smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1CC(Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225623774 941890588 /nfs/dbraw/zinc/89/05/88/941890588.db2.gz SIJSYHRFINHCRE-UHFFFAOYSA-N 0 2 252.270 1.772 20 5 CDBDLN CSc1nc(OCCOC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625159 942199359 /nfs/dbraw/zinc/19/93/59/942199359.db2.gz QTZXARMXBKDXHB-UHFFFAOYSA-N 0 2 289.313 1.616 20 5 CDBDLN CCCOC(=O)[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228970221 942401784 /nfs/dbraw/zinc/40/17/84/942401784.db2.gz HWSSFTHQUXIVPI-ZETCQYMHSA-N 0 2 285.252 1.727 20 5 CDBDLN CO[C@H](C)CCOc1[nH]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231259214 942836981 /nfs/dbraw/zinc/83/69/81/942836981.db2.gz HKYFCCYKLHAJLA-MRVPVSSYSA-N 0 2 256.258 1.808 20 5 CDBDLN CONC(=O)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001336843598 960654525 /nfs/dbraw/zinc/65/45/25/960654525.db2.gz PVBMNWXNJJLZPG-UHFFFAOYSA-N 0 2 275.211 1.622 20 5 CDBDLN Cc1c(C[N@@H+]2CCO[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000091296703 349725115 /nfs/dbraw/zinc/72/51/15/349725115.db2.gz WOJQZNMMVTXOBO-GFCCVEGCSA-N 0 2 294.307 1.579 20 5 CDBDLN Cc1c(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000091296703 349725119 /nfs/dbraw/zinc/72/51/19/349725119.db2.gz WOJQZNMMVTXOBO-GFCCVEGCSA-N 0 2 294.307 1.579 20 5 CDBDLN O=C(N[C@]12C[C@H]1CCC2)c1cc([N+](=O)[O-])ccc1O ZINC000597891421 343659714 /nfs/dbraw/zinc/65/97/14/343659714.db2.gz WDCIWGAAULAVTD-AMIZOPFISA-N 0 2 262.265 1.973 20 5 CDBDLN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)CO ZINC000293542692 362575398 /nfs/dbraw/zinc/57/53/98/362575398.db2.gz BBXYPZYQBPBNHZ-MRVPVSSYSA-N 0 2 268.269 1.143 20 5 CDBDLN CC[C@H](COC)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000151302333 187956125 /nfs/dbraw/zinc/95/61/25/187956125.db2.gz ZMGJZMZUQSWUAA-SNVBAGLBSA-N 0 2 282.296 1.758 20 5 CDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1CCO ZINC000336832513 356287049 /nfs/dbraw/zinc/28/70/49/356287049.db2.gz FPRLWFJYUYHLHE-JTQLQIEISA-N 0 2 280.280 1.287 20 5 CDBDLN CCN(C[C@H](C)O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000341395923 357259468 /nfs/dbraw/zinc/25/94/68/357259468.db2.gz IIZRPUYGAKCYBQ-QMMMGPOBSA-N 0 2 268.269 1.143 20 5 CDBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCS1 ZINC000185184354 357519480 /nfs/dbraw/zinc/51/94/80/357519480.db2.gz UOYUJUSMPJXLOB-MRVPVSSYSA-N 0 2 282.321 1.878 20 5 CDBDLN CO[C@@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286654940 357656059 /nfs/dbraw/zinc/65/60/59/357656059.db2.gz WQFQWBAHAQCEKR-QMMMGPOBSA-N 0 2 268.269 1.407 20 5 CDBDLN C/C=C/C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187576534 357781649 /nfs/dbraw/zinc/78/16/49/357781649.db2.gz UPRAYMZPEFVGPP-HPOULIHZSA-N 0 2 280.280 1.357 20 5 CDBDLN COCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293877146 358432832 /nfs/dbraw/zinc/43/28/32/358432832.db2.gz YSSSLDOLLDSFEM-UHFFFAOYSA-N 0 2 282.296 1.703 20 5 CDBDLN Cc1nnsc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436731303 359517897 /nfs/dbraw/zinc/51/78/97/359517897.db2.gz JXDKMDKQPYWVQB-UHFFFAOYSA-N 0 2 294.292 1.390 20 5 CDBDLN CS[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000296942426 200041936 /nfs/dbraw/zinc/04/19/36/200041936.db2.gz OJQQFHGUHZTKKP-VIFPVBQESA-N 0 2 282.321 1.878 20 5 CDBDLN CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000297114791 200088234 /nfs/dbraw/zinc/08/82/34/200088234.db2.gz ONZUZQQBMVWHFG-UHFFFAOYSA-N 0 2 279.296 1.123 20 5 CDBDLN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000180835655 189277900 /nfs/dbraw/zinc/27/79/00/189277900.db2.gz QBVLDJGZNGQCKW-UHFFFAOYSA-N 0 2 264.237 1.009 20 5 CDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCOC1 ZINC000334087262 296105195 /nfs/dbraw/zinc/10/51/95/296105195.db2.gz MTSGRJQPRBZPLH-RKDXNWHRSA-N 0 2 280.280 1.455 20 5 CDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCCCO1 ZINC000272264738 296105301 /nfs/dbraw/zinc/10/53/01/296105301.db2.gz RBYTZOPRMLKEGW-RNCFNFMXSA-N 0 2 294.307 1.988 20 5 CDBDLN CC(C)(C)OC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272415686 367723769 /nfs/dbraw/zinc/72/37/69/367723769.db2.gz PLBZGHUPSINENF-UHFFFAOYSA-N 0 2 296.279 1.372 20 5 CDBDLN CCC1(O)CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000331933120 204310232 /nfs/dbraw/zinc/31/02/32/204310232.db2.gz