2ccccc12 ZINC000549929803 341307094 /nfs/dbraw/zinc/30/70/94/341307094.db2.gz SCOYNHZCXUONCX-ORAYPTAESA-N 0 0 309.434 4.799 20 5 DJBDRN C/C=C\c1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000565425765 341527075 /nfs/dbraw/zinc/52/70/75/341527075.db2.gz FJGUCRVZGUJPQZ-DAXSKMNVSA-N 0 0 324.380 4.544 20 5 DJBDRN C/C=C/c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000565976069 341544346 /nfs/dbraw/zinc/54/43/46/341544346.db2.gz PBPIPJLNDIKUCT-DUXPYHPUSA-N 0 0 316.744 4.534 20 5 DJBDRN O=C(Nc1ccccc1-c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000014704877 181966058 /nfs/dbraw/zinc/96/60/58/181966058.db2.gz SFUMEEXIHJYMAW-UHFFFAOYSA-N 0 0 324.361 4.576 20 5 DJBDRN C[C@H](Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000020090334 182185968 /nfs/dbraw/zinc/18/59/68/182185968.db2.gz XILHSMJWMQXJFR-JTQLQIEISA-N 0 0 321.174 4.530 20 5 DJBDRN CCCCC1CCC(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000040037801 183029364 /nfs/dbraw/zinc/02/93/64/183029364.db2.gz QEACNPNVXRFUMH-UHFFFAOYSA-N 0 0 318.417 4.838 20 5 DJBDRN CCCCC1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040037776 183029442 /nfs/dbraw/zinc/02/94/42/183029442.db2.gz MGGSIMUCVMZJKS-UHFFFAOYSA-N 0 0 304.390 4.530 20 5 DJBDRN O=[N+]([O-])c1cc(Br)ccc1Sc1cccs1 ZINC000042389113 183262192 /nfs/dbraw/zinc/26/21/92/183262192.db2.gz JCLCOKHFYPQIIO-UHFFFAOYSA-N 0 0 316.201 4.570 20 5 DJBDRN CC[C@@H](NCc1ccsc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000312788103 331738924 /nfs/dbraw/zinc/73/89/24/331738924.db2.gz XSQFFBIDSDZJJJ-CYBMUJFWSA-N 0 0 310.806 4.551 20 5 DJBDRN CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000426905091 332161333 /nfs/dbraw/zinc/16/13/33/332161333.db2.gz NIEDBWLSBUOQEY-VIFPVBQESA-N 0 0 311.794 4.576 20 5 DJBDRN Cc1ccc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)s1 ZINC000215737352 332199690 /nfs/dbraw/zinc/19/96/90/332199690.db2.gz XFFQHXOVTSMVNN-LDADJPATSA-N 0 0 322.389 4.949 20 5 DJBDRN CC(=O)c1cc(N[C@H]2CC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000569914257 332692481 /nfs/dbraw/zinc/69/24/81/332692481.db2.gz CFDMMXCHRMAODR-KRWDZBQOSA-N 0 0 324.380 4.632 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)cn1 ZINC000570434036 332754476 /nfs/dbraw/zinc/75/44/76/332754476.db2.gz UATTZIXCNSDTMC-MRXNPFEDSA-N 0 0 317.776 4.597 20 5 DJBDRN Cc1c(CN[C@H](C)c2ccc(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000183793344 333063467 /nfs/dbraw/zinc/06/34/67/333063467.db2.gz IICJUXUKUBJYDK-LLVKDONJSA-N 0 0 322.767 4.547 20 5 DJBDRN Cc1ccc(C(F)(F)F)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000387730719 333167309 /nfs/dbraw/zinc/16/73/09/333167309.db2.gz NYUAFBGGAOGWMK-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN CSc1ccc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020552947 333323072 /nfs/dbraw/zinc/32/30/72/333323072.db2.gz MOXJNPSKPWQLSO-LBPRGKRZSA-N 0 0 302.399 4.798 20 5 DJBDRN CCC(=O)c1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000112072452 334363805 /nfs/dbraw/zinc/36/38/05/334363805.db2.gz XXFSEFARUKXOGH-UHFFFAOYSA-N 0 0 322.320 4.528 20 5 DJBDRN O=[N+]([O-])c1ccccc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344163427 335226364 /nfs/dbraw/zinc/22/63/64/335226364.db2.gz HRXRPFAYTRKYAH-GOSISDBHSA-N 0 0 310.397 4.616 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000532442735 336247581 /nfs/dbraw/zinc/24/75/81/336247581.db2.gz URIJFDGNIZUSGY-LIRRHRJNSA-N 0 0 310.397 4.631 20 5 DJBDRN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCSc2c(F)cccc21 ZINC000301078076 336288751 /nfs/dbraw/zinc/28/87/51/336288751.db2.gz HHERENNRNPIJFS-LBPRGKRZSA-N 0 0 322.336 4.522 20 5 DJBDRN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000301181268 336293769 /nfs/dbraw/zinc/29/37/69/336293769.db2.gz HZHBFYHWNVMNNC-SECBINFHSA-N 0 0 323.393 4.661 20 5 DJBDRN Cc1cc(N[C@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000301196259 336294386 /nfs/dbraw/zinc/29/43/86/336294386.db2.gz OCGRDZFKOXFVGF-LLVKDONJSA-N 0 0 319.430 4.830 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000301197019 336294423 /nfs/dbraw/zinc/29/44/23/336294423.db2.gz OIAPFLUHEFBNHW-SNVBAGLBSA-N 0 0 305.403 4.522 20 5 DJBDRN CC(C)Sc1ccc([C@@H](C)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000301208111 336294957 /nfs/dbraw/zinc/29/49/57/336294957.db2.gz SORKKMVYQQRWFU-GFCCVEGCSA-N 0 0 317.414 4.663 20 5 DJBDRN Cc1cnc([C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000301370084 336302911 /nfs/dbraw/zinc/30/29/11/336302911.db2.gz SBSCEUXMZMSEQC-ZDUSSCGKSA-N 0 0 323.805 4.576 20 5 DJBDRN Cc1cc(N[C@@H](C)c2ccc3ccccc3c2)ncc1[N+](=O)[O-] ZINC000301413099 336305172 /nfs/dbraw/zinc/30/51/72/336305172.db2.gz CMLLXZOPBNJOKL-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN COCc1cc([N+](=O)[O-])ccc1N[C@H](C)c1cccc(C)c1C ZINC000301478701 336309355 /nfs/dbraw/zinc/30/93/55/336309355.db2.gz QLTVIPGEQTZGQK-CQSZACIVSA-N 0 0 314.385 4.531 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)cnc1Oc1cc(Cl)ccc1Cl ZINC000301743639 336327017 /nfs/dbraw/zinc/32/70/17/336327017.db2.gz MONSGWRTTNNESH-UHFFFAOYSA-N 0 0 319.531 4.742 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc(Cl)c(Cl)c1 ZINC000301755640 336327946 /nfs/dbraw/zinc/32/79/46/336327946.db2.gz XQTTZZRIPQZBOW-UHFFFAOYSA-N 0 0 319.531 4.742 20 5 DJBDRN CCCCc1nc(CSc2ccc([N+](=O)[O-])cc2)cs1 ZINC000498102603 337257249 /nfs/dbraw/zinc/25/72/49/337257249.db2.gz DSDPRLCSIUJNOJ-UHFFFAOYSA-N 0 0 308.428 4.686 20 5 DJBDRN C[C@@H](SCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000498116939 337277793 /nfs/dbraw/zinc/27/77/93/337277793.db2.gz JMKFVLUULZKTHG-SNVBAGLBSA-N 0 0 309.337 4.867 20 5 DJBDRN Cc1cc(N[C@@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000321628558 337280690 /nfs/dbraw/zinc/28/06/90/337280690.db2.gz VIJCBNBTZWIRHY-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN CCC[C@H](CC)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000572229480 337599205 /nfs/dbraw/zinc/59/92/05/337599205.db2.gz GILXGLGIJFNQFW-HNNXBMFYSA-N 0 0 306.409 4.697 20 5 DJBDRN CCSc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537523546 337939970 /nfs/dbraw/zinc/93/99/70/337939970.db2.gz MGWVHBVPOMHIFS-LBPRGKRZSA-N 0 0 302.399 4.880 20 5 DJBDRN O=[N+]([O-])c1ccc(/C=C\c2csc(Cl)c2Cl)nc1 ZINC000431583672 338134177 /nfs/dbraw/zinc/13/41/77/338134177.db2.gz SRFPTGCBDDQQNT-UPHRSURJSA-N 0 0 301.154 4.529 20 5 DJBDRN O=[N+]([O-])c1cc(CSc2nc(-c3ccccc3)co2)cs1 ZINC000436251943 338263735 /nfs/dbraw/zinc/26/37/35/338263735.db2.gz ZTGMSZVHAQAGEP-UHFFFAOYSA-N 0 0 318.379 4.604 20 5 DJBDRN C[C@@H](SCCOc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000437264718 338305230 /nfs/dbraw/zinc/30/52/30/338305230.db2.gz FYWSGUVWJYMMIN-GFCCVEGCSA-N 0 0 321.373 4.607 20 5 DJBDRN C[C@H](CSCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000439061815 338359921 /nfs/dbraw/zinc/35/99/21/338359921.db2.gz KZEPFNOPXPJCAG-SSDOTTSWSA-N 0 0 313.728 4.680 20 5 DJBDRN CC(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000439213137 338363940 /nfs/dbraw/zinc/36/39/40/338363940.db2.gz IHIOIKNBRQUUFS-UHFFFAOYSA-N 0 0 318.760 4.624 20 5 DJBDRN CC(=O)c1ccc(OCc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000440836889 338398368 /nfs/dbraw/zinc/39/83/68/338398368.db2.gz HMZNJYGCQSSZEF-UHFFFAOYSA-N 0 0 321.332 4.530 20 5 DJBDRN C[C@H](N[C@@H](C)c1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000451102767 338721189 /nfs/dbraw/zinc/72/11/89/338721189.db2.gz KYBBYQHASXLLOR-QWRGUYRKSA-N 0 0 322.767 4.799 20 5 DJBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)cc1 ZINC000462203432 339073925 /nfs/dbraw/zinc/07/39/25/339073925.db2.gz PNQMMPXAVDFQTF-UHFFFAOYSA-N 0 0 320.776 4.648 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2cccc(C3CCC3)c2)c(F)c1 ZINC000462867115 339095071 /nfs/dbraw/zinc/09/50/71/339095071.db2.gz RRRBQFRWOFHEEP-UHFFFAOYSA-N 0 0 300.333 4.614 20 5 DJBDRN COc1cc(N[C@@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000462923279 339098201 /nfs/dbraw/zinc/09/82/01/339098201.db2.gz AENONEKKYHKEJR-ZDUSSCGKSA-N 0 0 322.364 4.930 20 5 DJBDRN O=[N+]([O-])c1ccccc1Nc1cccc(Oc2ccccn2)c1 ZINC000463068308 339103909 /nfs/dbraw/zinc/10/39/09/339103909.db2.gz KJLWPNYVKKUZOQ-UHFFFAOYSA-N 0 0 307.309 4.526 20 5 DJBDRN COc1ccccc1[C@@H](C)Sc1ccc([N+](=O)[O-])cc1F ZINC000463066959 339103929 /nfs/dbraw/zinc/10/39/29/339103929.db2.gz BYYKIEIFUBRGGD-SNVBAGLBSA-N 0 0 307.346 4.596 20 5 DJBDRN COc1ccccc1[C@H](C)SCc1csc([N+](=O)[O-])c1 ZINC000463197695 339108959 /nfs/dbraw/zinc/10/89/59/339108959.db2.gz BHNGRYPUBUHDQP-JTQLQIEISA-N 0 0 309.412 4.659 20 5 DJBDRN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(-c2cccnc2)c1 ZINC000463569208 339121730 /nfs/dbraw/zinc/12/17/30/339121730.db2.gz ROYPNXSTGYJELM-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN C[C@@H]1CC[C@@H](N(C)C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000464477290 339142951 /nfs/dbraw/zinc/14/29/51/339142951.db2.gz DHFMBVIVBXDAMR-GDBMZVCRSA-N 0 0 318.420 4.649 20 5 DJBDRN C[C@H]1CC[C@@H](N(C)C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000464477291 339142957 /nfs/dbraw/zinc/14/29/57/339142957.db2.gz DHFMBVIVBXDAMR-GOEBONIOSA-N 0 0 318.420 4.649 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc21 ZINC000464720579 339149887 /nfs/dbraw/zinc/14/98/87/339149887.db2.gz QYHRVEZJWINPQZ-UHFFFAOYSA-N 0 0 320.348 4.563 20 5 DJBDRN Cc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)nc(C2CC2)n1 ZINC000465053777 339167053 /nfs/dbraw/zinc/16/70/53/339167053.db2.gz OGJWNHMLCAUTIY-UHFFFAOYSA-N 0 0 321.336 4.516 20 5 DJBDRN CC(/C=C\c1nc2ccccc2o1)=C/c1cccc([N+](=O)[O-])c1 ZINC000469111871 339280437 /nfs/dbraw/zinc/28/04/37/339280437.db2.gz WLQMTZQBJIPBTG-ZRQQEUPBSA-N 0 0 306.321 4.853 20 5 DJBDRN CC(=C\c1cccc([N+](=O)[O-])c1)/C=C\c1nc2ccccc2o1 ZINC000469111181 339280467 /nfs/dbraw/zinc/28/04/67/339280467.db2.gz WLQMTZQBJIPBTG-AZQRDTPRSA-N 0 0 306.321 4.853 20 5 DJBDRN CSc1ccccc1CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000471026289 339334814 /nfs/dbraw/zinc/33/48/14/339334814.db2.gz VXVPWSOMQUWRKM-CYBMUJFWSA-N 0 0 316.426 4.510 20 5 DJBDRN CSc1cccc(C)c1NCc1cccc([N+](=O)[O-])c1C ZINC000471987243 339358827 /nfs/dbraw/zinc/35/88/27/339358827.db2.gz XCKSSNTWPVICEC-UHFFFAOYSA-N 0 0 302.399 4.546 20 5 DJBDRN CCC[C@@H](CC)SCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000477065429 339485874 /nfs/dbraw/zinc/48/58/74/339485874.db2.gz CZTRUXGJJMEGQC-CQSZACIVSA-N 0 0 324.446 4.544 20 5 DJBDRN C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@@H]1C ZINC000501626196 340085362 /nfs/dbraw/zinc/08/53/62/340085362.db2.gz IGBJTTYPWKEXCN-GJZGRUSLSA-N 0 0 318.420 4.506 20 5 DJBDRN O=[N+]([O-])c1ccc(/C(=C\c2ccccc2)c2ccncc2)cc1 ZINC000502181660 340096539 /nfs/dbraw/zinc/09/65/39/340096539.db2.gz GUGPGXUQEOGVGT-XMHGGMMESA-N 0 0 302.333 4.579 20 5 DJBDRN O=[N+]([O-])c1ccc(/C(=C\c2cccc(F)c2)c2ccncc2)cc1 ZINC000502180566 340096576 /nfs/dbraw/zinc/09/65/76/340096576.db2.gz AXSQKHCNNGRRQH-CPNJWEJPSA-N 0 0 320.323 4.718 20 5 DJBDRN CN(Cc1ccc2ccccc2c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505591178 340172082 /nfs/dbraw/zinc/17/20/82/340172082.db2.gz QZMJCTJGDIRPHG-UHFFFAOYSA-N 0 0 324.355 4.519 20 5 DJBDRN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505615305 340173136 /nfs/dbraw/zinc/17/31/36/340173136.db2.gz SOXSLUXOTTZYIR-NSHDSACASA-N 0 0 322.767 4.580 20 5 DJBDRN CC(C)(C)[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000505891260 340180881 /nfs/dbraw/zinc/18/08/81/340180881.db2.gz IVWJZZVGMJIGJY-QGZVFWFLSA-N 0 0 316.376 4.611 20 5 