IRKXYWBUERHXGY-UHFFFAOYSA-N 0 2 296.348 1.914 20 5 CDBDLN COCCOCc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000278131364 374831735 /nfs/dbraw/zinc/83/17/35/374831735.db2.gz PWLVTLLQQXJDPQ-UHFFFAOYSA-N 0 2 295.251 1.513 20 5 CDBDLN CCc1ccc(C(=O)N=c2cccn[nH]2)cc1[N+](=O)[O-] ZINC000471929210 375057711 /nfs/dbraw/zinc/05/77/11/375057711.db2.gz LCLYFTOAEOBPRY-UHFFFAOYSA-N 0 2 272.264 1.621 20 5 CDBDLN CCn1nccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000352014183 375347576 /nfs/dbraw/zinc/34/75/76/375347576.db2.gz OJFKLWNHFCQZLW-ARJAWSKDSA-N 0 2 277.240 1.183 20 5 CDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000347305778 375462881 /nfs/dbraw/zinc/46/28/81/375462881.db2.gz JNKLFPLSBYATND-UHFFFAOYSA-N 0 2 297.267 1.352 20 5 CDBDLN COCC(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294185120 375733070 /nfs/dbraw/zinc/73/30/70/375733070.db2.gz SEOXSISOOJTTDW-UHFFFAOYSA-N 0 2 282.296 1.797 20 5 CDBDLN CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1C ZINC000452895871 252202464 /nfs/dbraw/zinc/20/24/64/252202464.db2.gz SXPISFSYGWIPBZ-ZANVPECISA-N 0 2 294.307 1.797 20 5 CDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1cncn1 ZINC000092545985 392717132 /nfs/dbraw/zinc/71/71/32/392717132.db2.gz WZEQXZRQFJDLJB-SSDOTTSWSA-N 0 2 277.240 1.092 20 5 CDBDLN COC[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000221011861 140168555 /nfs/dbraw/zinc/16/85/55/140168555.db2.gz AEVVEDAMIBVZIE-MRVPVSSYSA-N 0 2 268.269 1.912 20 5 CDBDLN CC[C@@H](O)CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000352402465 155163359 /nfs/dbraw/zinc/16/33/59/155163359.db2.gz VVIVUVHEXRDFHS-SNVBAGLBSA-N 0 2 282.296 1.581 20 5 CDBDLN Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000180814579 148164402 /nfs/dbraw/zinc/16/44/02/148164402.db2.gz GXXNUCTUZMMWGQ-UHFFFAOYSA-N 0 2 297.292 1.833 20 5 CDBDLN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1C ZINC000294222969 296925126 /nfs/dbraw/zinc/92/51/26/296925126.db2.gz RLRSGILQEJCKOZ-HTQZYQBOSA-N 0 2 250.254 1.781 20 5 CDBDLN CC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159432099 288321852 /nfs/dbraw/zinc/32/18/52/288321852.db2.gz ZCGZRRNGHNIEBL-VIFPVBQESA-N 0 2 280.280 1.551 20 5 CDBDLN CO[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000188280754 293792595 /nfs/dbraw/zinc/79/25/95/293792595.db2.gz MFGNFSYGOCBAIQ-VHSXEESVSA-N 0 2 280.280 1.598 20 5 CDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@](O)(C2CC2)C1 ZINC000373250783 304531459 /nfs/dbraw/zinc/53/14/59/304531459.db2.gz SQXZRNFCXAZTBJ-CQSZACIVSA-N 0 2 292.291 1.287 20 5 CDBDLN C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273183841 300342937 /nfs/dbraw/zinc/34/29/37/300342937.db2.gz GWMBANXPLDANHB-QMMMGPOBSA-N 0 2 266.253 1.161 20 5 CDBDLN C[C@H]1OCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1C ZINC000184787778 300596658 /nfs/dbraw/zinc/59/66/58/300596658.db2.gz PVCPUMVPEGONNE-DTWKUNHWSA-N 0 2 280.280 1.550 20 5 CDBDLN C[C@H]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](C)O1 ZINC000182175582 323266751 /nfs/dbraw/zinc/26/67/51/323266751.db2.gz XWXSDFKJQWVFDE-IUCAKERBSA-N 0 2 294.307 1.986 20 5 CDBDLN CCCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000414175390 535348844 /nfs/dbraw/zinc/34/88/44/535348844.db2.gz CCJXKAJINQHAJP-LBPRGKRZSA-N 0 2 265.269 1.141 20 5 CDBDLN COC1([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000413973462 536703861 /nfs/dbraw/zinc/70/38/61/536703861.db2.gz LTYJGBDDFBXBGV-SECBINFHSA-N 0 2 294.307 1.988 20 5 CDBDLN CNc1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c[nH+]1 ZINC000738029100 574868471 /nfs/dbraw/zinc/86/84/71/574868471.db2.gz JKVZCXURWBIRGH-UHFFFAOYSA-N 0 2 289.251 1.868 20 5 CDBDLN O=C(NCCc1n[nH]c(=S)o1)c1ccccc1[N+](=O)[O-] ZINC000773101957 575782743 /nfs/dbraw/zinc/78/27/43/575782743.db2.gz SWOVPRVXPGPGCT-UHFFFAOYSA-N 0 2 294.292 1.239 20 5 CDBDLN O=C(NCCC1N=NC(=S)O1)c1ccccc1[N+](=O)[O-] ZINC000773101957 575782744 /nfs/dbraw/zinc/78/27/44/575782744.db2.gz SWOVPRVXPGPGCT-UHFFFAOYSA-N 0 2 294.292 1.239 20 5 CDBDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832995136 601638442 /nfs/dbraw/zinc/63/84/42/601638442.db2.gz BAAHVVPZMKREHX-UHFFFAOYSA-N 0 2 279.227 1.985 20 5 CDBDLN CCOc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839734412 678164757 /nfs/dbraw/zinc/16/47/57/678164757.db2.gz RZCPAVPXAMRPKA-PSASIEDQSA-N 0 2 266.253 1.395 20 5 CDBDLN