DJBDRN Cc1c(C[NH2+][C@H](c2ccccc2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000507003590 340205152 /nfs/dbraw/zinc/20/51/52/340205152.db2.gz WSUORGFCFNXKLQ-GOSISDBHSA-N 0 0 312.413 4.780 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C=C\c1nc2ccccc2s1 ZINC000508596737 340247277 /nfs/dbraw/zinc/24/72/77/340247277.db2.gz FHEUCFMINCWXQO-TXHIZOSNSA-N 0 0 308.362 4.931 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2csc(-c3ccco3)n2)c1 ZINC000509085529 340260863 /nfs/dbraw/zinc/26/08/63/340260863.db2.gz USXWKDMOOVAKMQ-UHFFFAOYSA-N 0 0 318.379 4.604 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2ncc(-c3cccs3)o2)c1 ZINC000509695488 340277348 /nfs/dbraw/zinc/27/73/48/340277348.db2.gz FJGDRFDEYKLXDR-UHFFFAOYSA-N 0 0 318.379 4.604 20 5 DJBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511590591 340331724 /nfs/dbraw/zinc/33/17/24/340331724.db2.gz CTZXSKVIWZUDAR-MLGOLLRUSA-N 0 0 316.788 4.756 20 5 DJBDRN O=[N+]([O-])c1ccc(NCc2coc3ccccc23)c2ncccc12 ZINC000511691383 340335379 /nfs/dbraw/zinc/33/53/79/340335379.db2.gz LSYTWWGOBZOCNV-UHFFFAOYSA-N 0 0 319.320 4.501 20 5 DJBDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000173361797 340363306 /nfs/dbraw/zinc/36/33/06/340363306.db2.gz FBVFGPRKBKWHKZ-GTNSWQLSSA-N 0 0 316.788 4.586 20 5 DJBDRN C[C@@H](SCCOc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000517178033 340465016 /nfs/dbraw/zinc/46/50/16/340465016.db2.gz OYUNOQBUAMSISY-GFCCVEGCSA-N 0 0 321.373 4.607 20 5 DJBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c(Cl)c1 ZINC000524845056 340682382 /nfs/dbraw/zinc/68/23/82/340682382.db2.gz RDLAUTMKUDUQEU-UHFFFAOYSA-N 0 0 314.728 4.897 20 5 DJBDRN CSCc1cccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000539734499 340897716 /nfs/dbraw/zinc/89/77/16/340897716.db2.gz PKOJYTAFMYLYJY-LBPRGKRZSA-N 0 0 302.399 4.631 20 5 DJBDRN CSCc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540834895 340947956 /nfs/dbraw/zinc/94/79/56/340947956.db2.gz AQKMMBZQJBDXPU-CYBMUJFWSA-N 0 0 316.426 4.939 20 5 DJBDRN O=[N+]([O-])c1ccc(/C=C\c2nc3cc(Cl)ccc3o2)s1 ZINC000541076131 340958504 /nfs/dbraw/zinc/95/85/04/340958504.db2.gz RKXCPUNMTVUYHD-DJWKRKHSSA-N 0 0 306.730 4.621 20 5 DJBDRN CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)s1 ZINC000544452734 341082721 /nfs/dbraw/zinc/08/27/21/341082721.db2.gz XXODCULJJADSOJ-GFCCVEGCSA-N 0 0 324.833 4.859 20 5 DJBDRN C[C@@H](SCc1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000135395747 341238628 /nfs/dbraw/zinc/23/86/28/341238628.db2.gz UMITWDTZORHDPX-SNVBAGLBSA-N 0 0 320.439 4.923 20 5 DJBDRN Cc1ccc([C@@H](C)N[C@@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000079723064 341264548 /nfs/dbraw/zinc/26/45/48/341264548.db2.gz KGPAQHMSYXIRCE-NEPJUHHUSA-N 0 0 320.339 4.593 20 5 DJBDRN CO[C@H](CS[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549567766 341298040 /nfs/dbraw/zinc/29/80/40/341298040.db2.gz RYSCSDMFZKBAHM-CXAGYDPISA-N 0 0 317.410 4.777 20 5 DJBDRN CC(C)Sc1ccccc1NCc1ccccc1[N+](=O)[O-] ZINC000552213709 341378819 /nfs/dbraw/zinc/37/88/19/341378819.db2.gz BUULDFIJSIPMJN-UHFFFAOYSA-N 0 0 302.399 4.707 20 5 DJBDRN Cc1nc(Sc2c(Cl)cc(Cl)cc2[N+](=O)[O-])oc1C ZINC000552909715 341408402 /nfs/dbraw/zinc/40/84/02/341408402.db2.gz NNDKAOLWFYRFBK-UHFFFAOYSA-N 0 0 319.169 4.658 20 5 DJBDRN CC(=O)c1cc(N[C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000553532022 341431255 /nfs/dbraw/zinc/43/12/55/341431255.db2.gz KKWZQYINZRZVKH-LLVKDONJSA-N 0 0 324.336 4.717 20 5 DJBDRN CCS[C@@H](C)c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000566940817 341572178 /nfs/dbraw/zinc/57/21/78/341572178.db2.gz XZGJYTKFQRLZGE-JTQLQIEISA-N 0 0 321.402 4.582 20 5 DJBDRN O=[N+]([O-])c1ccc(NC(c2cccs2)c2cccs2)cc1 ZINC000037299669 182879095 /nfs/dbraw/zinc/87/90/95/182879095.db2.gz VEPPMJAEFJFUKU-UHFFFAOYSA-N 0 0 316.407 4.919 20 5 DJBDRN O=[N+]([O-])c1ccc2sc(/C=C/c3cc(F)ccc3F)nc2c1 ZINC000059269521 184136291 /nfs/dbraw/zinc/13/62/91/184136291.db2.gz CTJVWUVTKFSSQE-LZCJLJQNSA-N 0 0 318.304 4.653 20 5 DJBDRN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1c(C)ccc2C ZINC000065890214 184382134 /nfs/dbraw/zinc/38/21/34/184382134.db2.gz BKQBVGKOFHOPCB-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000071971786 184915393 /nfs/dbraw/zinc/91/53/93/184915393.db2.gz QYUNNJJZADMEBS-UHFFFAOYSA-N 0 0 300.314 4.524 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000071971774 184915493 /nfs/dbraw/zinc/91/54/93/184915493.db2.gz DUDNKWMJXXOIPR-UHFFFAOYSA-N 0 0 318.304 4.664 20 5 DJBDRN CCOc1cc(CNc2cccc(C(F)F)c2)ccc1[N+](=O)[O-] ZINC000276960642 130564605 /nfs/dbraw/zinc/56/46/05/130564605.db2.gz VNWGHXXBHMXYMZ-UHFFFAOYSA-N 0 0 322.311 4.543 20 5 DJBDRN Cc1ccc2cccc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000320517018 335069755 /nfs/dbraw/zinc/06/97/55/335069755.db2.gz FWZSMNMQRFAIKY-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN O=[N+]([O-])c1cnc(N[C@H](c2ccccc2F)C2CCCC2)s1 ZINC000409723476 332051166 /nfs/dbraw/zinc/05/11/66/332051166.db2.gz SQPFHYLXPSYRHV-AWEZNQCLSA-N 0 0 321.377 4.534 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000215858959 332206510 /nfs/dbraw/zinc/20/65/10/332206510.db2.gz AGKOYVOSQATAIS-SNVBAGLBSA-N 0 0 310.275 4.787 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000047873336 332301862 /nfs/dbraw/zinc/30/18/62/332301862.db2.gz BUYRPSFWNUFSTB-ZETCQYMHSA-N 0 0 300.742 4.622 20 5 DJBDRN O=[N+]([O-])c1cccc(Cl)c1OCc1ccc(C(F)F)cc1 ZINC000460803820 333143756 /nfs/dbraw/zinc/14/37/56/333143756.db2.gz HDYZXFZQRALUQV-UHFFFAOYSA-N 0 0 313.687 4.765 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCSc3ccccc32)c(Cl)c1 ZINC000022805163 335122578 /nfs/dbraw/zinc/12/25/78/335122578.db2.gz DCNNLQIPWOSJMU-CYBMUJFWSA-N 0 0 320.801 4.897 20 5 DJBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc2cc[nH]c21 ZINC000527302888 333204573 /nfs/dbraw/zinc/20/45/73/333204573.db2.gz NEFQUSOUIDMHHK-JLHYYAGUSA-N 0 0 307.353 4.592 20 5 DJBDRN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000020526158 333319933 /nfs/dbraw/zinc/31/99/33/333319933.db2.gz WYMAVFOHSVNVMD-VXGBXAGGSA-N 0 0 304.777 4.660 20 5 DJBDRN CSc1cccc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000021027750 333412877 /nfs/dbraw/zinc/41/28/77/333412877.db2.gz LPOHLKDLGXRVTL-LBPRGKRZSA-N 0 0 302.399 4.798 20 5 DJBDRN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000276551948 334081704 /nfs/dbraw/zinc/08/17/04/334081704.db2.gz QOJBAEFJWGEZIZ-NXEZZACHSA-N 0 0 310.806 4.722 20 5 DJBDRN CC(C)c1nc2ccc(Nc3ncc([N+](=O)[O-])s3)cc2s1 ZINC000443495793 338452868 /nfs/dbraw/zinc/45/28/68/338452868.db2.gz AKTJAAUUUYCATE-UHFFFAOYSA-N 0 0 320.399 4.528 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2ccccc2Cc2ccccc2)cc1 ZINC000323899896 335659471 /nfs/dbraw/zinc/65/94/71/335659471.db2.gz YORWPDDEOCQGLG-UHFFFAOYSA-N 0 0 318.376 4.798 20 5 DJBDRN COc1ccc([N+](=O)[O-])cc1CS[C@H](C)c1ccccc1 ZINC000520664997 336003640 /nfs/dbraw/zinc/00/36/40/336003640.db2.gz PLUGCYRQQYVAJJ-GFCCVEGCSA-N 0 0 303.383 4.598 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000532442734 336247663 /nfs/dbraw/zinc/24/76/63/336247663.db2.gz URIJFDGNIZUSGY-KUHUBIRLSA-N 0 0 310.397 4.631 20 5 DJBDRN CCC[C@@H](Nc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000192704029 336258912 /nfs/dbraw/zinc/25/89/12/336258912.db2.gz LIKJXAGLUAUHSG-GOSISDBHSA-N 0 0 314.385 4.695 20 5 DJBDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000192724767 336260056 /nfs/dbraw/zinc/26/00/56/336260056.db2.gz DSRLSZXEYVXZMZ-RYUDHWBXSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1csc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000379279782 336262513 /nfs/dbraw/zinc/26/25/13/336262513.db2.gz QBVWYGXTTMZWFU-UHFFFAOYSA-N 0 0 316.304 4.596 20 5 DJBDRN O=[N+]([O-])c1ccc(Nc2cccc(COCc3ccco3)c2)cc1 ZINC000301116492 336290731 /nfs/dbraw/zinc/29/07/31/336290731.db2.gz 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/nfs/dbraw/zinc/37/63/54/336376354.db2.gz SDZRTDYZMKBFCO-UHFFFAOYSA-N 0 0 324.336 4.546 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000392150837 337135707 /nfs/dbraw/zinc/13/57/07/337135707.db2.gz ZMEJEJWDFGIMOR-IBGZPJMESA-N 0 0 322.339 4.935 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000392150839 337135731 /nfs/dbraw/zinc/13/57/31/337135731.db2.gz ZMEJEJWDFGIMOR-LJQANCHMSA-N 0 0 322.339 4.935 20 5 DJBDRN C[C@@H](SCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000498117186 337277130 /nfs/dbraw/zinc/27/71/30/337277130.db2.gz LOXLPPOLIGTFRD-SNVBAGLBSA-N 0 0 309.337 4.867 20 5 DJBDRN C[C@H](SCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000498116935 337277761 /nfs/dbraw/zinc/27/77/61/337277761.db2.gz JMKFVLUULZKTHG-JTQLQIEISA-N 0 0 309.337 4.867 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1C1CC1 ZINC000425616657 337397519 /nfs/dbraw/zinc/39/75/19/337397519.db2.gz CBDPGSBLWHFXNM-UHFFFAOYSA-N 0 0 324.380 4.595 20 5 DJBDRN CC(C)c1nnc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000419545475 337488638 /nfs/dbraw/zinc/48/86/38/337488638.db2.gz WWJOIHMGOPPCCQ-JTQLQIEISA-N 0 0 323.443 4.564 20 5 DJBDRN CC(C)Oc1ccc(F)cc1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537530780 337940754 /nfs/dbraw/zinc/94/07/54/337940754.db2.gz OKFZEFRIWWBSOX-LBPRGKRZSA-N 0 0 318.348 4.694 20 5 DJBDRN Cc1nc2ccc(N[C@@H](C)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000315397534 337986112 /nfs/dbraw/zinc/98/61/12/337986112.db2.gz GAMCMEKYAYDPPQ-JTQLQIEISA-N 0 0 313.382 4.686 20 5 DJBDRN CCCOc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000315523138 337988661 /nfs/dbraw/zinc/98/86/61/337988661.db2.gz IGKAHRPCVSDDEZ-CYBMUJFWSA-N 0 0 300.358 4.557 20 5 DJBDRN Cc1cc(Oc2ccc(F)c3c2C(=O)C[C@H]3C)ccc1[N+](=O)[O-] ZINC000515540278 337991821 /nfs/dbraw/zinc/99/18/21/337991821.db2.gz VRFBYPVZDRNIOL-SNVBAGLBSA-N 0 0 315.300 4.525 20 5 DJBDRN CC(C)Oc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000515550193 337992499 /nfs/dbraw/zinc/99/24/99/337992499.db2.gz DVMSPKXRFCOJOT-CYBMUJFWSA-N 0 0 300.358 4.555 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@H](c3ccccc3)C2)c2ccncc21 ZINC000435593040 338243071 /nfs/dbraw/zinc/24/30/71/338243071.db2.gz OOFCXNZMTKBIIH-SHTZXODSSA-N 0 0 319.364 4.501 20 5 DJBDRN C[C@H](Nc1cccc(C(C)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000435941849 338253770 /nfs/dbraw/zinc/25/37/70/338253770.db2.gz LJBSHRJHSHXERJ-NSHDSACASA-N 0 0 306.312 4.880 20 5 DJBDRN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C(C)(F)F)c1 ZINC000436410123 338271504 /nfs/dbraw/zinc/27/15/04/338271504.db2.gz OPMHQWVLVYVOBS-UHFFFAOYSA-N 0 0 306.312 4.627 20 5 DJBDRN Cc1nc(C)c(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000437443720 338310403 /nfs/dbraw/zinc/31/04/03/338310403.db2.gz BXROQOYQVIBLMZ-JTQLQIEISA-N 0 0 308.428 4.663 20 5 DJBDRN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000437741604 338319841 /nfs/dbraw/zinc/31/98/41/338319841.db2.gz DBSRLOYKIZGDEU-CABCVRRESA-N 0 0 318.420 4.649 20 5 DJBDRN C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)F)c1 ZINC000449052639 338588428 /nfs/dbraw/zinc/58/84/28/338588428.db2.gz DZIYTFVCSATZSL-NSHDSACASA-N 0 0 306.312 4.576 20 5 DJBDRN Cc1nc(SC2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000450867039 338709565 /nfs/dbraw/zinc/70/95/65/338709565.db2.gz GVVVWZHGAUTCGT-UHFFFAOYSA-N 0 0 320.336 4.511 20 5 DJBDRN CC(C)c1ccc(SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000195618218 338911559 /nfs/dbraw/zinc/91/15/59/338911559.db2.gz UJFQCXFCJQIFDY-UHFFFAOYSA-N 0 0 315.394 4.693 20 5 DJBDRN Cc1cc(N[C@@H](C)CCCC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000461939913 