CC(C)OCCONC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000812800724 679078497 /nfs/dbraw/zinc/07/84/97/679078497.db2.gz CQSNXKDJYXWQDA-UHFFFAOYSA-N 0 2 284.268 1.387 20 5 CDBDLN N=c1c(N)cnc(Cl)n1-c1ccc(O)c([N+](=O)[O-])c1 ZINC001210393502 1167360585 /nfs/dbraw/zinc/36/05/85/1167360585.db2.gz CJODFPYQZMHHML-UHFFFAOYSA-N 0 2 281.659 1.201 20 5 CDBDLN CC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC001159525413 938738023 /nfs/dbraw/zinc/73/80/23/938738023.db2.gz FEUQWQPPJKJJCP-UHFFFAOYSA-N 0 2 280.280 1.740 20 5 CDBDLN CC1=C[C@H](Oc2cccc(O)c2[N+](=O)[O-])CC(=O)O1 ZINC001225622649 941889862 /nfs/dbraw/zinc/88/98/62/941889862.db2.gz IWGICTMBBWUGQU-QMMMGPOBSA-N 0 2 265.221 1.899 20 5 CDBDLN CCOC(=O)C[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228969940 942401005 /nfs/dbraw/zinc/40/10/05/942401005.db2.gz DXIVBRNFUAELKM-SSDOTTSWSA-N 0 2 285.252 1.727 20 5 CDBDLN O=C1OCCC[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971520 942402054 /nfs/dbraw/zinc/40/20/54/942402054.db2.gz QABIWTDIQYBXKF-MRVPVSSYSA-N 0 2 269.209 1.090 20 5 CDBDLN Cc1nn(C[NH+]2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001594489462 959684965 /nfs/dbraw/zinc/68/49/65/959684965.db2.gz YYLCIMJTUSFRDL-UHFFFAOYSA-N 0 2 296.327 1.634 20 5 CDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2c[nH]nc2C1 ZINC000611535695 346814950 /nfs/dbraw/zinc/81/49/50/346814950.db2.gz NAKBEDFXNNFIPV-UHFFFAOYSA-N 0 2 288.263 1.222 20 5 CDBDLN C[C@@H]1[C@@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436816646 361744227 /nfs/dbraw/zinc/74/42/27/361744227.db2.gz TVHAVRBOTPWXLT-RKDXNWHRSA-N 0 2 280.280 1.143 20 5 CDBDLN CC[C@@H](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000592875966 342742961 /nfs/dbraw/zinc/74/29/61/342742961.db2.gz XAONOJNZRRJVBV-NXEZZACHSA-N 0 2 296.323 1.827 20 5 CDBDLN O=C([O-])C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000091296233 349725216 /nfs/dbraw/zinc/72/52/16/349725216.db2.gz ONGFGMYRTWNFKZ-LBPRGKRZSA-N 0 2 280.280 1.270 20 5 CDBDLN O=C([O-])C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000091296233 349725219 /nfs/dbraw/zinc/72/52/19/349725219.db2.gz ONGFGMYRTWNFKZ-LBPRGKRZSA-N 0 2 280.280 1.270 20 5 CDBDLN O=C(NCc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000436890652 362079605 /nfs/dbraw/zinc/07/96/05/362079605.db2.gz VDJBKJBGNVNMEV-UHFFFAOYSA-N 0 2 291.238 1.765 20 5 CDBDLN C[C@@H](O)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436918971 362123380 /nfs/dbraw/zinc/12/33/80/362123380.db2.gz LLSQBRKWGGYKKM-JGVFFNPUSA-N 0 2 268.269 1.190 20 5 CDBDLN O=C(NCCC1CSC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597794927 343637504 /nfs/dbraw/zinc/63/75/04/343637504.db2.gz UCXGGXBDMMWZJA-UHFFFAOYSA-N 0 2 282.321 1.783 20 5 CDBDLN O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1C1CCOCC1 ZINC000601941514 344288808 /nfs/dbraw/zinc/28/88/08/344288808.db2.gz YMUXJLYMFVKROU-UHFFFAOYSA-N 0 2 289.291 1.710 20 5 CDBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1C1CCOCC1 ZINC000601941514 344288812 /nfs/dbraw/zinc/28/88/12/344288812.db2.gz YMUXJLYMFVKROU-UHFFFAOYSA-N 0 2 289.291 1.710 20 5 CDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCOC1 ZINC000170005551 299247235 /nfs/dbraw/zinc/24/72/35/299247235.db2.gz WBWSDNIYWQGRFV-WPRPVWTQSA-N 0 2 280.280 1.455 20 5 CDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCOC1 ZINC000135341657 358230092 /nfs/dbraw/zinc/23/00/92/358230092.db2.gz FVMWKACHZPIJDH-QMMMGPOBSA-N 0 2 266.253 1.666 20 5 CDBDLN 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CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc2c1CCCN2 ZINC001353669989 968137731 /nfs/dbraw/zinc/13/77/31/968137731.db2.gz RTMMOADEQILXLL-ZWNOBZJWSA-N 0 2 275.308 1.673 20 5 CDBDLN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC001605224050 972973829 /nfs/dbraw/zinc/97/38/29/972973829.db2.gz OYQGTTXZRSHYSE-GFCCVEGCSA-N 0 2 280.280 1.189 20 5 CDBDLN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC001605224050 972973840 /nfs/dbraw/zinc/97/38/40/972973840.db2.gz OYQGTTXZRSHYSE-GFCCVEGCSA-N 0 2 280.280 1.189 20 5 CDBDLN CCC[N@H+](CC(=O)[O-])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593287651 342784298 /nfs/dbraw/zinc/78/42/98/342784298.db2.gz AEEFMTAJEMOIBG-UHFFFAOYSA-N 0 2 268.269 1.597 20 5 CDBDLN CCC[N@@H+](CC(=O)[O-])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593287651 342784299 /nfs/dbraw/zinc/78/42/99/342784299.db2.gz AEEFMTAJEMOIBG-UHFFFAOYSA-N 0 2 268.269 1.597 20 5 CDBDLN C[C@H](CCO)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000593881153 342844432 /nfs/dbraw/zinc/84/44/32/342844432.db2.gz RVTDLDBMYNTJRR-MRVPVSSYSA-N 0 2 268.269 1.143 20 5 CDBDLN CC[C@@H](O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969388 362158689 /nfs/dbraw/zinc/15/86/89/362158689.db2.gz XWNMXEQERXCHQW-SNVBAGLBSA-N 0 2 282.296 1.581 20 5 CDBDLN CN(C[C@@H](O)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000089880396 347620333 /nfs/dbraw/zinc/62/03/33/347620333.db2.gz VOZXXUQLIOQHEE-GFCCVEGCSA-N 0 2 280.280 1.143 20 5 CDBDLN CN(CC(=O)NOC/C=C/Cl)c1ccccc1[N+](=O)[O-] ZINC000291917950 198104979 /nfs/dbraw/zinc/10/49/79/198104979.db2.gz UBZFIJDRCQZLGC-QPJJXVBHSA-N 0 2 299.714 1.831 20 5 CDBDLN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)OC ZINC000292379708 198266526 /nfs/dbraw/zinc/26/65/26/198266526.db2.gz YKNGUVSDIDPXBO-VIFPVBQESA-N 0 2 268.269 1.455 20 5 CDBDLN CCC[N@H+](CC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000038021473 283112959 /nfs/dbraw/zinc/11/29/59/283112959.db2.gz XGBGISIYKAMOLU-UHFFFAOYSA-N 0 2 295.295 1.330 20 5 CDBDLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000038021473 283112960 /nfs/dbraw/zinc/11/29/60/283112960.db2.gz XGBGISIYKAMOLU-UHFFFAOYSA-N 0 2 295.295 1.330 20 5 CDBDLN COCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000028203095 358109298 /nfs/dbraw/zinc/10/92/98/358109298.db2.gz GLJOTCBVUDOLAR-UHFFFAOYSA-N 0 2 254.242 1.067 20 5 CDBDLN C[C@@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCO1 ZINC000166119324 359668588 /nfs/dbraw/zinc/66/85/88/359668588.db2.gz FMRWWWRRKMXOFA-LBPRGKRZSA-N 0 2 266.253 1.808 20 5 CDBDLN Cc1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000089541077 360370802 /nfs/dbraw/zinc/37/08/02/360370802.db2.gz GRIFXGAPUAVBQO-UHFFFAOYSA-N 0 2 292.251 1.563 20 5 CDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCCO1 ZINC000274811990 360873780 /nfs/dbraw/zinc/87/37/80/360873780.db2.gz OVKPPCLQOJFVKU-TVQRCGJNSA-N 0 2 294.307 1.988 20 5 CDBDLN CC(C)(CO)CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179546817 189201363 /nfs/dbraw/zinc/20/13/63/189201363.db2.gz DIYLEZPSYXSFLB-UHFFFAOYSA-N 0 2 296.323 1.829 20 5 CDBDLN CC[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183329396 189354823 /nfs/dbraw/zinc/35/48/23/189354823.db2.gz DWHYLKZZGYJACK-GFCCVEGCSA-N 0 2 268.269 1.191 20 5 CDBDLN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1 ZINC000182159728 365071854 /nfs/dbraw/zinc/07/18/54/365071854.db2.gz CADVJBGAQJIQDO-YPMHNXCESA-N 0 2 294.307 1.988 20 5 CDBDLN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCO1 ZINC000153098356 367031180 /nfs/dbraw/zinc/03/11/80/367031180.db2.gz DNCKNOAEGVZZFN-CYBMUJFWSA-N 0 2 280.280 1.599 20 5 CDBDLN C[C@H](C[C@H]1CCCO1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351830214 369734449 /nfs/dbraw/zinc/73/44/49/369734449.db2.gz FDJUCEGSJFGYRL-MWLCHTKSSA-N 0 2 294.307 1.988 20 5 CDBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cn[nH]c2)c1 ZINC000037731473 370013945 /nfs/dbraw/zinc/01/39/45/370013945.db2.gz YMJLVJKXKZNFMN-UHFFFAOYSA-N 0 2 268.254 1.119 20 5 CDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@]2(CCOC2)C1 ZINC000179543312 372993091 /nfs/dbraw/zinc/99/30/91/372993091.db2.gz WOHJSROVGJEJTP-CQSZACIVSA-N 0 2 292.291 1.553 20 5 CDBDLN CC(C)[C@@H](CCO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000133176741 375712629 /nfs/dbraw/zinc/71/26/29/375712629.db2.gz OEPKMSYCSCSNSS-SNVBAGLBSA-N 0 2 282.296 1.437 20 5 CDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCO[C@@H](CF)C1 ZINC000413881856 391866982 /nfs/dbraw/zinc/86/69/82/391866982.db2.gz ZRGYVPWEUUPSRK-JTQLQIEISA-N 0 2 298.270 1.501 20 5 CDBDLN C[N@@H+](CCCn1cc[nH+]c1)CCn1cc([N+](=O)[O-])cn1 ZINC000124369164 393129901 /nfs/dbraw/zinc/12/99/01/393129901.db2.gz QTSTUBJGOJDONJ-UHFFFAOYSA-N 0 2 278.316 1.010 20 5 CDBDLN CN(C)C(=O)Cn1ccc(Nc2ncc([N+](=O)[O-])s2)n1 ZINC000282002975 393164947 /nfs/dbraw/zinc/16/49/47/393164947.db2.gz UMAHISFWCVZGJR-UHFFFAOYSA-N 0 2 296.312 1.080 20 5 CDBDLN C[C@@H]1OCC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316185 140163530 /nfs/dbraw/zinc/16/35/30/140163530.db2.gz ROBLVYHTLHEQKB-XVKPBYJWSA-N 0 2 266.253 1.208 20 5 CDBDLN C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000218125788 140165508 /nfs/dbraw/zinc/16/55/08/140165508.db2.gz HMZPYXBWNGRJBF-SECBINFHSA-N 0 2 290.279 1.315 20 5 CDBDLN CSc1ccc([N+](=O)[O-])c(C(=O)N=c2cccn[nH]2)c1 ZINC000346044476 153033484 /nfs/dbraw/zinc/03/34/84/153033484.db2.gz XQYHGUFNKOUJKG-UHFFFAOYSA-N 0 2 290.304 1.781 20 5 CDBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCCC[C@H]1O ZINC000217316789 280088344 /nfs/dbraw/zinc/08/83/44/280088344.db2.gz LACZBFIBTSLEAP-ZYHUDNBSSA-N 0 2 294.307 1.676 20 5 CDBDLN O=c1[nH]nc(CNc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000392679026 280683363 /nfs/dbraw/zinc/68/33/63/280683363.db2.gz ONXSGMWMKGRYAL-UHFFFAOYSA-N 0 2 269.648 1.684 20 5 CDBDLN CO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000371680743 293654610 /nfs/dbraw/zinc/65/46/10/293654610.db2.gz LMNAHRRVYBBTIQ-LLVKDONJSA-N 0 2 294.307 1.942 20 5 CDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](CO)CC1 ZINC000294552668 304550115 /nfs/dbraw/zinc/55/01/15/304550115.db2.gz MWCPXTBICYJCAV-JTQLQIEISA-N 0 2 294.307 1.535 20 5 CDBDLN CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000578928328 324059388 /nfs/dbraw/zinc/05/93/88/324059388.db2.gz BKJVUIQMTPTSKD-UHFFFAOYSA-N 0 2 260.196 1.685 20 5 CDBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000583504704 325190069 /nfs/dbraw/zinc/19/00/69/325190069.db2.gz BBPKPKQJJBYKIY-MFKMUULPSA-N 0 2 294.307 1.750 20 5 CDBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000583504704 325190071 /nfs/dbraw/zinc/19/00/71/325190071.db2.gz BBPKPKQJJBYKIY-MFKMUULPSA-N 0 2 294.307 1.750 20 5 CDBDLN Cc1cnc(OC(C)C)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840467861 693318248 /nfs/dbraw/zinc/31/82/48/693318248.db2.gz AMQRPVRDCURDEW-MWLCHTKSSA-N 0 2 279.296 1.781 20 5 CDBDLN CC[C@@](COC)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001605056988 1163435427 /nfs/dbraw/zinc/43/54/27/1163435427.db2.gz REQJXKGCFDQJFU-ZDUSSCGKSA-N 0 2 298.295 1.270 20 5 CDBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC001607191030 1164128813 /nfs/dbraw/zinc/12/88/13/1164128813.db2.gz FIPPDMTZOGMZRL-CYBMUJFWSA-N 0 2 298.270 1.602 20 5 CDBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC001607191030 1164128814 /nfs/dbraw/zinc/12/88/14/1164128814.db2.gz FIPPDMTZOGMZRL-CYBMUJFWSA-N 0 2 298.270 1.602 20 5 CDBDLN CC(C)Cc1nsc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000855707074 723463195 /nfs/dbraw/zinc/46/31/95/723463195.db2.gz IYUGDUWUOLCYDG-RNFRBKRXSA-N 0 2 270.314 1.340 20 5 CDBDLN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001173213657 912335959 /nfs/dbraw/zinc/33/59/59/912335959.db2.gz JKYZGAHEEKWNNO-CPCISQLKSA-N 0 2 295.320 1.425 20 5 CDBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001225620752 903384387 /nfs/dbraw/zinc/38/43/87/903384387.db2.gz UGUVFDAMNQNAIZ-VIRWGQHYSA-N 0 2 267.237 1.441 20 5 CDBDLN C[C@H]1CN=C(NC(=O)c2ccc([N+](=O)[O-])cc2O)S1 ZINC000819775237 930845431 /nfs/dbraw/zinc/84/54/31/930845431.db2.gz FATXUCSCNSOJGI-LURJTMIESA-N 0 2 281.293 1.522 20 5 CDBDLN Cn1nc(-c2ccco2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001117998358 937578042 /nfs/dbraw/zinc/57/80/42/937578042.db2.gz WDTDRAWQHLFLRD-VXNVDRBHSA-N 0 2 276.252 1.284 20 5 CDBDLN COCC(COC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624264 941890270 /nfs/dbraw/zinc/89/02/70/941890270.db2.gz XHQAQISTEACAJI-UHFFFAOYSA-N 0 2 257.242 1.341 20 5 CDBDLN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CO1 ZINC000401333022 342487390 /nfs/dbraw/zinc/48/73/90/342487390.db2.gz DCOXASCDSDLLDW-VXNVDRBHSA-N 0 2 266.253 1.208 20 5 CDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(F)(F)C1 ZINC000611907167 346905840 /nfs/dbraw/zinc/90/58/40/346905840.db2.gz PUXBVLSNHREKKZ-UHFFFAOYSA-N 0 2 258.180 1.392 20 5 CDBDLN Cc1nn(C)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436916617 362123353 /nfs/dbraw/zinc/12/33/53/362123353.db2.gz ALFFRPATVOCFLT-UHFFFAOYSA-N 0 2 290.279 1.272 20 5 CDBDLN O=C(NCCc1cnccn1)c1cc([N+](=O)[O-])ccc1O ZINC000436955617 362154564 /nfs/dbraw/zinc/15/45/64/362154564.db2.gz HBPIZXWZBKNGJF-UHFFFAOYSA-N 0 2 288.263 1.063 20 5 CDBDLN O=C(NCCOC(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436980265 362243672 /nfs/dbraw/zinc/24/36/72/362243672.db2.gz MTCIUABGHDOKOF-UHFFFAOYSA-N 0 2 294.185 1.567 20 5 CDBDLN CSCC[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271557891 191210521 /nfs/dbraw/zinc/21/05/21/191210521.db2.gz PTZWZIBCRSYIKC-JTQLQIEISA-N 0 2 