339069247 /nfs/dbraw/zinc/06/92/47/339069247.db2.gz YXWKRWSBQLERFZ-VIFPVBQESA-N 0 0 308.275 4.575 20 5 DJBDRN Cc1sc(CNc2cc(C)c([N+](=O)[O-])cc2F)nc1C(C)C ZINC000461959752 339069826 /nfs/dbraw/zinc/06/98/26/339069826.db2.gz OYGJPHFLQYZYIO-UHFFFAOYSA-N 0 0 323.393 4.543 20 5 DJBDRN CCc1ccccc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000462215005 339074326 /nfs/dbraw/zinc/07/43/26/339074326.db2.gz YZWGBMUWXCKPMB-UHFFFAOYSA-N 0 0 314.385 4.557 20 5 DJBDRN CCCOc1cc(C)ccc1NCc1cccc([N+](=O)[O-])c1C ZINC000462239783 339074817 /nfs/dbraw/zinc/07/48/17/339074817.db2.gz SXCNDUHBSZAGMF-UHFFFAOYSA-N 0 0 314.385 4.613 20 5 DJBDRN C[C@H](Sc1nc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000463029978 339101729 /nfs/dbraw/zinc/10/17/29/339101729.db2.gz UTBFRNJOPSZOMU-JTQLQIEISA-N 0 0 300.339 4.589 20 5 DJBDRN Cc1cnc(N[C@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000463047452 339103026 /nfs/dbraw/zinc/10/30/26/339103026.db2.gz FFFZBUOYCHVRDP-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN COc1ccccc1[C@H](C)SCc1c(F)cccc1[N+](=O)[O-] ZINC000463192009 339108730 /nfs/dbraw/zinc/10/87/30/339108730.db2.gz KCWYBIIKRUSKCI-NSHDSACASA-N 0 0 321.373 4.737 20 5 DJBDRN COc1ccccc1[C@H](C)SCc1cccc([N+](=O)[O-])c1 ZINC000463206899 339109390 /nfs/dbraw/zinc/10/93/90/339109390.db2.gz QQUAPAKPCRZSDE-LBPRGKRZSA-N 0 0 303.383 4.598 20 5 DJBDRN COc1ccccc1[C@H](C)SCc1cccc([N+](=O)[O-])c1C ZINC000463209671 339109655 /nfs/dbraw/zinc/10/96/55/339109655.db2.gz KYPSFHYBOLDOGI-ZDUSSCGKSA-N 0 0 317.410 4.906 20 5 DJBDRN Cc1cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)oc2cc1C ZINC000463219707 339110146 /nfs/dbraw/zinc/11/01/46/339110146.db2.gz QCRYGLWMNIZXBB-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCC(c2ccccc2)CC1 ZINC000463241527 339111355 /nfs/dbraw/zinc/11/13/55/339111355.db2.gz CSOSKHCMIQVXOX-UHFFFAOYSA-N 0 0 324.380 4.507 20 5 DJBDRN C[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000463745758 339125427 /nfs/dbraw/zinc/12/54/27/339125427.db2.gz LUVHYMMOIYSHCA-SECBINFHSA-N 0 0 320.311 4.525 20 5 DJBDRN Cc1cc(S[C@@H](C)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000470866631 339329458 /nfs/dbraw/zinc/32/94/58/339329458.db2.gz NHKLNHYGPHDZMM-JTQLQIEISA-N 0 0 308.790 4.805 20 5 DJBDRN CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000470870448 339329678 /nfs/dbraw/zinc/32/96/78/339329678.db2.gz XEKZUHNWFYGEBQ-CYBMUJFWSA-N 0 0 305.765 4.515 20 5 DJBDRN CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000470870449 339329841 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CC1(C)CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000494155989 339942369 /nfs/dbraw/zinc/94/23/69/339942369.db2.gz HVFNLGNOAWPFSS-UHFFFAOYSA-N 0 0 318.420 4.650 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1CSc1ccc(Cl)cn1 ZINC000501141401 340075038 /nfs/dbraw/zinc/07/50/38/340075038.db2.gz ICVKWPZFRADNTO-UHFFFAOYSA-N 0 0 315.181 4.589 20 5 DJBDRN CC[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000505614446 340173132 /nfs/dbraw/zinc/17/31/32/340173132.db2.gz UKRCXBSOJGJGKL-OAHLLOKOSA-N 0 0 322.767 4.628 20 5 DJBDRN Cc1ccc(C)c([C@H](C)N(C)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505790069 340178034 /nfs/dbraw/zinc/17/80/34/340178034.db2.gz KPOIEYJKFWIGQH-AWEZNQCLSA-N 0 0 316.376 4.544 20 5 DJBDRN C[C@@H](c1ccccc1Cl)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505818344 340178813 /nfs/dbraw/zinc/17/88/13/340178813.db2.gz ASRVGYQSLRDJKY-NSHDSACASA-N 0 0 322.767 4.580 20 5 DJBDRN Cc1cc(OCCCCOC(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000506423201 340194449 /nfs/dbraw/zinc/19/44/49/340194449.db2.gz QSPRABMEMINCRO-UHFFFAOYSA-N 0 0 315.797 4.531 20 5 DJBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(Cl)s1 ZINC000506733414 340200573 /nfs/dbraw/zinc/20/05/73/340200573.db2.gz FGTCHCFAZCUBDK-SNVBAGLBSA-N 0 0 310.806 4.503 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2cccc(-c3cccs3)c2)cc1 ZINC000506888649 340203180 /nfs/dbraw/zinc/20/31/80/340203180.db2.gz IUCJGEQMAWDTGY-UHFFFAOYSA-N 0 0 310.378 4.935 20 5 DJBDRN Cc1ncsc1CCS[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000507103224 340207443 /nfs/dbraw/zinc/20/74/43/340207443.db2.gz LJHQXACYXMWYEB-LBPRGKRZSA-N 0 0 322.455 4.705 20 5 DJBDRN CC(C)c1ccc(CN(C)[C@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000507207141 340213457 /nfs/dbraw/zinc/21/34/57/340213457.db2.gz BKKAEJCXPXQEBK-CYBMUJFWSA-N 0 0 302.374 4.504 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C=C/c1ccc2cccc(O)c2n1 ZINC000508598726 340247365 /nfs/dbraw/zinc/24/73/65/340247365.db2.gz NTGKXBFSSQKSGJ-UGLGFUFDSA-N 0 0 318.332 4.575 20 5 DJBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000511590807 340331703 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CC[C@H](Nc1ccc(SC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000037010407 340735857 /nfs/dbraw/zinc/73/58/57/340735857.db2.gz GSLSRLSKKAKUIT-INIZCTEOSA-N 0 0 302.399 4.880 20 5 DJBDRN Cc1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000071798048 341048211 /nfs/dbraw/zinc/04/82/11/341048211.db2.gz VZCHURLGBZYXKK-UHFFFAOYSA-N 0 0 311.259 4.501 20 5 DJBDRN CCC(CC)S[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131809129 341112126 /nfs/dbraw/zinc/11/21/26/341112126.db2.gz DFNAPXJRCCUMFS-SNVBAGLBSA-N 0 0 321.402 4.628 20 5 DJBDRN C/C(=C\c1nc(-c2ccc([N+](=O)[O-])cc2C)no1)c1ccccc1 ZINC000545695896 341136879 /nfs/dbraw/zinc/13/68/79/341136879.db2.gz RXBVGRIHWYICOI-VAWYXSNFSA-N 0 0 321.336 4.514 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccccc3)cc2)cn1 ZINC000550328584 341315193 /nfs/dbraw/zinc/31/51/93/341315193.db2.gz XNNGCULQXGYURJ-UHFFFAOYSA-N 0 0 308.293 4.574 20 5 DJBDRN O=[N+]([O-])c1ccccc1CNc1ccc(CCC(F)(F)F)cc1 ZINC000552204791 341378267 /nfs/dbraw/zinc/37/82/67/341378267.db2.gz DARRKSMXCRBOSW-UHFFFAOYSA-N 0 0 324.302 4.702 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2nc(CSc3ccccc3)co2)cc1 ZINC000089660564 341406579 /nfs/dbraw/zinc/40/65/79/341406579.db2.gz CPSFUHMEYAZUFS-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN CCCCn1c(C)c(C)nc1SCc1ccccc1[N+](=O)[O-] ZINC000071834530 184861051 /nfs/dbraw/zinc/86/10/51/184861051.db2.gz LJKWAAWDNOMTJO-UHFFFAOYSA-N 0 0 319.430 4.501 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2ncnc3sccc32)c2ccccc21 ZINC000465052800 332928168 /nfs/dbraw/zinc/92/81/68/332928168.db2.gz FCJXYXYCVCMVPD-UHFFFAOYSA-N 0 0 323.333 4.545 20 5 DJBDRN CCC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000008204883 331978835 /nfs/dbraw/zinc/97/88/35/331978835.db2.gz FIDWSBIIGDFRLV-INIZCTEOSA-N 0 0 312.369 4.751 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2nc(-c3cccc4ccccc43)no2)s1 ZINC000518342349 332016245 /nfs/dbraw/zinc/01/62/45/332016245.db2.gz PMSCBJGVDLHSGY-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000047873337 332302018 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CSc1ccc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020552948 333323057 /nfs/dbraw/zinc/32/30/57/333323057.db2.gz MOXJNPSKPWQLSO-GFCCVEGCSA-N 0 0 302.399 4.798 20 5 DJBDRN Cc1c([C@@H](C)[NH2+]Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000537937915 333336162 /nfs/dbraw/zinc/33/61/62/333336162.db2.gz FRSKZQDLDGLGMR-OAHLLOKOSA-N 0 0 320.392 4.907 20 5 DJBDRN O=[N+]([O-])c1cc(CNc2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000319732111 333401218 /nfs/dbraw/zinc/40/12/18/333401218.db2.gz GZZFTOTYQQQGMO-UHFFFAOYSA-N 0 0 322.389 4.840 20 5 DJBDRN CC[C@H](Nc1cccc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000319761479 333402872 /nfs/dbraw/zinc/40/28/72/333402872.db2.gz DNBUCSFGBGXIDA-HNNXBMFYSA-N 0 0 322.311 4.759 20 5 DJBDRN CC[C@@H](Nc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000320121401 333426160 /nfs/dbraw/zinc/42/61/60/333426160.db2.gz DSAGXBYCFNDBQQ-CYBMUJFWSA-N 0 0 322.311 4.759 20 5 DJBDRN Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)cc2F)cccc1[N+](=O)[O-] ZINC000187577977 334265401 /nfs/dbraw/zinc/26/54/01/334265401.db2.gz MBWJSQGHGSEZQZ-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN Cc1ccc([C@@H](C)NCc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000187581940 334265725 /nfs/dbraw/zinc/26/57/25/334265725.db2.gz WRLFFBOPIJQGJI-LLVKDONJSA-N 0 0 322.767 4.547 20 5 DJBDRN O=[N+]([O-])c1cccnc1SCc1c(Cl)cccc1Cl ZINC000049418465 334336302 /nfs/dbraw/zinc/33/63/02/334336302.db2.gz FHRKOWMQXGVBLH-UHFFFAOYSA-N 0 0 315.181 4.589 20 5 DJBDRN CC[C@@H](Nc1ccc2ccn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000443199794 338446992 /nfs/dbraw/zinc/44/69/92/338446992.db2.gz FFFYWQGHGVCQQT-QGZVFWFLSA-N 0 0 309.369 4.650 20 5 DJBDRN Cc1cnc(SCc2nc3ccccc3c3ccccc23)nc1 ZINC000520687475 336016324 /nfs/dbraw/zinc/01/63/24/336016324.db2.gz OODMISNSKYQTEP-UHFFFAOYSA-N 0 0 317.417 4.779 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2cccc(Oc3ccccc3)c2)c1 ZINC000324403151 336211515 /nfs/dbraw/zinc/21/15/15/336211515.db2.gz POUFRMGWWVPVKC-UHFFFAOYSA-N 0 0 320.348 4.999 20 5 DJBDRN O=[N+]([O-])c1ccc(SCc2ccccc2Br)cc1 ZINC000042203487 336237341 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CCSc1ccc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000301451780 336307665 /nfs/dbraw/zinc/30/76/65/336307665.db2.gz UNVCZLQHNBXIEI-GFCCVEGCSA-N 0 0 317.414 4.583 20 5 DJBDRN COc1cc(N[C@@H](C)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000301479828 336309457 /nfs/dbraw/zinc/30/94/57/336309457.db2.gz DAUWSCYYXFZHKP-VIFPVBQESA-N 0 0 324.739 4.569 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000301558376 336314786 /nfs/dbraw/zinc/31/47/86/336314786.db2.gz JLFGNUWQPZFROK-ZDUSSCGKSA-N 0 0 323.352 4.731 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCCCC3)C2)c(Cl)c1 ZINC000301677473 336322898 /nfs/dbraw/zinc/32/28/98/336322898.db2.gz CYTWWZPDTVIXHX-GFCCVEGCSA-N 0 0 324.808 4.542 20 5 DJBDRN CC(C)Oc1cccc([C@H](C)Nc2sccc2[N+](=O)[O-])c1 ZINC000301992566 336341929 /nfs/dbraw/zinc/34/19/29/336341929.db2.gz NZVCZFBUACWTER-NSHDSACASA-N 0 0 306.387 4.617 20 5 DJBDRN COc1cccc(N[C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000302625290 336362918 /nfs/dbraw/zinc/36/29/18/336362918.db2.gz 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ZINC000446960650 338541930 /nfs/dbraw/zinc/54/19/30/338541930.db2.gz ZZILEIOSCYDIAB-CYBMUJFWSA-N 0 0 317.410 4.736 20 5 DJBDRN Cc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c(C)c1 ZINC000462203473 339073945 /nfs/dbraw/zinc/07/39/45/339073945.db2.gz PQGBTSWOOQMHDA-UHFFFAOYSA-N 0 0 314.385 4.611 20 5 DJBDRN Cc1c(CNc2cccc(OCC(C)C)c2)cccc1[N+](=O)[O-] ZINC000462247413 339074915 /nfs/dbraw/zinc/07/49/15/339074915.db2.gz POGJCOBUHFNJJW-UHFFFAOYSA-N 0 0 314.385 4.550 20 5 DJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNc2ccccc2)s1 ZINC000462681109 339084097 /nfs/dbraw/zinc/08/40/97/339084097.db2.gz VKWZHEHUESFMIJ-UHFFFAOYSA-N 0 0 310.378 4.935 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c2ccncc21 ZINC000462904421 339097245 /nfs/dbraw/zinc/09/72/45/339097245.db2.gz UQOOPYLPDBIUIQ-MGPQQGTHSA-N 0 0 311.385 4.524 20 5 DJBDRN CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 ZINC000462922128 339098127 /nfs/dbraw/zinc/09/81/27/339098127.db2.gz AOWHSGFJPUQYPG-AWEZNQCLSA-N 0 0 305.765 4.515 20 5 DJBDRN COc1ccccc1[C@@H](C)Sc1ncc([N+](=O)[O-])cc1Cl ZINC000463077106 339104754 /nfs/dbraw/zinc/10/47/54/339104754.db2.gz FJIUBYRHHCOGBZ-SECBINFHSA-N 0 0 324.789 4.505 20 5 DJBDRN COc1ccccc1[C@@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000463208422 339109472 /nfs/dbraw/zinc/10/94/72/339109472.db2.gz