286.309 1.353 20 5 CDBDLN O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839626 366159095 /nfs/dbraw/zinc/15/90/95/366159095.db2.gz IFQSMYHTDFJCBU-HUUCEWRRSA-N 0 2 291.351 1.548 20 5 CDBDLN Cn1cccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075547218 356948090 /nfs/dbraw/zinc/94/80/90/356948090.db2.gz JSQACUIWYQVKEQ-UHFFFAOYSA-N 0 2 275.264 1.569 20 5 CDBDLN CC(C)(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182141537 189315160 /nfs/dbraw/zinc/31/51/60/189315160.db2.gz PCRZFCKMECBECH-SECBINFHSA-N 0 2 296.323 1.827 20 5 CDBDLN O=C(N[C@@H]1CC12CCOCC2)c1cc([N+](=O)[O-])ccc1O ZINC000456260628 364066535 /nfs/dbraw/zinc/06/65/35/364066535.db2.gz ZFFYBFWSZLHZEM-GFCCVEGCSA-N 0 2 292.291 1.599 20 5 CDBDLN 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C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029914940 279138002 /nfs/dbraw/zinc/13/80/02/279138002.db2.gz CNCNQCAKMDGRJF-QMMMGPOBSA-N 0 2 266.253 1.161 20 5 CDBDLN CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000161458705 281354457 /nfs/dbraw/zinc/35/44/57/281354457.db2.gz QQLMYGKCRDSRCT-SECBINFHSA-N 0 2 294.307 1.988 20 5 CDBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCCO1 ZINC000152533520 289137338 /nfs/dbraw/zinc/13/73/38/289137338.db2.gz VOQWDTKXUZDFCA-GXFFZTMASA-N 0 2 294.307 1.988 20 5 CDBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCCO1 ZINC000152533411 289137458 /nfs/dbraw/zinc/13/74/58/289137458.db2.gz VOQWDTKXUZDFCA-MFKMUULPSA-N 0 2 294.307 1.988 20 5 CDBDLN Cc1nn(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436982741 302786664 /nfs/dbraw/zinc/78/66/64/302786664.db2.gz HRDOMHHHJHRMAS-UHFFFAOYSA-N 0 2 290.279 1.903 20 5 CDBDLN O=C(NC[C@@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1O ZINC000194120057 534557749 /nfs/dbraw/zinc/55/77/49/534557749.db2.gz KISORYIGBVVEKS-QMMMGPOBSA-N 0 2 278.264 1.399 20 5 CDBDLN CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)COC1 ZINC000770856685 575511369 /nfs/dbraw/zinc/51/13/69/575511369.db2.gz LOEPNEFEQAXIMD-UHFFFAOYSA-N 0 2 266.253 1.666 20 5 CDBDLN Cc1cc2c(cc1[N+](=O)[O-])N(Cc1n[nH]c(=O)[nH]1)CC2 ZINC000754107804 576880770 /nfs/dbraw/zinc/88/07/70/576880770.db2.gz VPPKRZQGFFOCER-UHFFFAOYSA-N 0 2 275.268 1.290 20 5 CDBDLN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000827021453 604396969 /nfs/dbraw/zinc/39/69/69/604396969.db2.gz DRYLVDPLLAUODC-ZDUSSCGKSA-N 0 2 296.323 1.905 20 5 CDBDLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000827021453 604396971 /nfs/dbraw/zinc/39/69/71/604396971.db2.gz DRYLVDPLLAUODC-ZDUSSCGKSA-N 0 2 296.323 1.905 20 5 CDBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001593466941 1174079697 /nfs/dbraw/zinc/07/96/97/1174079697.db2.gz QIWUCUOHEZOVRS-RKDXNWHRSA-N 0 2 299.250 1.049 20 5 CDBDLN CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccc(F)cc21 ZINC000840370024 740678840 /nfs/dbraw/zinc/67/88/40/740678840.db2.gz QTTHRMCLNYOUCC-MWLCHTKSSA-N 0 2 279.271 1.274 20 5 CDBDLN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000840426861 741396409 /nfs/dbraw/zinc/39/64/09/741396409.db2.gz FDRWXUXIUKCNEA-VXNVDRBHSA-N 0 2 281.224 1.207 20 5 CDBDLN COC/C(C)=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000845885584 742340138 /nfs/dbraw/zinc/34/01/38/742340138.db2.gz DRYNHTGTCOXCCB-VMPITWQZSA-N 0 2 266.253 1.832 20 5 CDBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H](O)c2ccccc21 ZINC000889267657 740588678 /nfs/dbraw/zinc/58/86/78/740588678.db2.gz GYCSLJZNSBNTNA-JLLWLGSASA-N 0 2 262.265 1.122 20 5 CDBDLN Cc1ccc(Cn2nccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC000839490130 741569170 /nfs/dbraw/zinc/56/91/70/741569170.db2.gz BUPOWFILLWZYIQ-GHMZBOCLSA-N 0 2 290.279 1.437 20 5 CDBDLN O=[N+]([O-])c1c(O)cccc1OC1CCC(O)CC1 ZINC001218365254 898701664 /nfs/dbraw/zinc/70/16/64/898701664.db2.gz BPBJWPADRZYCJB-UHFFFAOYSA-N 0 2 253.254 1.983 20 5 CDBDLN CC(=O)N1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225624195 941890563 /nfs/dbraw/zinc/89/05/63/941890563.db2.gz VXKMLZHCKQWNQA-UHFFFAOYSA-N 0 2 280.280 1.690 20 5 CDBDLN COC(C[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-])OC ZINC001228971367 942402199 /nfs/dbraw/zinc/40/21/99/942402199.db2.gz ODQYXOIVWMSEQU-SSDOTTSWSA-N 0 2 287.268 1.782 20 5 CDBDLN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C(=O)[O-])C1 ZINC001605224051 972974365 /nfs/dbraw/zinc/97/43/65/972974365.db2.gz OYQGTTXZRSHYSE-LBPRGKRZSA-N 