XPOZWKDWYDAFPN-GFCCVEGCSA-N 0 0 303.383 4.598 20 5 DJBDRN COc1ccccc1[C@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000463208423 339109536 /nfs/dbraw/zinc/10/95/36/339109536.db2.gz XPOZWKDWYDAFPN-LBPRGKRZSA-N 0 0 303.383 4.598 20 5 DJBDRN Cc1ccc2oc(S[C@@H](C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000463262211 339112476 /nfs/dbraw/zinc/11/24/76/339112476.db2.gz YUQGFQJAYXWNRJ-NSHDSACASA-N 0 0 314.366 4.898 20 5 DJBDRN Cc1cc(Oc2ccc(-c3ccccc3)cc2)ncc1[N+](=O)[O-] ZINC000470865775 339329441 /nfs/dbraw/zinc/32/94/41/339329441.db2.gz IKGWCLMSDZMWPH-UHFFFAOYSA-N 0 0 306.321 4.758 20 5 DJBDRN Cc1cc(N[C@H](c2ccccc2)C2CCCC2)ncc1[N+](=O)[O-] ZINC000470874078 339329933 /nfs/dbraw/zinc/32/99/33/339329933.db2.gz SFVIZCZLKJXBJY-GOSISDBHSA-N 0 0 311.385 4.642 20 5 DJBDRN C[C@@H](SCCCCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000473779361 339391857 /nfs/dbraw/zinc/39/18/57/339391857.db2.gz OUOISKPICYZRAD-CYBMUJFWSA-N 0 0 311.447 4.984 20 5 DJBDRN C[C@H](SCCCCOC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000473796850 339392233 /nfs/dbraw/zinc/39/22/33/339392233.db2.gz FKCVFPMZVFOPKL-ZDUSSCGKSA-N 0 0 311.447 4.984 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000473917658 339394831 /nfs/dbraw/zinc/39/48/31/339394831.db2.gz HHVPTELIMZGUBI-SNVBAGLBSA-N 0 0 300.289 4.653 20 5 DJBDRN Cc1oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2c1C ZINC000477924061 339504824 /nfs/dbraw/zinc/50/48/24/339504824.db2.gz QPGLGSXKUGTYAX-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000478820999 339523260 /nfs/dbraw/zinc/52/32/60/339523260.db2.gz GAZAKUROVPITDU-MRVPVSSYSA-N 0 0 312.753 4.636 20 5 DJBDRN Cc1cc2cc(Nc3ccc4ncccc4c3[N+](=O)[O-])ccc2[nH]1 ZINC000480375867 339571241 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DRQGLJNHWAZLOX-UHFFFAOYSA-N 0 0 314.291 4.638 20 5 DJBDRN CCOc1ccccc1[C@H](CC)Nc1ccccc1[N+](=O)[O-] ZINC000507028187 340205719 /nfs/dbraw/zinc/20/57/19/340205719.db2.gz SWLLJMKJHIIVLU-AWEZNQCLSA-N 0 0 300.358 4.557 20 5 DJBDRN COc1ccc(CSCCCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000507633762 340227032 /nfs/dbraw/zinc/22/70/32/340227032.db2.gz LESKKNMLBFAZTM-UHFFFAOYSA-N 0 0 323.336 4.569 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/C=C\c1ccc2ccccc2n1 ZINC000508599172 340247567 /nfs/dbraw/zinc/24/75/67/340247567.db2.gz PQSUUGCLVCCXTK-YLUFXQNESA-N 0 0 302.333 4.870 20 5 DJBDRN Cc1c(CNc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000302968397 340290912 /nfs/dbraw/zinc/29/09/12/340290912.db2.gz RRCLTVWPLUAUCF-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN C/C=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000513081252 340392467 /nfs/dbraw/zinc/39/24/67/340392467.db2.gz HWTOLRCETJBKQF-ONEGZZNKSA-N 0 0 303.289 4.568 20 5 DJBDRN CCCN(CC1CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000193326459 340576081 /nfs/dbraw/zinc/57/60/81/340576081.db2.gz YSYZKXATXVVCOT-UHFFFAOYSA-N 0 0 318.420 4.650 20 5 DJBDRN CC(C)(C)c1nc(CSc2ccc([N+](=O)[O-])cc2)cs1 ZINC000195541997 340581341 /nfs/dbraw/zinc/58/13/41/340581341.db2.gz QGIBRRVQXXDOAM-UHFFFAOYSA-N 0 0 308.428 4.641 20 5 DJBDRN CC[C@H](C)[C@@H](C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000195646055 340584155 /nfs/dbraw/zinc/58/41/55/340584155.db2.gz RQSRBLPHBPFJAK-UONOGXRCSA-N 0 0 306.409 4.552 20 5 DJBDRN Cc1cc(C)cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000302992755 340632040 /nfs/dbraw/zinc/63/20/40/340632040.db2.gz JOJXXTHETIBLJX-UHFFFAOYSA-N 0 0 319.748 4.509 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1CSc1nc2ccccc2o1 ZINC000523793194 340640508 /nfs/dbraw/zinc/64/05/08/340640508.db2.gz OVRHQZXTNGPKNS-UHFFFAOYSA-N 0 0 320.757 4.682 20 5 DJBDRN O=[N+]([O-])c1cnc(SCc2cccc(Cl)c2)c(Cl)c1 ZINC000303752303 340640982 /nfs/dbraw/zinc/64/09/82/340640982.db2.gz IHBZJXKQKQNGAB-UHFFFAOYSA-N 0 0 315.181 4.589 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1F ZINC000036971056 340723602 /nfs/dbraw/zinc/72/36/02/340723602.db2.gz CLNHEDWWZBIXRF-MRVPVSSYSA-N 0 0 312.703 4.700 20 5 DJBDRN CSc1cccc(N[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000538097536 340809006 /nfs/dbraw/zinc/80/90/06/340809006.db2.gz NKIBNRBLFUDWNH-GFCCVEGCSA-N 0 0 302.399 4.798 20 5 DJBDRN O=[N+]([O-])c1ccc(/C(=C/c2cccs2)c2ccncc2)cc1 ZINC000125856477 340812330 /nfs/dbraw/zinc/81/23/30/340812330.db2.gz FQHICCUCEDFJKH-ATVHPVEESA-N 0 0 308.362 4.640 20 5 DJBDRN CSCc1ccc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540835838 340947898 /nfs/dbraw/zinc/94/78/98/340947898.db2.gz SCRMDMZMYVQDKN-ZDUSSCGKSA-N 0 0 316.426 4.939 20 5 DJBDRN CSc1ccc(C)c(NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000542702116 341017923 /nfs/dbraw/zinc/01/79/23/341017923.db2.gz UPAMUXNDDASBKY-UHFFFAOYSA-N 0 0 302.399 4.546 20 5 DJBDRN CCCCS[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000544784714 341093748 /nfs/dbraw/zinc/09/37/48/341093748.db2.gz GWHRBPFCMXSIRR-NSHDSACASA-N 0 0 321.402 4.548 20 5 DJBDRN C/C(=C\c1nc(-c2ccccc2C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546966558 341189078 /nfs/dbraw/zinc/18/90/78/341189078.db2.gz RZCGPJCKKXFTTP-ACCUITESSA-N 0 0 321.336 4.514 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2ccccc2OC2CCCC2)c1 ZINC000237993356 341224400 /nfs/dbraw/zinc/22/44/00/341224400.db2.gz UKXPOINGNPIFLD-UHFFFAOYSA-N 0 0 312.369 4.528 20 5 DJBDRN C[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078991520 341251444 /nfs/dbraw/zinc/25/14/44/341251444.db2.gz BGMQVLKBKNIYDI-AUUYWEPGSA-N 0 0 322.364 4.628 20 5 DJBDRN C[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078991503 341251512 /nfs/dbraw/zinc/25/15/12/341251512.db2.gz BGMQVLKBKNIYDI-KUHUBIRLSA-N 0 0 322.364 4.628 20 5 DJBDRN CCCc1nc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000552468117 341395080 /nfs/dbraw/zinc/39/50/80/341395080.db2.gz BMOBTCGXHSBQLZ-NSHDSACASA-N 0 0 322.455 4.998 20 5 DJBDRN Cc1c([C@H](C)N[C@H](C)c2cccc(F)c2F)cccc1[N+](=O)[O-] ZINC000090963323 341420800 /nfs/dbraw/zinc/42/08/00/341420800.db2.gz YPBKXSFCTRJLQH-NWDGAFQWSA-N 0 0 320.339 4.593 20 5 DJBDRN C[C@H](Nc1ccc(-c2ccccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000572537248 341429283 /nfs/dbraw/zinc/42/92/83/341429283.db2.gz GUBLQGSLLIIFIF-AWEZNQCLSA-N 0 0 319.364 4.830 20 5 DJBDRN O=[N+]([O-])c1ccc(OCCC(F)(F)F)c(-c2cccs2)c1 ZINC000553567235 341431738 /nfs/dbraw/zinc/43/17/38/341431738.db2.gz UTPUXQVAPSQYEN-UHFFFAOYSA-N 0 0 317.288 4.655 20 5 DJBDRN C[C@@H](SCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000565520321 341529977 /nfs/dbraw/zinc/52/99/77/341529977.db2.gz HQTAFIPFXVNRBU-CYBMUJFWSA-N 0 0 309.431 4.596 20 5 DJBDRN Cc1cccc(-c2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)c1 ZINC000573484166 341729566 /nfs/dbraw/zinc/72/95/66/341729566.db2.gz VTIOCWVGSXPKOU-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178661500 341961128 /nfs/dbraw/zinc/96/11/28/341961128.db2.gz YINMQJMUDZREHJ-GHMZBOCLSA-N 0 0 322.767 4.799 20 5 DJBDRN CC(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000007689903 181487344 /nfs/dbraw/zinc/48/73/44/181487344.db2.gz ZKRPQMOWNVVMDN-UHFFFAOYSA-N 0 0 318.760 4.624 20 5 DJBDRN Cc1ccc2cc([C@@H](C)NCc3ccccc3[N+](=O)[O-])oc2c1 ZINC000426039642 335043739 /nfs/dbraw/zinc/04/37/39/335043739.db2.gz OFOUZIJNVOFPSL-CYBMUJFWSA-N 0 0 310.353 4.500 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2csc(CCc3ccccc3)n2)cc1 ZINC000059932670 184142768 /nfs/dbraw/zinc/14/27/68/184142768.db2.gz JCLNTTXTOQUROC-UHFFFAOYSA-N 0 0 310.378 4.504 20 5 DJBDRN Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000075102965 331594651 /nfs/dbraw/zinc/59/46/51/331594651.db2.gz LSUAICAGYLVTLW-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN CC(=O)c1cc(N[C@@H](C)c2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000557602801 331801890 /nfs/dbraw/zinc/80/18/90/331801890.db2.gz QVIXXVBPYTUYBJ-ZDUSSCGKSA-N 0 0 312.369 4.587 20 5 DJBDRN C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000525548791 331934954 /nfs/dbraw/zinc/93/49/54/331934954.db2.gz HPVDMCDMVYEPCE-LSDHHAIUSA-N 0 0 318.420 4.649 20 5 DJBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)ccc1Cl ZINC000409647184 332043492 /nfs/dbraw/zinc/04/34/92/332043492.db2.gz ZYIQPQLTCCVLAY-ZCFIWIBFSA-N 0 0 318.185 4.531 20 5 DJBDRN O=Cc1ccc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000050440515 332355366 /nfs/dbraw/zinc/35/53/66/332355366.db2.gz QBLWJAVQCYWKGO-UHFFFAOYSA-N 0 0 312.108 4.506 20 5 DJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(F)c(Cl)c1 ZINC000448097463 332511800 /nfs/dbraw/zinc/51/18/00/332511800.db2.gz OGIWFPXCSTXGOA-QMMMGPOBSA-N 0 0 312.753 4.636 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C\CNc1ccccc1OCC1CC1 ZINC000562142000 332552725 /nfs/dbraw/zinc/55/27/25/332552725.db2.gz BUIOLBRNVYTWNM-ALCCZGGFSA-N 0 0 324.380 4.509 20 5 DJBDRN CC(=O)c1cc(N[C@@H]2CC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000569914258 332692505 /nfs/dbraw/zinc/69/25/05/332692505.db2.gz CFDMMXCHRMAODR-QGZVFWFLSA-N 0 0 324.380 4.632 20 5 DJBDRN Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)c(C)o1 ZINC000301088353 332969888 /nfs/dbraw/zinc/96/98/88/332969888.db2.gz FFQOPNRJAAUSSX-NSHDSACASA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1ccc([C@@H](C)Nc2ccc3cc([N+](=O)[O-])ccc3n2)s1 ZINC000301111270 332970150 /nfs/dbraw/zinc/97/01/50/332970150.db2.gz WKGUBERHMPXGIM-LLVKDONJSA-N 0 0 313.382 4.686 20 5 DJBDRN C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178657488 333017803 /nfs/dbraw/zinc/01/78/03/333017803.db2.gz RIGPGWDXFXCIIS-GHMZBOCLSA-N 0 0 322.767 4.799 20 5 DJBDRN COc1cc(Cl)c(C)cc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000314414006 333110402 /nfs/dbraw/zinc/11/04/02/333110402.db2.gz WMEZKCHWSCKCRY-LLVKDONJSA-N 0 0 320.776 4.738 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@H]2CCSc3ccccc32)c(Cl)c1 ZINC000022805169 335122679 /nfs/dbraw/zinc/12/26/79/335122679.db2.gz DCNNLQIPWOSJMU-ZDUSSCGKSA-N 0 0 320.801 4.897 20 5 DJBDRN CC(C)OCc1cccc(N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000525761191 333240927 /nfs/dbraw/zinc/24/09/27/333240927.db2.gz BONUIOTXJDOOOE-CQSZACIVSA-N 0 0 314.385 4.693 20 5 DJBDRN C/C=C/c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000497721252 333282482 /nfs/dbraw/zinc/28/24/82/333282482.db2.gz CGRQDKYDENIYMQ-ONEGZZNKSA-N 0 0 303.289 4.568 20 5 DJBDRN Cc1c(Cl)cc(NCc2csc([N+](=O)[O-])c2)cc1Cl ZINC000462229327 333384293 /nfs/dbraw/zinc/38/42/93/333384293.db2.gz FRNXTAUCSBRMMU-UHFFFAOYSA-N 0 0 317.197 4.884 20 5 DJBDRN Cc1c(CNc2cccc(C(C)(F)F)c2)cccc1[N+](=O)[O-] ZINC000187583136 334265795 /nfs/dbraw/zinc/26/57/95/334265795.db2.gz LFAVZNAPOZCHSY-UHFFFAOYSA-N 0 0 306.312 4.627 20 5 DJBDRN CC(C)c1ccc(C(=O)Nc2ccsc2Cl)cc1[N+](=O)[O-] ZINC000188141059 334659126 /nfs/dbraw/zinc/65/91/26/334659126.db2.gz ONNMMIRDKCDPNA-UHFFFAOYSA-N 0 0 324.789 4.685 20 5 DJBDRN O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344163438 335226548 /nfs/dbraw/zinc/22/65/48/335226548.db2.gz HRXRPFAYTRKYAH-SFHVURJKSA-N 0 0 310.397 4.616 20 5 DJBDRN CC(C)c1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000324315887 336141867 /nfs/dbraw/zinc/14/18/67/336141867.db2.gz GFXIHYZIJRBEBC-UHFFFAOYSA-N 0 0 321.380 4.879 20 5 DJBDRN O=[N+]([O-])c1ccc(SCc2ccc(Br)cc2)cc1 ZINC000042203461 336237371 /nfs/dbraw/zinc/23/73/71/336237371.db2.gz GVXVUSZJYBIGON-UHFFFAOYSA-N 0 0 324.199 4.650 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1Cl ZINC000043474158 336254550 /nfs/dbraw/zinc/25/45/50/336254550.db2.gz SHSYWYYBEHNBGL-QMMMGPOBSA-N 0 0 312.703 4.700 20 5 DJBDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000192724791 336260191 /nfs/dbraw/zinc/26/01/91/336260191.db2.gz DSRLSZXEYVXZMZ-NEPJUHHUSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc2ccn(C)c2c1 ZINC000526948912 336275654 /nfs/dbraw/zinc/27/56/54/336275654.db2.gz DMBTZSQITUYZFY-ZDUSSCGKSA-N 0 0 309.369 4.568 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2F)c2ccncc21 ZINC000301066130 336288219 /nfs/dbraw/zinc/28/82/19/336288219.db2.gz PNTNBMVFTDIEFU-UHFFFAOYSA-N 0 0 318.691 4.728 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000301094917 336289722 /nfs/dbraw/zinc/28/97/22/336289722.db2.gz QPSAWCGYXIPIJR-ZDUSSCGKSA-N 0 0 322.336 4.522 20 5 DJBDRN C[C@H](Sc1ncc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000301264103 336297416 /nfs/dbraw/zinc/29/74/16/336297416.db2.gz HEANEQJLFZATRN-QMMMGPOBSA-N 0 0 312.753 4.636 20 5 DJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000301469203 336308798 /nfs/dbraw/zinc/30/87/98/336308798.db2.gz HTZVGGFTRAOYNE-AWEZNQCLSA-N 0 0 319.364 4.830 20 5 DJBDRN Cc1cnc([C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000301581457 336316231 /nfs/dbraw/zinc/31/62/31/336316231.db2.gz NSYFHRRRKNWOIV-CYBMUJFWSA-N 0 0 323.805 4.576 20 5 DJBDRN Cc1nc(N[C@@H](C)c2cc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000301651361 336320924 /nfs/dbraw/zinc/32/09/24/336320924.db2.gz JXSYHVCYYOPXEO-NSHDSACASA-N 0 0 313.382 4.686 20 5 DJBDRN Cc1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000301806304 336331299 /nfs/dbraw/zinc/33/12/99/336331299.db2.gz FETVJHFEVRVBAO-CYBMUJFWSA-N 0 0 323.352 4.731 20 5 DJBDRN CC(C)(C)OCc1cccc(CNc2sccc2[N+](=O)[O-])c1 ZINC000301978628 336341009 /nfs/dbraw/zinc/34/10/09/336341009.db2.gz FHSUQYJBLRWKIQ-UHFFFAOYSA-N 0 0 320.414 4.584 20 5 DJBDRN COc1cccc(N[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000302620896 336362784 /nfs/dbraw/zinc/36/27/84/336362784.db2.gz FHOSOLLHARHOIV-NSHDSACASA-N 0 0 312.325 4.523 20 5 DJBDRN O=[N+]([O-])c1ccc(NCc2ccc(C3CC3)cc2)c2ccncc21 ZINC000302723405 336366547 /nfs/dbraw/zinc/36/65/47/336366547.db2.gz NJJJCKZCFDBXOH-UHFFFAOYSA-N 0 0 319.364 4.633 20 5 DJBDRN CCCOc1cc(C)ccc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000321119031 337199546 /nfs/dbraw/zinc/19/95/46/337199546.db2.gz CITOSJYNXGIQSC-AWEZNQCLSA-N 0 0 314.385 4.865 20 5 DJBDRN Cc1cc(N[C@@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000321617312 337279662 /nfs/dbraw/zinc/27/96/62/337279662.db2.gz TXPGAPGEWXHKRQ-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN CC[C@@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000107904562 337832955 /nfs/dbraw/zinc/83/29/55/337832955.db2.gz DRQWGFCAUYENNG-GFCCVEGCSA-N 0 0 310.806 4.551 20 5 DJBDRN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000122079678 337906038 /nfs/dbraw/zinc/90/60/38/337906038.db2.gz UTLLVNHIFWUXEC-OLZOCXBDSA-N 0 0 310.353 4.753 20 5 DJBDRN Cc1ccsc1/C=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000514765523 337970542 /nfs/dbraw/zinc/97/05/42/337970542.db2.gz SKTMZDBRKBEYHO-SFQUDFHCSA-N 0 0 322.389 4.949 20 5 DJBDRN CC(C)Oc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000515480424 337990540 /nfs/dbraw/zinc/99/05/40/337990540.db2.gz NRMTZCAUQCDHOR-UHFFFAOYSA-N 0 0 323.352 4.674 20 5 DJBDRN CC(C)Oc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000515550197 337992460 /nfs/dbraw/zinc/99/24/60/337992460.db2.gz DVMSPKXRFCOJOT-ZDUSSCGKSA-N 0 0 300.358 4.555 20 5 DJBDRN Cc1ccnc(Oc2ccc(C3CC3)cc2Cl)c1[N+](=O)[O-] ZINC000432163317 338147709 /nfs/dbraw/zinc/14/77/09/338147709.db2.gz ALXKNXQLOPBMNA-UHFFFAOYSA-N 0 0 304.733 4.621 20 5 DJBDRN O=[N+]([O-])c1cccc(CSc2nc(-c3ccccc3)co2)c1 ZINC000436247528 338263399 /nfs/dbraw/zinc/26/33/99/338263399.db2.gz UTSZWXVVANXFFS-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN CC(F)(F)c1cccc(NC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000436411748 338271518 /nfs/dbraw/zinc/27/15/18/338271518.db2.gz PVQUDZHOCCVHFY-FNORWQNLSA-N 0 0 318.323 4.832 20 5 DJBDRN C[C@H]1CC[C@H](C)N(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000437741615 338319812 /nfs/dbraw/zinc/31/98/12/338319812.db2.gz DBSRLOYKIZGDEU-GJZGRUSLSA-N 0 0 318.420 4.649 20 5 DJBDRN CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000439138836 338362147 /nfs/dbraw/zinc/36/21/47/338362147.db2.gz XFIXFMVLUQLTKG-UHFFFAOYSA-N 0 0 318.417 4.513 20 5 DJBDRN Cc1nc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000446796686 338536126 /nfs/dbraw/zinc/53/61/26/338536126.db2.gz MRIOCGMQWWZLKV-LLVKDONJSA-N 0 0 308.428 4.663 20 5 DJBDRN O=[N+]([O-])c1cccc2ccc(/C=C\c3scnc3C3CC3)nc21 ZINC000447352716 338550518 /nfs/dbraw/zinc/55/05/18/338550518.db2.gz BDXGMOKBLNRGCM-HJWRWDBZSA-N 0 0 323.377 4.647 20 5 DJBDRN Cc1ccc(C)c(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c1 ZINC000462211002 339074146 /nfs/dbraw/zinc/07/41/46/339074146.db2.gz MMNPDHNQZMRHPP-UHFFFAOYSA-N 0 0 314.385 4.611 20 5 DJBDRN Cc1c2ccccc2oc1[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000463047068 339102997 /nfs/dbraw/zinc/10/29/97/339102997.db2.gz CCPSMDDZHHZRGN-GFCCVEGCSA-N 0 0 311.341 4.526 20 5 DJBDRN Cc1cnc(S[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000463054162 339103311 /nfs/dbraw/zinc/10/33/11/339103311.db2.gz KWUBPPOEUDEPFQ-SNVBAGLBSA-N 0 0 308.790 4.805 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2ccccc2c1 ZINC000464721434 339149969 /nfs/dbraw/zinc/14/99/69/339149969.db2.gz XCXOAMGAGNCPNI-UHFFFAOYSA-N 0 0 320.348 4.563 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2nc3ccccc3o2)c2ccccc21 ZINC000465053869 339167060 /nfs/dbraw/zinc/16/70/60/339167060.db2.gz PWCFZVJBVPMOPW-UHFFFAOYSA-N 0 0 306.277 4.682 20 5 DJBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc2oc(C)nc2c1 ZINC000468635815 339267576 /nfs/dbraw/zinc/26/75/76/339267576.db2.gz UDCYAOICAFYCNJ-WQLSENKSSA-N 0 0 323.352 4.560 20 5 DJBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc2nc(C)oc2c1 ZINC000469098266 339280143 /nfs/dbraw/zinc/28/01/43/339280143.db2.gz UOFMZNIZCVQGDH-WQLSENKSSA-N 0 0 323.352 4.560 20 5 DJBDRN Cc1cc2occ(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2cc1C ZINC000472231027 339366778 /nfs/dbraw/zinc/36/67/78/339366778.db2.gz IDURQLRPZDOOQV-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN Cc1cc(OCc2cccc(C(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000475896070 339464432 /nfs/dbraw/zinc/46/44/32/339464432.db2.gz JNQOQMIMGCHHKU-UHFFFAOYSA-N 0 0 311.259 4.559 20 5 DJBDRN O=[N+]([O-])c1cccc2nc(/C=C/C=C\c3ccccc3)ccc21 ZINC000476965898 339483547 /nfs/dbraw/zinc/48/35/47/339483547.db2.gz XSPBKCSNFJEPCB-DHPVUTNOSA-N 0 0 302.333 4.870 20 5 DJBDRN CC[C@@H](C)n1ncc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000477929362 339505168 /nfs/dbraw/zinc/50/51/68/339505168.db2.gz RIMOHAFVURLCSA-DGCLKSJQSA-N 0 0 316.405 4.552 20 5 DJBDRN C[C@H](SCc1ncc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000478914928 339524564 /nfs/dbraw/zinc/52/45/64/339524564.db2.gz YTXXKGIOGRRJAX-QMMMGPOBSA-N 0 0 314.819 4.699 20 5 DJBDRN CC(C)(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000489176492 339802967 /nfs/dbraw/zinc/80/29/67/339802967.db2.gz OHVCYAUERFKKNP-CYBMUJFWSA-N 0 0 313.401 4.548 20 5 DJBDRN C[C@H](c1cccc(Cl)c1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505818913 340178731 /nfs/dbraw/zinc/17/87/31/340178731.db2.gz DINLGZPRNJIHMQ-LLVKDONJSA-N 0 0 322.767 4.580 20 5 DJBDRN CC(C)(C)[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000505891259 340180888 /nfs/dbraw/zinc/18/08/88/340180888.db2.gz IVWJZZVGMJIGJY-KRWDZBQOSA-N 0 0 316.376 4.611 20 5 DJBDRN CSc1ccc(C)c(NCc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000506248937 340189987 /nfs/dbraw/zinc/18/99/87/340189987.db2.gz ZGDIILLXPJAOHR-UHFFFAOYSA-N 0 0 324.352 4.515 20 5 DJBDRN C[C@@H](Nc1ccc(F)c(C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000507468659 340221235 /nfs/dbraw/zinc/22/12/35/340221235.db2.gz HOWCEAHVJOOZCB-LLVKDONJSA-N 0 0 300.333 4.784 20 5 DJBDRN CC(C)(C)c1csc(CSc2cccc([N+](=O)[O-])c2)n1 ZINC000509083397 340260694 /nfs/dbraw/zinc/26/06/94/340260694.db2.gz ODRZPYNJRWIPJU-UHFFFAOYSA-N 0 0 308.428 4.641 20 5 DJBDRN C[C@@H](Sc1cccc([N+](=O)[O-])c1)c1ncc(C(C)(C)C)o1 ZINC000509670327 340276417 /nfs/dbraw/zinc/27/64/17/340276417.db2.gz YYEMIGVIZDVGFW-SNVBAGLBSA-N 0 0 306.387 4.734 20 5 DJBDRN COc1ccc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000302639215 340278020 /nfs/dbraw/zinc/27/80/20/340278020.db2.gz WVBFQNVRGMNDFZ-VIFPVBQESA-N 0 0 324.739 4.569 20 5 DJBDRN O=[N+]([O-])c1cc(COc2cc(Cl)cc(Cl)c2)cs1 ZINC000510883293 340313897 /nfs/dbraw/zinc/31/38/97/340313897.db2.gz WXWLSVAEGNSLCA-UHFFFAOYSA-N 0 0 304.154 4.542 20 5 DJBDRN Cc1ccc2oc(S[C@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000303530702 340331281 /nfs/dbraw/zinc/33/12/81/340331281.db2.gz DUPAEZWBNDZCSF-LLVKDONJSA-N 0 0 314.366 4.898 20 5 DJBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000511590590 340331744 /nfs/dbraw/zinc/33/17/44/340331744.db2.gz CTZXSKVIWZUDAR-LRDDRELGSA-N 0 0 316.788 4.756 20 5 DJBDRN COc1ccc([N+](=O)[O-])cc1CSc1cccc(Cl)c1 ZINC000523865973 340643300 /nfs/dbraw/zinc/64/33/00/340643300.db2.gz QXDCWFATCHLMLZ-UHFFFAOYSA-N 0 0 309.774 4.549 20 5 DJBDRN C[C@H]1C[C@H]1c1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000036971048 340723596 /nfs/dbraw/zinc/72/35/96/340723596.db2.gz RGNHHCDQFGPTGZ-JOYOIKCWSA-N 0 0 306.749 4.577 20 5 DJBDRN CC(C)c1nccn1Cc1nc2ccccc2c2ccccc12 ZINC000543717218 341055014 /nfs/dbraw/zinc/05/50/14/341055014.db2.gz QDBLOMRKIPHNJV-UHFFFAOYSA-N 0 0 301.393 4.756 20 5 DJBDRN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000131318335 341075627 /nfs/dbraw/zinc/07/56/27/341075627.db2.gz FABWIVQAPCJPIU-LLVKDONJSA-N 0 0 320.414 4.875 20 5 DJBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)CCC(C)(C)C ZINC000544401794 341080379 /nfs/dbraw/zinc/08/03/79/341080379.db2.gz PSPXCKDYJWTPFM-LBPRGKRZSA-N 0 0 306.406 4.613 20 5 DJBDRN CCC(CC)S[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131808905 341112111 /nfs/dbraw/zinc/11/21/11/341112111.db2.gz DFNAPXJRCCUMFS-JTQLQIEISA-N 0 0 321.402 4.628 20 5 DJBDRN CCC(C)(C)c1ccc(Oc2ncc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000546175001 341156007 /nfs/dbraw/zinc/15/60/07/341156007.db2.gz ZTHHUYYODWYMLP-UHFFFAOYSA-N 0 0 321.764 4.518 20 5 DJBDRN Cc1cc(F)ccc1Cc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000547484497 341216563 /nfs/dbraw/zinc/21/65/63/341216563.db2.gz IHBCOSAMTVBIHD-UHFFFAOYSA-N 0 0 318.351 4.527 20 5 DJBDRN C[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000078991456 341251426 /nfs/dbraw/zinc/25/14/26/341251426.db2.gz ZQGPXKHZWJZZPK-IFXJQAMLSA-N 0 0 322.364 4.628 20 5 DJBDRN C[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000078991443 341251446 /nfs/dbraw/zinc/25/14/46/341251446.db2.gz ZQGPXKHZWJZZPK-LIRRHRJNSA-N 0 0 322.364 4.628 20 5 DJBDRN COc1ccc(CSC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000552480728 341395611 /nfs/dbraw/zinc/39/56/11/341395611.db2.gz CQXCAPBIYXFJLZ-VMPITWQZSA-N 0 0 315.394 4.550 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cccc4ccsc43)n2)cc1 ZINC000554788721 341464004 /nfs/dbraw/zinc/46/40/04/341464004.db2.gz JWPVGHCKGIESJP-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN CC[C@@H](Nc1cccc2ccncc21)c1cccc([N+](=O)[O-])c1 ZINC000322371589 341510691 /nfs/dbraw/zinc/51/06/91/341510691.db2.gz ZQMXOASAKAPKGU-QGZVFWFLSA-N 0 0 307.353 4.706 20 5 DJBDRN CCS[C@H](C)c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000566940818 341572169 /nfs/dbraw/zinc/57/21/69/341572169.db2.gz XZGJYTKFQRLZGE-SNVBAGLBSA-N 