0 2 280.280 1.189 20 5 CDBDLN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC001605224051 972974372 /nfs/dbraw/zinc/97/43/72/972974372.db2.gz OYQGTTXZRSHYSE-LBPRGKRZSA-N 0 2 280.280 1.189 20 5 CDBDLN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CO1 ZINC000401333001 342487395 /nfs/dbraw/zinc/48/73/95/342487395.db2.gz DCOXASCDSDLLDW-APPZFPTMSA-N 0 2 266.253 1.208 20 5 CDBDLN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)CO1 ZINC000593806413 342837288 /nfs/dbraw/zinc/83/72/88/342837288.db2.gz IUORMACEECKPHW-MWLCHTKSSA-N 0 2 294.307 1.940 20 5 CDBDLN O=C(N[C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000340791618 361988539 /nfs/dbraw/zinc/98/85/39/361988539.db2.gz SNMQFWFUPXNTEP-BDAKNGLRSA-N 0 2 268.244 1.921 20 5 CDBDLN CCC(O)(CC)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600765396 342247986 /nfs/dbraw/zinc/24/79/86/342247986.db2.gz AIJHDNMNBSNNRT-UHFFFAOYSA-N 0 2 296.323 1.924 20 5 CDBDLN CCOC(=O)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436884590 362085238 /nfs/dbraw/zinc/08/52/38/362085238.db2.gz BBVUPIKKHJVZDZ-QMMMGPOBSA-N 0 2 296.279 1.372 20 5 CDBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(=O)[nH]1 ZINC000436940944 362141021 /nfs/dbraw/zinc/14/10/21/362141021.db2.gz YZHZKRGDFLKVNY-UHFFFAOYSA-N 0 2 289.247 1.962 20 5 CDBDLN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000436958748 362153171 /nfs/dbraw/zinc/15/31/71/362153171.db2.gz JZQPRPIWVYGYKG-CYBMUJFWSA-N 0 2 294.307 1.797 20 5 CDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn2cccnc12 ZINC000141218530 342433861 /nfs/dbraw/zinc/43/38/61/342433861.db2.gz QNVFFOOBWQFWBQ-UHFFFAOYSA-N 0 2 299.246 1.595 20 5 CDBDLN O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000619581205 349810010 /nfs/dbraw/zinc/81/00/10/349810010.db2.gz YISTZAIJIBVVAA-NEPJUHHUSA-N 0 2 299.286 1.981 20 5 CDBDLN COCC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000597881824 343656800 /nfs/dbraw/zinc/65/68/00/343656800.db2.gz HQDGHTSWKSYVGN-UHFFFAOYSA-N 0 2 294.307 1.989 20 5 CDBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000063476241 347465656 /nfs/dbraw/zinc/46/56/56/347465656.db2.gz AANDQIVLLCEEHB-UHFFFAOYSA-N 0 2 297.267 1.930 20 5 CDBDLN CCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194741629 363049744 /nfs/dbraw/zinc/04/97/44/363049744.db2.gz RPCYJRFOJIETRF-UHFFFAOYSA-N 0 2 268.269 1.457 20 5 CDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCO1 ZINC000184652344 299246891 /nfs/dbraw/zinc/24/68/91/299246891.db2.gz HRBSWENQCACJHN-QPUJVOFHSA-N 0 2 280.280 1.598 20 5 CDBDLN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])c(O)c1 ZINC000181976429 357396340 /nfs/dbraw/zinc/39/63/40/357396340.db2.gz DTHJJBSDQFFMAE-QWRGUYRKSA-N 0 2 294.307 1.581 20 5 CDBDLN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)O1 ZINC000185882916 357588628 /nfs/dbraw/zinc/58/86/28/357588628.db2.gz IJESAMWQGUDVNA-MWLCHTKSSA-N 0 2 294.307 1.940 20 5 CDBDLN Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cnn1C ZINC000014255997 358969888 /nfs/dbraw/zinc/96/98/88/358969888.db2.gz RZRZUUITHAWMOO-UHFFFAOYSA-N 0 2 296.308 1.438 20 5 CDBDLN CN(Cc1nc[nH]n1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339016548 359274689 /nfs/dbraw/zinc/27/46/89/359274689.db2.gz IGSYKRQCFVUVLJ-UHFFFAOYSA-N 0 2 263.257 1.051 20 5 CDBDLN CN(Cc1nnc[nH]1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339016548 359274694 /nfs/dbraw/zinc/27/46/94/359274694.db2.gz IGSYKRQCFVUVLJ-UHFFFAOYSA-N 0 2 263.257 1.051 20 5 CDBDLN O=C(N[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1O ZINC000272432870 367732316 /nfs/dbraw/zinc/73/23/16/367732316.db2.gz SISIDCJIUGJGTM-SSDOTTSWSA-N 0 2 268.294 1.536 20 5 CDBDLN CO[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272435318 367734240 /nfs/dbraw/zinc/73/42/40/367734240.db2.gz TUFFDHMOMAVBAP-DGCLKSJQSA-N 0 2 294.307 1.988 20 5 CDBDLN O=C([O-])c1cc(NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000013179650 374659341 /nfs/dbraw/zinc/65/93/41/374659341.db2.gz PYDJEXOOEOGDLX-UHFFFAOYSA-N 0 2 295.295 1.037 20 5 CDBDLN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(C)(C)O ZINC000276676084 374741862 /nfs/dbraw/zinc/74/18/62/374741862.db2.gz HOPQPRYCEUVEMA-LBPRGKRZSA-N 0 2 296.323 1.826 20 5 CDBDLN CCC(CC)(CCO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000283694433 375122299 /nfs/dbraw/zinc/12/22/99/375122299.db2.gz