0 0 321.402 4.582 20 5 DJBDRN O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1cccc3ccncc31)CCC2 ZINC000577932652 341949879 /nfs/dbraw/zinc/94/98/79/341949879.db2.gz MAILUMNPAPANPR-GOSISDBHSA-N 0 0 319.364 4.633 20 5 DJBDRN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000266778972 519866228 /nfs/dbraw/zinc/86/62/28/519866228.db2.gz MHQGHPDJFRWCDZ-NWDGAFQWSA-N 0 0 319.430 4.587 20 5 DJBDRN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000266778977 519866527 /nfs/dbraw/zinc/86/65/27/519866527.db2.gz MHQGHPDJFRWCDZ-VXGBXAGGSA-N 0 0 319.430 4.587 20 5 DJBDRN Cc1ccc(Sc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000070136408 190862725 /nfs/dbraw/zinc/86/27/25/190862725.db2.gz DFGNRBSBZQYXMO-UHFFFAOYSA-N 0 0 324.199 4.817 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2csc(-c3cccc(F)c3)n2)c1 ZINC000007846014 181502413 /nfs/dbraw/zinc/50/24/13/181502413.db2.gz XRAGGRUJFPLGSY-UHFFFAOYSA-N 0 0 300.314 4.524 20 5 DJBDRN O=[N+]([O-])c1cccc(COc2ccccc2-c2ccccc2)c1 ZINC000014738194 181968580 /nfs/dbraw/zinc/96/85/80/181968580.db2.gz YYOBEBJVPXUBOZ-UHFFFAOYSA-N 0 0 305.333 4.841 20 5 DJBDRN C[C@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000023380743 182359421 /nfs/dbraw/zinc/35/94/21/182359421.db2.gz WLJGYACJBBQIBB-CQSZACIVSA-N 0 0 321.380 4.576 20 5 DJBDRN Cc1ccc([C@@H](C)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000320462939 335031117 /nfs/dbraw/zinc/03/11/17/335031117.db2.gz ZRVDJEWDOAFWEW-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN O=[N+]([O-])c1ccc(CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000060382864 184147793 /nfs/dbraw/zinc/14/77/93/184147793.db2.gz JTMGQHVDBFHGNJ-UHFFFAOYSA-N 0 0 320.757 4.682 20 5 DJBDRN O=[N+]([O-])c1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000391743163 335088208 /nfs/dbraw/zinc/08/82/08/335088208.db2.gz SXZYAPHWYHJVBC-UHFFFAOYSA-N 0 0 320.348 4.999 20 5 DJBDRN C/C=C\c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000557936736 331826822 /nfs/dbraw/zinc/82/68/22/331826822.db2.gz PDDWMPNTMKDEHN-IHWYPQMZSA-N 0 0 316.744 4.534 20 5 DJBDRN C[C@H](SCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517960951 331980768 /nfs/dbraw/zinc/98/07/68/331980768.db2.gz JYSUOFMINNNEEJ-LBPRGKRZSA-N 0 0 321.373 4.607 20 5 DJBDRN CCC[C@@H](Nc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000314279836 333097992 /nfs/dbraw/zinc/09/79/92/333097992.db2.gz BGDUDWCIBKOOHY-OAHLLOKOSA-N 0 0 300.358 4.557 20 5 DJBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc2cc[nH]c21 ZINC000527302889 333204467 /nfs/dbraw/zinc/20/44/67/333204467.db2.gz NEFQUSOUIDMHHK-RAXLEYEMSA-N 0 0 307.353 4.592 20 5 DJBDRN Cc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000525756734 333234416 /nfs/dbraw/zinc/23/44/16/333234416.db2.gz WRGJGKHKQQDHOV-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN Cc1cc(N[C@@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000390553191 333298202 /nfs/dbraw/zinc/29/82/02/333298202.db2.gz KSCXDKOZXOYNAV-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000531443636 333353792 /nfs/dbraw/zinc/35/37/92/333353792.db2.gz GGPZYFKMKOPHNV-MNOVXSKESA-N 0 0 322.767 4.799 20 5 DJBDRN CC(C)COc1ccccc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000390969580 333412261 /nfs/dbraw/zinc/41/22/61/333412261.db2.gz DSJPVQJYPHAPCL-CQSZACIVSA-N 0 0 314.385 4.803 20 5 DJBDRN O=[N+]([O-])c1cc(F)ccc1NCc1csc2ccccc12 ZINC000048337136 333587334 /nfs/dbraw/zinc/58/73/34/333587334.db2.gz DOEODCBNXZSTKU-UHFFFAOYSA-N 0 0 302.330 4.561 20 5 DJBDRN CSc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000049963079 334359561 /nfs/dbraw/zinc/35/95/61/334359561.db2.gz OSRYNQCUEDRYTG-UHFFFAOYSA-N 0 0 308.790 4.582 20 5 DJBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000443405115 338450861 /nfs/dbraw/zinc/45/08/61/338450861.db2.gz IOOBCSVSIPVUSE-LURJTMIESA-N 0 0 318.185 4.531 20 5 DJBDRN C[C@@H]1C[C@@H]1[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000443523517 338453552 /nfs/dbraw/zinc/45/35/52/338453552.db2.gz PITPPKWEPVJREV-YDEJPDAXSA-N 0 0 323.805 4.514 20 5 DJBDRN CC[C@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000532587773 336256600 /nfs/dbraw/zinc/25/66/00/336256600.db2.gz WYMFAVMBVAOAAV-ZDUSSCGKSA-N 0 0 310.325 4.511 20 5 DJBDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000192724778 336260142 /nfs/dbraw/zinc/26/01/42/336260142.db2.gz DSRLSZXEYVXZMZ-VXGBXAGGSA-N 0 0 320.339 4.593 20 5 DJBDRN CSc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000301055660 336287558 /nfs/dbraw/zinc/28/75/58/336287558.db2.gz CXDWROYULGUOSS-UHFFFAOYSA-N 0 0 312.350 4.657 20 5 DJBDRN Cc1c2ccccc2oc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000301194381 336294272 /nfs/dbraw/zinc/29/42/72/336294272.db2.gz NLUYNTHUUWIFSO-GFCCVEGCSA-N 0 0 311.341 4.526 20 5 DJBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000301204790 336294870 /nfs/dbraw/zinc/29/48/70/336294870.db2.gz RVFINGFAPVEOPB-JTQLQIEISA-N 0 0 305.403 4.522 20 5 DJBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000301414697 336305241 /nfs/dbraw/zinc/30/52/41/336305241.db2.gz BEFNYHBBJQYYJL-CQSZACIVSA-N 0 0 319.364 4.830 20 5 DJBDRN COCc1cc([N+](=O)[O-])ccc1NCc1ccc2ccccc2c1 ZINC000301457433 336307969 /nfs/dbraw/zinc/30/79/69/336307969.db2.gz XKPLRCZULOBMNX-UHFFFAOYSA-N 0 0 322.364 4.507 20 5 DJBDRN Cc1nc(N[C@H](CC(C)C)c2cccs2)ccc1[N+](=O)[O-] ZINC000301630892 336319311 /nfs/dbraw/zinc/31/93/11/336319311.db2.gz CLNSNVXDGDTSOB-GFCCVEGCSA-N 0 0 305.403 4.559 20 5 DJBDRN Cc1nc(N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000301649321 336320684 /nfs/dbraw/zinc/32/06/84/336320684.db2.gz PBVVQOMXDJBYDS-INIZCTEOSA-N 0 0 317.776 4.515 20 5 DJBDRN Cc1nc2c(s1)[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000302013604 336343024 /nfs/dbraw/zinc/34/30/24/336343024.db2.gz DNWPFQLRINWJHG-ZDUSSCGKSA-N 0 0 323.805 4.503 20 5 DJBDRN Cc1cccc(NCc2ccc(-c3cccnc3)cc2)c1[N+](=O)[O-] ZINC000302481148 336359698 /nfs/dbraw/zinc/35/96/98/336359698.db2.gz GSCMVQGJWNIBQG-UHFFFAOYSA-N 0 0 319.364 4.577 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc2ncccc2c1 ZINC000302769448 336368327 /nfs/dbraw/zinc/36/83/27/336368327.db2.gz MJAZDYXEFAAKKR-UHFFFAOYSA-N 0 0 300.701 4.589 20 5 DJBDRN CC(C)CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000514559512 336376220 /nfs/dbraw/zinc/37/62/20/336376220.db2.gz PEFBJKITACMHPK-UHFFFAOYSA-N 0 0 306.409 4.554 20 5 DJBDRN O=[N+]([O-])c1cccc2nc(/C=C\c3cc(F)ccc3F)ccc21 ZINC000514572085 336382346 /nfs/dbraw/zinc/38/23/46/336382346.db2.gz QVHSEACWZXOEDM-XQRVVYSFSA-N 0 0 312.275 4.592 20 5 DJBDRN O=[N+]([O-])c1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000034990172 336385007 /nfs/dbraw/zinc/38/50/07/336385007.db2.gz WEWSFXGASNNIBX-MRXNPFEDSA-N 0 0 302.761 4.811 20 5 DJBDRN COc1cc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000389479557 336395489 /nfs/dbraw/zinc/39/54/89/336395489.db2.gz XABWSFHNZXBQOZ-LLVKDONJSA-N 0 0 320.776 4.738 20 5 DJBDRN Cc1cc(N[C@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000321628557 337280600 /nfs/dbraw/zinc/28/06/00/337280600.db2.gz VIJCBNBTZWIRHY-LLVKDONJSA-N 0 0 322.311 4.678 20 5 DJBDRN CO[C@H](CS[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000583765643 337331794 /nfs/dbraw/zinc/33/17/94/337331794.db2.gz AVWUNZOGBXLBDD-CXAGYDPISA-N 0 0 317.410 4.777 20 5 DJBDRN CC(C)c1nnc(CS[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000419543110 337488496 /nfs/dbraw/zinc/48/84/96/337488496.db2.gz TXIVARCPVCACSS-SNVBAGLBSA-N 0 0 323.443 4.564 20 5 DJBDRN O=c1[nH]c(SCc2ccccc2)nc2cc3ccccc3cc21 ZINC000432506975 338157879 /nfs/dbraw/zinc/15/78/79/338157879.db2.gz PMIIKFIDKSTZIR-UHFFFAOYSA-N 0 0 318.401 4.781 20 5 DJBDRN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)co2)cc1 ZINC000436244495 338263225 /nfs/dbraw/zinc/26/32/25/338263225.db2.gz RYHDXDMMPZLDIL-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN C[C@@H](SCc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000437263361 338305098 /nfs/dbraw/zinc/30/50/98/338305098.db2.gz AOADESRNOUWDPW-SNVBAGLBSA-N 0 0 309.337 4.867 20 5 DJBDRN CCCc1nc(CS[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000437268959 338305451 /nfs/dbraw/zinc/30/54/51/338305451.db2.gz QFLFUYBRTJTWIG-LLVKDONJSA-N 0 0 322.455 4.998 20 5 DJBDRN C[C@H](SCCOc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000437277264 338305815 /nfs/dbraw/zinc/30/58/15/338305815.db2.gz PXXGFLBRPATBLA-LBPRGKRZSA-N 0 0 321.373 4.607 20 5 DJBDRN Cc1nc(C)c(CS[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000437443721 338310445 /nfs/dbraw/zinc/31/04/45/338310445.db2.gz BXROQOYQVIBLMZ-SNVBAGLBSA-N 0 0 308.428 4.663 20 5 DJBDRN CCCCOc1cccc(N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000439561445 338373126 /nfs/dbraw/zinc/37/31/26/338373126.db2.gz HZQIFIYORILJAK-CQSZACIVSA-N 0 0 314.385 4.947 20 5 DJBDRN Cc1cc(C)cc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c1 ZINC000462221987 339074528 /nfs/dbraw/zinc/07/45/28/339074528.db2.gz KNLGNRUBFQESKD-UHFFFAOYSA-N 0 0 314.385 4.611 20 5 DJBDRN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000462778968 339088258 /nfs/dbraw/zinc/08/82/58/339088258.db2.gz RAUSAQLYKMCAAD-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000463053372 339103260 /nfs/dbraw/zinc/10/32/60/339103260.db2.gz LACWMTXVQWKTHX-CYBMUJFWSA-N 0 0 305.765 4.515 20 5 DJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cscc1-c1ccccc1 ZINC000463281420 339113128 /nfs/dbraw/zinc/11/31/28/339113128.db2.gz HQFSNSRCDKBPSP-UHFFFAOYSA-N 0 0 324.361 4.576 20 5 DJBDRN CC[C@]1(C)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000468259872 339257909 /nfs/dbraw/zinc/25/79/09/339257909.db2.gz IRQMTGYQDBOYET-OAQYLSRUSA-N 0 0 318.420 4.650 20 5 DJBDRN COC(C)(C)CCOc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000468509965 339264985 /nfs/dbraw/zinc/26/49/85/339264985.db2.gz CKELFVDWVHNSRM-UHFFFAOYSA-N 0 0 321.398 4.517 20 5 DJBDRN CC(/C=C/c1nc2ccccc2o1)=C/c1cccc([N+](=O)[O-])c1 ZINC000469111575 339280523 /nfs/dbraw/zinc/28/05/23/339280523.db2.gz WLQMTZQBJIPBTG-LTCRFSFDSA-N 0 0 306.321 4.853 20 5 DJBDRN Cc1cc(S[C@H](C)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000470866636 339329434 /nfs/dbraw/zinc/32/94/34/339329434.db2.gz NHKLNHYGPHDZMM-SNVBAGLBSA-N 0 0 308.790 4.805 20 5 DJBDRN Cc1c(CSCCCCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000473789408 339392008 /nfs/dbraw/zinc/39/20/08/339392008.db2.gz YEHPAIWVDCIRFK-UHFFFAOYSA-N 0 0 311.447 4.732 20 5 DJBDRN CC[C@H](C)n1ncc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1C ZINC000477923076 339504809 /nfs/dbraw/zinc/50/48/09/339504809.db2.gz NHZSZMGUIHZOLK-LRDDRELGSA-N 0 0 316.405 4.634 20 5 DJBDRN C[C@@H]1CCCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000479263009 339530117 /nfs/dbraw/zinc/53/01/17/339530117.db2.gz YVUUMNLZRHNPIS-OAHLLOKOSA-N 0 0 318.420 4.650 20 5 DJBDRN O=[N+]([O-])c1ccc(SCCC(F)(F)F)cc1C(F)(F)F ZINC000480787118 339587194 /nfs/dbraw/zinc/58/71/94/339587194.db2.gz QETVCQNEYRJEBH-UHFFFAOYSA-N 0 0 319.226 4.658 20 5 DJBDRN CC(=O)c1ccc2cc(OCc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000482744869 339641513 /nfs/dbraw/zinc/64/15/13/339641513.db2.gz NNLNGGIJGYXIAD-UHFFFAOYSA-N 0 0 321.332 4.530 20 5 DJBDRN CCN(CC(C)(C)C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000485446022 339703437 /nfs/dbraw/zinc/70/34/37/339703437.db2.gz MXQODMSHFHWJLE-UHFFFAOYSA-N 0 0 320.436 4.896 20 5 DJBDRN CC[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000498820526 340023853 /nfs/dbraw/zinc/02/38/53/340023853.db2.gz YXEDUJFMADHALZ-GFCCVEGCSA-N 0 0 322.311 4.759 20 5 DJBDRN C[C@H](c1ccc(Cl)cc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505615304 340173077 /nfs/dbraw/zinc/17/30/77/340173077.db2.gz SOXSLUXOTTZYIR-LLVKDONJSA-N 0 0 322.767 4.580 20 5 DJBDRN Cc1ccc(C)c([C@@H](C)N(C)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505790070 340178052 /nfs/dbraw/zinc/17/80/52/340178052.db2.gz KPOIEYJKFWIGQH-CQSZACIVSA-N 0 0 316.376 4.544 20 5 DJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1sccc1C(C)C ZINC000505999757 340182889 /nfs/dbraw/zinc/18/28/89/340182889.db2.gz NHROQHSKLCWHTA-UHFFFAOYSA-N 0 0 318.398 4.649 20 5 DJBDRN CCOC1CC(CS[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000507132790 340208727 /nfs/dbraw/zinc/20/87/27/340208727.db2.gz PDVUAUPYQCBDKB-OPFPJEHXSA-N 0 0 309.431 4.513 20 5 DJBDRN C[C@H](Nc1ccc(F)c(C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000507468660 340221214 /nfs/dbraw/zinc/22/12/14/340221214.db2.gz HOWCEAHVJOOZCB-NSHDSACASA-N 0 0 300.333 4.784 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000301242734 340249991 /nfs/dbraw/zinc/24/99/91/340249991.db2.gz TUGFBBDBDTYZMF-SNVBAGLBSA-N 0 0 310.275 4.787 20 5 DJBDRN COc1cc(CSc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000509082060 340260674 /nfs/dbraw/zinc/26/06/74/340260674.db2.gz LIJPXGFKOBHXGN-UHFFFAOYSA-N 0 0 321.423 4.618 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2cc(-c3ccccc3)no2)c1 ZINC000509089340 340261006 /nfs/dbraw/zinc/26/10/06/340261006.db2.gz JIBWRYAIVCTZLJ-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2cc(-c3ccccc3)on2)c1 ZINC000509665593 340276360 /nfs/dbraw/zinc/27/63/60/340276360.db2.gz GPVMXLCVEKWKCB-UHFFFAOYSA-N 0 0 312.350 4.542 20 5 DJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cc(F)ccc1F ZINC000511458763 340327721 /nfs/dbraw/zinc/32/77/21/340327721.db2.gz CWJKSAPVYQTYJS-UHFFFAOYSA-N 0 0 319.185 4.684 20 5 DJBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000513135232 340394707 /nfs/dbraw/zinc/39/47/07/340394707.db2.gz ICDMEASYRZSDMZ-AWEZNQCLSA-N 0 0 322.311 4.759 20 5 DJBDRN O=[N+]([O-])c1ccc(CSCc2ccc3ccccc3n2)cc1 ZINC000513820610 340426526 /nfs/dbraw/zinc/42/65/26/340426526.db2.gz SRBKZXZSZQTHBK-UHFFFAOYSA-N 0 0 310.378 4.576 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2nc3cc(Cl)ccc3n2C2CC2)c1 ZINC000513854992 340428522 /nfs/dbraw/zinc/42/85/22/340428522.db2.gz YALQEOJBYRLGDY-UHFFFAOYSA-N 0 0 313.744 4.600 20 5 DJBDRN CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc(-c2ccccc2)cc1 ZINC000517196836 340465252 /nfs/dbraw/zinc/46/52/52/340465252.db2.gz MFAGYGWOFYNACD-UHFFFAOYSA-N 0 0 323.352 4.579 20 5 DJBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000315952334 340677600 /nfs/dbraw/zinc/67/76/00/340677600.db2.gz YPGFYEWYHSVXEV-JTQLQIEISA-N 0 0 310.275 4.787 20 5 DJBDRN C[C@H](Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176941 340769359 /nfs/dbraw/zinc/76/93/59/340769359.db2.gz PHOWQDHCSJGUBF-JTQLQIEISA-N 0 0 321.174 4.530 20 5 DJBDRN CSc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540709338 340942697 /nfs/dbraw/zinc/94/26/97/340942697.db2.gz LOLRHZSICZSZGR-GFCCVEGCSA-N 0 0 302.399 4.798 20 5 DJBDRN COc1ccccc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000543861143 341061963 /nfs/dbraw/zinc/06/19/63/341061963.db2.gz DDTHGPWWHTVCOV-UHFFFAOYSA-N 0 0 309.774 4.549 20 5 DJBDRN O=[N+]([O-])c1cccc(-c2nc(-c3ccc4sccc4c3)no2)c1 ZINC000545697258 341136878 /nfs/dbraw/zinc/13/68/78/341136878.db2.gz TYTZKRJPRVAULW-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2noc(-c3ccc4sccc4c3)n2)cc1 ZINC000546258172 341159910 /nfs/dbraw/zinc/15/99/10/341159910.db2.gz JSYYQCQPLWEELP-UHFFFAOYSA-N 0 0 323.333 4.527 20 5 DJBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2C)no1 ZINC000546260528 341160142 /nfs/dbraw/zinc/16/01/42/341160142.db2.gz ODXCCOXUUCUVDI-QBFSEMIESA-N 0 0 321.336 4.514 20 5 DJBDRN C[C@H](SCc1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000135395725 341238605 /nfs/dbraw/zinc/23/86/05/341238605.db2.gz UMITWDTZORHDPX-JTQLQIEISA-N 0 0 320.439 4.923 20 5 DJBDRN Cc1ccc([C@@H](C)N[C@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000079723070 341264531 /nfs/dbraw/zinc/26/45/31/341264531.db2.gz KGPAQHMSYXIRCE-VXGBXAGGSA-N 0 0 320.339 4.593 20 5 DJBDRN C[C@@H]1OCC[C@@H]1SCc1nc2ccccc2c2ccccc12 ZINC000549929802 341307056 /nfs/dbraw/zinc/30/70/56/341307056.db2.gz SCOYNHZCXUONCX-DJJJIMSYSA-N 0 0 309.434 4.799 20 5 DJBDRN O=[N+]([O-])c1ccc(SC(c2ccccc2)c2ccccc2)cn1 ZINC000550709356 341321900 /nfs/dbraw/zinc/32/19/00/341321900.db2.gz ACGPCFWAVNKSON-UHFFFAOYSA-N 0 0 322.389 4.872 20 5 DJBDRN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000090963239 341420846 /nfs/dbraw/zinc/42/08/46/341420846.db2.gz DJLBASLGHYRJFE-RYUDHWBXSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccccc1OC(F)F ZINC000554354762 341450937 /nfs/dbraw/zinc/45/09/37/341450937.db2.gz IGPJOLQMXUSTAR-NSHDSACASA-N 0 0 322.311 4.678 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2nc(CSCCCCCF)co2)cc1 ZINC000556295900 341501019 /nfs/dbraw/zinc/50/10/19/341501019.db2.gz UWOBBEIYSQTJKA-UHFFFAOYSA-N 0 0 324.377 4.623 20 5 DJBDRN CC(=O)c1cc(N[C@@H](C)c2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000575080576 341775870 /nfs/dbraw/zinc/77/58/70/341775870.db2.gz UEPMOEKYFWWMGV-ZDUSSCGKSA-N 0 0 312.369 4.587 20 5 DJBDRN C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178661469 341961167 /nfs/dbraw/zinc/96/11/67/341961167.db2.gz YINMQJMUDZREHJ-QWRGUYRKSA-N 0 0 322.767 4.799 20 5 DJBDRN CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006214416 181319462 /nfs/dbraw/zinc/31/94/62/181319462.db2.gz ULLSFZHIORGUNZ-AWNIVKPZSA-N 0 0 324.380 4.544 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C/c1nc2cc(Cl)ccc2o1 ZINC000008321198 181547110 /nfs/dbraw/zinc/54/71/10/181547110.db2.gz KQTYWGYZYKFSNI-VMPITWQZSA-N 0 0 300.701 4.560 20 5 DJBDRN Cc1cc(SCc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000025114757 182401276 /nfs/dbraw/zinc/40/12/76/182401276.db2.gz UCGZGUNRXVKSIM-UHFFFAOYSA-N 0 0 310.378 4.744 20 5 DJBDRN Cc1csc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000057366420 184036367 /nfs/dbraw/zinc/03/63/67/184036367.db2.gz CGVOFOGQPVTPSD-UHFFFAOYSA-N 0 0 320.317 4.530 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000071971760 184915769 /nfs/dbraw/zinc/91/57/69/184915769.db2.gz MVRISWNFMDPSOO-UHFFFAOYSA-N 0 0 300.314 4.524 20 5 DJBDRN Cc1ccc2cccc(N[C@H](C)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000320517016 335069660 /nfs/dbraw/zinc/06/96/60/335069660.db2.gz FWZSMNMQRFAIKY-CYBMUJFWSA-N 0 0 307.353 4.625 20 5 DJBDRN O=[N+]([O-])c1ccc(Oc2ccccc2OC(F)F)c(Cl)c1 ZINC000584248302 331953184 /nfs/dbraw/zinc/95/31/84/331953184.db2.gz JYEZYWVPSXYWQS-UHFFFAOYSA-N 0 0 315.659 4.642 20 5 DJBDRN CSc1ccccc1[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000409658770 332044303 /nfs/dbraw/zinc/04/43/03/332044303.db2.gz ZAPCQVYDBKYJAJ-SECBINFHSA-N 0 0 323.805 4.538 20 5 DJBDRN CC(C)OCc1cccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000525761190 333240875 /nfs/dbraw/zinc/24/08/75/333240875.db2.gz BONUIOTXJDOOOE-AWEZNQCLSA-N 0 0 314.385 4.693 20 5 DJBDRN CC[C@@H](Nc1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000319069267 333252938 /nfs/dbraw/zinc/25/29/38/333252938.db2.gz PIFRTFWBILHNSS-OAHLLOKOSA-N 0 0 320.776 4.820 20 5 DJBDRN C/C=C\c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000497721251 333282464 /nfs/dbraw/zinc/28/24/64/333282464.db2.gz CGRQDKYDENIYMQ-ARJAWSKDSA-N 0 0 303.289 4.568 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2ccc(-c3ccccc3)cc2)cc1 ZINC000390589262 333303854 /nfs/dbraw/zinc/30/38/54/333303854.db2.gz ZRHRDDPKAVPPIT-UHFFFAOYSA-N 0 0 304.349 4.874 20 5 DJBDRN CC[C@@H](C)Oc1cccc(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000391940895 335136300 /nfs/dbraw/zinc/13/63/00/335136300.db2.gz OFGZYRVTRICQFP-GFCCVEGCSA-N 0 0 318.348 4.523 20 5 DJBDRN Cc1c(CSCc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000522758344 333385854 /nfs/dbraw/zinc/38/58/54/333385854.db2.gz SRSURQPCHJHDPF-UHFFFAOYSA-N 0 0 309.337 4.615 20 5 DJBDRN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000021506170 333424124 /nfs/dbraw/zinc/42/41/24/333424124.db2.gz QIDGGPOHUFHUNZ-SNVBAGLBSA-N 0 0 321.174 4.530 20 5 DJBDRN Cc1ccc([C@H](C)NCc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000187581960 334265800 /nfs/dbraw/zinc/26/58/00/334265800.db2.gz WRLFFBOPIJQGJI-NSHDSACASA-N 0 0 322.767 4.547 20 5 DJBDRN O=[N+]([O-])c1ccc(-c2nc(CSC3CCCCC3)co2)cc1 ZINC000534790076 334338976 /nfs/dbraw/zinc/33/89/76/334338976.db2.gz ZUOQERFSKKBNPA-UHFFFAOYSA-N 0 0 318.398 4.816 20 5 DJBDRN Cc1c([C@H](C)Nc2ccc3ccn(C)c3c2)cccc1[N+](=O)[O-] ZINC000443093405 338444219 /nfs/dbraw/zinc/44/42/19/338444219.db2.gz MCKGCHIFPFQJDL-ZDUSSCGKSA-N 0 0 309.369 4.568 20 5 DJBDRN O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(C(F)(F)F)cc1 ZINC000112653516 334720917 /nfs/dbraw/zinc/72/09/17/334720917.db2.gz YBQVDJQQPIZTBA-UHFFFAOYSA-N 0 0 320.270 4.617 20 5 DJBDRN O=[N+]([O-])c1ccccc1CNc1ccccc1Oc1ccccc1 ZINC000323873610 335645496 /nfs/dbraw/zinc/64/54/96/335645496.db2.gz SEGBIZGUPRUNDI-UHFFFAOYSA-N 0 0 320.348 4.999 20 5 DJBDRN Cc1ccc(OCc2csc(C3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000520165562 335923404 /nfs/dbraw/zinc/92/34/04/335923404.db2.gz MNOCQBQAQIHBFT-UHFFFAOYSA-N 0 0 318.398 4.596 20 5 DJBDRN COc1ccc2cc(CNc3ccc([N+](=O)[O-])c(C)c3)ccc2c1 ZINC000324646341 336239733 /nfs/dbraw/zinc/23/97/33/336239733.db2.gz YNATYHIRPFJOOD-UHFFFAOYSA-N 0 0 322.364 4.677 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000532442732 336247643 /nfs/dbraw/zinc/24/76/43/336247643.db2.gz URIJFDGNIZUSGY-AUUYWEPGSA-N 0 0 310.397 4.631 20 5 DJBDRN CC[C@H](NCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000532463850 336249096 /nfs/dbraw/zinc/24/90/96/336249096.db2.gz QJBSRXGWKYIMHR-INIZCTEOSA-N 0 0 322.767 4.628 20 5 DJBDRN CCC[C@H](Nc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000192704011 336258902 /nfs/dbraw/zinc/25/89/02/336258902.db2.gz LIKJXAGLUAUHSG-SFHVURJKSA-N 0 0 314.385 4.695 20 5 DJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000301173345 336293227 /nfs/dbraw/zinc/29/32/27/336293227.db2.gz FJVRLPYXWIXRFR-SECBINFHSA-N 0 0 323.393 4.661 20 5 DJBDRN Cc1cc(N[C@@H](C)c2cccc3ccccc32)ncc1[N+](=O)[O-] ZINC000301428245 336306080 /nfs/dbraw/zinc/30/60/80/336306080.db2.gz MTWCKZSOGOYRDD-ZDUSSCGKSA-N 0 0 307.353 4.625 20 5 DJBDRN O=[N+]([O-])c1ccc(Cl)cc1Oc1nc(C(F)(F)F)cs1 ZINC000301723192 336325668 /nfs/dbraw/zinc/32/56/68/336325668.db2.gz KRXLDWNNNJBDSI-UHFFFAOYSA-N 0 0 324.667 4.516 20 5 DJBDRN O=Cc1cc(Cl)c(Oc2ccccc2[N+](=O)[O-])cc1Cl ZINC000301823167 336332317 /nfs/dbraw/zinc/33/23/17/336332317.db2.gz CIMBCFFKOYHZOY-UHFFFAOYSA-N 0 0 312.108 4.506 20 5 DJBDRN O=[N+]([O-])c1cc(F)ccc1Oc1ccc(-c2ccccc2)nc1 ZINC000301936545 336338854 /nfs/dbraw/zinc/33/88/54/336338854.db2.gz QJKNWBTVVUMNBM-UHFFFAOYSA-N 0 0 310.284 4.588 20 5 DJBDRN Cc1nc2c(s1)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000302036443 336344566 /nfs/dbraw/zinc/34/45/66/336344566.db2.gz PONTXMVAKPEVJU-LBPRGKRZSA-N 0 0 323.805 4.503 20 5 DJBDRN CCOc1cc(NCc2ccc(C(F)F)cc2)ccc1[N+](=O)[O-] ZINC000302148314 336350902 /nfs/dbraw/zinc/35/09/02/336350902.db2.gz AKBMCKZKJNQOBK-UHFFFAOYSA-N 0 0 322.311 4.543 20 5 DJBDRN Cc1cc(NCc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000314716375 336375953 /nfs/dbraw/zinc/37/59/53/336375953.db2.gz UCOAQUTYMAIZGG-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN O=[N+]([O-])c1cccc2nc(/C=C/c3cc(F)ccc3F)ccc21 ZINC000514572084 336382296 /nfs/dbraw/zinc/38/22/96/336382296.db2.gz QVHSEACWZXOEDM-GQCTYLIASA-N 0 0 312.275 4.592 20 5 DJBDRN CCCOc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC000314733822 336382459 /nfs/dbraw/zinc/38/24/59/336382459.db2.gz QYQFOBFEGHWCFA-UHFFFAOYSA-N 0 0 320.776 4.649 20 5 DJBDRN COc1ccc2ccccc2c1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000392060137 336383392 /nfs/dbraw/zinc/38/33/92/336383392.db2.gz CBPZNPMJNGSTNB-UHFFFAOYSA-N 0 0 322.364 4.677 20 5 DJBDRN CCOc1cc(N[C@@H]2CCCc3sccc32)ccc1[N+](=O)[O-] ZINC000301201388 337386316 /nfs/dbraw/zinc/38/63/16/337386316.db2.gz QJLSINJFXSJGBE-CYBMUJFWSA-N 0 0 318.398 4.545 20 5 DJBDRN Cc1cc([C@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])c(C)s1 ZINC000107904539 337832946 /nfs/dbraw/zinc/83/29/46/337832946.db2.gz JBNIXUNSNLZQDC-JTQLQIEISA-N 0 0 324.833 4.777 20 5 DJBDRN Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000108055919 337833623 /nfs/dbraw/zinc/83/36/23/337833623.db2.gz LRLRGTYTNWDLCS-UHFFFAOYSA-N 0 0 310.275 4.534 20 5 DJBDRN CSCc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537531464 337940875 /nfs/dbraw/zinc/94/08/75/337940875.db2.gz PLKFWNSDEZEBLK-ZDUSSCGKSA-N 0 0 316.426 4.939 20 5 DJBDRN CCc1nc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000437259850 338305029 /nfs/dbraw/zinc/30/50/29/338305029.db2.gz OZJVPIAJMNWZHO-JTQLQIEISA-N 0 0 308.428 4.608 20 5 DJBDRN Cc1ccc(-c2ncc(/C=C/c3ccc([N+](=O)[O-])cn3)s2)cc1 ZINC000439528405 338372582 /nfs/dbraw/zinc/37/25/82/338372582.db2.gz QOBVNHWGFDZONM-VQHVLOKHSA-N 0 0 323.377 4.592 20 5 DJBDRN CSc1ccccc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000440645625 338394097 /nfs/dbraw/zinc/39/40/97/338394097.db2.gz GGNPISITIDEROP-VIFPVBQESA-N 0 0 323.805 4.538 20 5 DJBDRN O=[N+]([O-])c1ccc(CNc2ccc3ccoc3c2)c(Cl)c1 ZINC000442861101 338435571 /nfs/dbraw/zinc/43/55/71/338435571.db2.gz CYIFDMWRBIDYLX-UHFFFAOYSA-N 0 0 302.717 4.607 20 5 DJBDRN Cc1ccc(CNc2ccccc2C(C)(F)F)cc1[N+](=O)[O-] ZINC000449476690 338628653 /nfs/dbraw/zinc/62/86/53/338628653.db2.gz VWVDFOPMCMMSAV-UHFFFAOYSA-N 0 0 306.312 4.627 20 5 DJBDRN Cc1c(CNc2ccccc2C(C)(F)F)cccc1[N+](=O)[O-] ZINC000453158115 338800788 /nfs/dbraw/zinc/80/07/88/338800788.db2.gz KKAKAXQYFGZPPA-UHFFFAOYSA-N 0 0 306.312 4.627 20 5 DJBDRN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000461112834 339059622 /nfs/dbraw/zinc/05/96/22/339059622.db2.gz XPZCHBQDQDZVAO-AWEZNQCLSA-N 0 0 322.767 4.628 20 5 DJBDRN Cc1cc(NCc2ccc(C(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000461934505 339069066 /nfs/dbraw/zinc/06/90/66/339069066.db2.gz JTBUAZNIVQQCBY-UHFFFAOYSA-N 0 0 310.275 4.592 20 5 DJBDRN Cc1cnc(Oc2ccc(Cl)c3ccccc23)c([N+](=O)[O-])c1 ZINC000463054211 339103316 /nfs/dbraw/zinc/10/33/16/339103316.db2.gz LSGHGBWZKIYJEO-UHFFFAOYSA-N 0 0 314.728 4.897 20 5 DJBDRN Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000463058607 339103569 /nfs/dbraw/zinc/10/35/69/339103569.db2.gz WQYZRGHXXFTPON-UHFFFAOYSA-N 0 0 322.320 4.883 20 5 DJBDRN COc1ccccc1[C@H](C)Sc1ncc([N+](=O)[O-])cc1Cl ZINC000463077107 339104722 /nfs/dbraw/zinc/10/47/22/339104722.db2.gz FJIUBYRHHCOGBZ-VIFPVBQESA-N 0 0 324.789 4.505 20 5 DJBDRN COc1ccccc1[C@@H](C)Sc1ccc(F)cc1[N+](=O)[O-] ZINC000463077100 339104768 /nfs/dbraw/zinc/10/47/68/339104768.db2.gz FFWPBQNLHCBOLG-SNVBAGLBSA-N 0 0 307.346 4.596 20 5 DJBDRN C[C@H](Sc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000463278213 339113003 /nfs/dbraw/zinc/11/30/03/339113003.db2.gz MQTCMKUDAYLKGL-LBPRGKRZSA-N 0 0 310.378 4.996 20 5 DJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C/C=C\c1ccc(C)cc1 ZINC000464717591 339149786 /nfs/dbraw/zinc/14/97/86/339149786.db2.gz YLWZDYCHDNGIRP-PLNGDYQASA-N 0 0 324.380 4.508 20 5 DJBDRN CCC(C)(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000469052718 339278737 /nfs/dbraw/zinc/27/87/37/339278737.db2.gz RIVUXVRKHMUPIH-UHFFFAOYSA-N 0 0 312.369 4.535 20 5 DJBDRN CCc1ccc(C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000471278491 339341811 /nfs/dbraw/zinc/34/18/11/339341811.db2.gz PERDXVAVSPHCMK-UHFFFAOYSA-N 0 0 312.369 4.533 20 5 DJBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1cnc2ccccc2c1 ZINC000471628666 339349965 /nfs/dbraw/zinc/34/99/65/339349965.db2.gz NJOVMQOPCRGLDG-UHFFFAOYSA-N 0 0 300.701 4.589 20 5 DJBDRN O=[N+]([O-])c1cnc(Nc2cccc(Nc3ccccc3)c2)s1 ZINC000472354979 339370802 /nfs/dbraw/zinc/37/08/02/339370802.db2.gz XEAMFFIFICYIIR-UHFFFAOYSA-N 0 0 312.354 4.539 20 5 DJBDRN C[C@H](Sc1ncc(C(C)(C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC000474400273 339412709 /nfs/dbraw/zinc/41/27/09/339412709.db2.gz SJVVOUBWLZFTOE-JTQLQIEISA-N 0 0 306.387 4.734 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000477500312 339496110 /nfs/dbraw/zinc/49/61/10/339496110.db2.gz FMVSTRHCURNHFM-UHFFFAOYSA-N 0 0 318.398 4.515 20 5 DJBDRN CC[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000478292947 339512731 /nfs/dbraw/zinc/51/27/31/339512731.db2.gz YBHBNCSXQVACNF-HNNXBMFYSA-N 0 0 318.420 4.650 20 5 DJBDRN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000478427193 339515115 /nfs/dbraw/zinc/51/51/15/339515115.db2.gz MKFRMVSQZDCTIY-WDEREUQCSA-N 0 0 322.767 4.799 20 5 DJBDRN C[C@@H](N[C@@H](C)c1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000478427189 339515178 /nfs/dbraw/zinc/51/51/78/339515178.db2.gz MKFRMVSQZDCTIY-MNOVXSKESA-N 0 0 322.767 4.799 20 5 DJBDRN Cc1oc2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2c1C ZINC000478986869 339525806 /nfs/dbraw/zinc/52/58/06/339525806.db2.gz HOZVBEWPZCVUMH-UHFFFAOYSA-N 0 0 324.336 4.519 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nccn1C(C)C ZINC000484661710 339691900 /nfs/dbraw/zinc/69/19/00/339691900.db2.gz DCBVQZOULHRDJN-GFCCVEGCSA-N 0 0 305.403 4.534 20 5 DJBDRN O=[N+]([O-])c1cc(CNc2cc(Cl)c(Cl)cc2F)cs1 ZINC000486919778 339738088 /nfs/dbraw/zinc/73/80/88/339738088.db2.gz MCJSTIWBUIGYKS-UHFFFAOYSA-N 0 0 321.160 4.714 20 5 DJBDRN O=[N+]([O-])c1cnc2ccccc2c1Oc1ccc(Cl)cc1F ZINC000487903038 339765318 /nfs/dbraw/zinc/76/53/18/339765318.db2.gz BSRGPVBPBXBTIV-UHFFFAOYSA-N 0 0 318.691 4.728 20 5 DJBDRN CC(C)(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000489176493 339803045 /nfs/dbraw/zinc/80/30/45/339803045.db2.gz OHVCYAUERFKKNP-ZDUSSCGKSA-N 0 0 313.401 4.548 20 5 DJBDRN C[C@H](CSCc1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000490913918 339843515 /nfs/dbraw/zinc/84/35/15/339843515.db2.gz TUFYKNJWSKMPCA-SSDOTTSWSA-N 0 0 313.728 4.680 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000492727977 339907533 /nfs/dbraw/zinc/90/75/33/339907533.db2.gz LZROMRSMSPZYOA-NWDGAFQWSA-N 0 0 320.339 4.593 20 5 DJBDRN Cc1ccccc1[C@@H](C)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000498842139 340024293 /nfs/dbraw/zinc/02/42/93/340024293.db2.gz DHEXWMHNTJFPOP-CQSZACIVSA-N 0 0 321.380 4.649 20 5 DJBDRN C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C ZINC000501626198 340085336 /nfs/dbraw/zinc/08/53/36/340085336.db2.gz IGBJTTYPWKEXCN-LSDHHAIUSA-N 0 0 318.420 4.506 20 5 DJBDRN C[C@@H](Sc1ccc(N)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000502128791 340095744 /nfs/dbraw/zinc/09/57/44/340095744.db2.gz QUZBAMWBFJDQNB-SECBINFHSA-N 0 0 308.790 4.684 20 5 DJBDRN O=[N+]([O-])c1cccc(F)c1COc1c(Cl)cccc1Cl ZINC000504536111 340148842 /nfs/dbraw/zinc/14/88/42/340148842.db2.gz LDJIXNXZDIXJML-UHFFFAOYSA-N 0 0 316.115 4.620 20 5 DJBDRN O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000506112053 340185936 /nfs/dbraw/zinc/18/59/36/340185936.db2.gz GJLYNYHLMXJHEP-NKPXIPJASA-N 0 0 314.410 4.507 20 5 DJBDRN C[C@@H](SCCOc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000507879946 340235104 /nfs/dbraw/zinc/23/51/04/340235104.db2.gz MODGWXRACNNIKE-GFCCVEGCSA-N 0 0 321.373 4.607 20 5 DJBDRN O=[N+]([O-])c1cccc(SCc2cc(-c3cccs3)on2)c1 ZINC000509653800 340275856 /nfs/dbraw/zinc/27/58/56/340275856.db2.gz VPFMVBAEUCHETB-UHFFFAOYSA-N 0 0 318.379 4.604 20 5 DJBDRN C/C=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000513081251 340392486 /nfs/dbraw/zinc/39/24/86/340392486.db2.gz HWTOLRCETJBKQF-ARJAWSKDSA-N 0 0 303.289 4.568 20 5 DJBDRN C[C@@H](Sc1ccc(N)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000513305193 340401607 /nfs/dbraw/zinc/40/16/07/340401607.db2.gz QIUXWDHDGIKGOH-SECBINFHSA-N 0 0 308.790 4.684 20 5 DJBDRN CCC(CC)n1ccc(CSCc2ccc([N+](=O)[O-])cc2)n1 ZINC000513814622 340426322 /nfs/dbraw/zinc/42/63/22/340426322.db2.gz COSPNSJSTHPTRA-UHFFFAOYSA-N 0 0 319.430 4.586 20 5 DJBDRN CC[C@@H](C)[C@H](C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000195646056 340584121 /nfs/dbraw/zinc/58/41/21/340584121.db2.gz RQSRBLPHBPFJAK-KGLIPLIRSA-N 0 0 306.409 4.552 20 5 DJBDRN CC[C@H](C)[C@H](C)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000195646057 340584196 /nfs/dbraw/zinc/58/41/96/340584196.db2.gz RQSRBLPHBPFJAK-KBPBESRZSA-N 0 0 306.409 4.552 20 5 DJBDRN CCCCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](C)CCC ZINC000524681072 340660982 /nfs/dbraw/zinc/66/09/82/340660982.db2.gz SNECROCCHJROER-CYBMUJFWSA-N 0 0 324.396 4.555 20 5 DJBDRN O=[N+]([O-])c1cccc2c1ccn2Cc1cccc(C(F)(F)F)c1 ZINC000322621200 340705486 /nfs/dbraw/zinc/70/54/86/340705486.db2.gz PAVLSGRYGVGASC-UHFFFAOYSA-N 0 0 320.270 4.617 20 5 DJBDRN CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000540339599 340927632 /nfs/dbraw/zinc/92/76/32/340927632.db2.gz PISBYKZQECHDER-BDJLRTHQSA-N 0 0 320.339 4.675 20 5 DJBDRN C/C(=C/c1nc(-c2ccccc2C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546966559 341189094 /nfs/dbraw/zinc/18/90/94/341189094.db2.gz RZCGPJCKKXFTTP-QBFSEMIESA-N 0 0 321.336 4.514 20 5 DJBDRN O=[N+]([O-])c1cc(CNc2ccccc2OC2CCCC2)cs1 ZINC000237979592 341224203 /nfs/dbraw/zinc/22/42/03/341224203.db2.gz VOLYMBBZWQEZCW-UHFFFAOYSA-N 0 0 318.398 4.590 20 5 DJBDRN C[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000078991449 341251409 /nfs/dbraw/zinc/25/14/09/341251409.db2.gz ZQGPXKHZWJZZPK-KUHUBIRLSA-N 0 0 322.364 4.628 20 5 DJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(Cl)cc1F ZINC000548635779 341268187 /nfs/dbraw/zinc/26/81/87/341268187.db2.gz VOSGPXPIBYTRBK-LLVKDONJSA-N 0 0 322.767 4.547 20 5 DJBDRN c1ccc2c(c1)nc(CSC1CCOCC1)c1ccccc21 ZINC000550197883 341312168 /nfs/dbraw/zinc/31/21/68/341312168.db2.gz PJARTSORCFACDI-UHFFFAOYSA-N 0 0 309.434 4.800 20 5 DJBDRN Cc1ccccc1C(C)(C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000550262656 341313712 /nfs/dbraw/zinc/31/37/12/341313712.db2.gz MHKMBJHIICIUES-UHFFFAOYSA-N 0 0 318.804 4.582 20 5 DJBDRN CCCc1nc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000552468116 341395218 /nfs/dbraw/zinc/39/52/18/341395218.db2.gz BMOBTCGXHSBQLZ-LLVKDONJSA-N 0 0 322.455 4.998 20 5 DJBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)o1 ZINC000089511935 341405230 /nfs/dbraw/zinc/40/52/30/341405230.db2.gz YQNLQCQSDDMCIQ-CQSZACIVSA-N 0 0 322.364 4.706 20 5 DJBDRN C[C@@H](Nc1ccc(-c2ccccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000572537249 341429335 /nfs/dbraw/zinc/42/93/35/341429335.db2.gz GUBLQGSLLIIFIF-CQSZACIVSA-N 0 0 319.364 4.830 20 5 DJBDRN CC(=O)c1cc(NCc2ccc(C3CCC3)cc2)ccc1[N+](=O)[O-] ZINC000553582610 341431938 /nfs/dbraw/zinc/43/19/38/341431938.db2.gz BNLFJYVWWLDHLG-UHFFFAOYSA-N 0 0 324.380 4.677 20 5 DJBDRN CO[C@@H](C)c1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000565381106 341525657 /nfs/dbraw/zinc/52/56/57/341525657.db2.gz OMEVPZWZIBIBDA-KGLIPLIRSA-N 0 0 314.385 4.784 20 5 DJBDRN CSCc1ccc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000573933440 341743603 /nfs/dbraw/zinc/74/36/03/341743603.db2.gz GFIKMYLKUKTAIH-MRXNPFEDSA-N 0 0 314.410 4.557 20 5 DJBDRN