XKPGWWLCZGLSKD-UHFFFAOYSA-N 0 2 296.323 1.971 20 5 CDBDLN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOC1 ZINC000354905557 375759373 /nfs/dbraw/zinc/75/93/73/375759373.db2.gz ANDHZDPHUJVXMU-CYBMUJFWSA-N 0 2 280.280 1.457 20 5 CDBDLN CCC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000134271830 375946206 /nfs/dbraw/zinc/94/62/06/375946206.db2.gz YDLFQMZOVLMUHB-SECBINFHSA-N 0 2 268.269 1.191 20 5 CDBDLN CCOc1cc(NCCc2nc(N)no2)ccc1[N+](=O)[O-] ZINC000433428023 248035891 /nfs/dbraw/zinc/03/58/91/248035891.db2.gz RSKZUCXEXXIMGG-UHFFFAOYSA-N 0 2 293.283 1.444 20 5 CDBDLN O=[N+]([O-])c1cnc(Nc2ccn(CC(F)F)n2)s1 ZINC000443506248 250034532 /nfs/dbraw/zinc/03/45/32/250034532.db2.gz FBBFLNGAGNFAHX-UHFFFAOYSA-N 0 2 275.240 1.678 20 5 CDBDLN Cc1nccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000181907649 391020300 /nfs/dbraw/zinc/02/03/00/391020300.db2.gz WNOZHBSVFPNTIS-UHFFFAOYSA-N 0 2 288.263 1.329 20 5 CDBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)CO1 ZINC000181872577 390987547 /nfs/dbraw/zinc/98/75/47/390987547.db2.gz GSOJZFVJPOFEMO-RKDXNWHRSA-N 0 2 280.280 1.550 20 5 CDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(CF)C1 ZINC000413932861 391279426 /nfs/dbraw/zinc/27/94/26/391279426.db2.gz OBKQZPUVYLAETE-UHFFFAOYSA-N 0 2 254.217 1.342 20 5 CDBDLN O=C(Nc1nncn1C1CC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000285853045 397736416 /nfs/dbraw/zinc/73/64/16/397736416.db2.gz PKEWVOACVQHETK-UHFFFAOYSA-N 0 2 289.251 1.479 20 5 CDBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(n2cc[nH+]c2)C1 ZINC000532664639 282018574 /nfs/dbraw/zinc/01/85/74/282018574.db2.gz KSHBTPMYOIFMCM-UHFFFAOYSA-N 0 2 288.263 1.194 20 5 CDBDLN CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)C1 ZINC000281837379 294548239 /nfs/dbraw/zinc/54/82/39/294548239.db2.gz SLVLZMFMZIADQJ-KOLCDFICSA-N 0 2 294.307 1.940 20 5 CDBDLN C[C@@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)O1 ZINC000412664759 297254958 /nfs/dbraw/zinc/25/49/58/297254958.db2.gz WVMXZEMXXXXNEK-BBBLOLIVSA-N 0 2 294.307 1.844 20 5 CDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000430675492 302041178 /nfs/dbraw/zinc/04/11/78/302041178.db2.gz FGTYWFBVBKCPFT-SECBINFHSA-N 0 2 295.295 1.247 20 5 CDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000430675492 302041183 /nfs/dbraw/zinc/04/11/83/302041183.db2.gz FGTYWFBVBKCPFT-SECBINFHSA-N 0 2 295.295 1.247 20 5 CDBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000360486083 302363744 /nfs/dbraw/zinc/36/37/44/302363744.db2.gz VOPOGLRHPFHRSD-UHFFFAOYSA-N 0 2 283.265 1.692 20 5 CDBDLN Cc1n[nH]c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157583087 302482809 /nfs/dbraw/zinc/48/28/09/302482809.db2.gz PXMPDFKDMDNXCD-UHFFFAOYSA-N 0 2 276.252 1.893 20 5 CDBDLN O=C(NCCCOC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436663297 303769491 /nfs/dbraw/zinc/76/94/91/303769491.db2.gz GPBKJGPCXCLCGX-UHFFFAOYSA-N 0 2 290.222 1.660 20 5 CDBDLN O=c1[nH]nc([C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)o1 ZINC000285714588 304815246 /nfs/dbraw/zinc/81/52/46/304815246.db2.gz RVERRVVZERYLBR-MRVPVSSYSA-N 0 2 291.267 1.050 20 5 CDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000583997090 325282916 /nfs/dbraw/zinc/28/29/16/325282916.db2.gz SSNBHDMRIRONNV-RNCFNFMXSA-N 0 2 292.291 1.551 20 5 CDBDLN O=C(CCc1ccncn1)Nc1cc([N+](=O)[O-])ccc1O ZINC000191875502 534476761 /nfs/dbraw/zinc/47/67/61/534476761.db2.gz WJMBYUIKPQNMLO-UHFFFAOYSA-N 0 2 288.263 1.662 20 5 CDBDLN CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(N)=O ZINC000183520904 521470496 /nfs/dbraw/zinc/47/04/96/521470496.db2.gz FZQXCYFLCWXZAA-UHFFFAOYSA-N 0 2 295.295 1.074 20 5 CDBDLN COC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436893812 536547544 /nfs/dbraw/zinc/54/75/44/536547544.db2.gz BWTJHSYHOFALOP-SSDOTTSWSA-N 0 2 254.242 1.065 20 5 CDBDLN C[C@H](C(=O)OCc1n[nH]c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000763419738 576735841 /nfs/dbraw/zinc/73/58/41/576735841.db2.gz KSQIMFPCOBSEEX-ZETCQYMHSA-N 0 2 292.251 1.265 20 5 CDBDLN COc1cc(Cn2cc(C(=O)[O-])[nH+]c2C)ccc1[N+](=O)[O-] ZINC001607167775 1164126514 /nfs/dbraw/zinc/12/65/14/1164126514.db2.gz WVXVKGJHNIHXFW-UHFFFAOYSA-N 0 2 291.263 1.855 20 5 CDBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cncc(Cl)c2)no1 ZINC000854067699 742884987 /nfs/dbraw/zinc/88/49/87/742884987.db2.gz CKNKUQZGWOJOMD-HTQZYQBOSA-N 0 2 266.644 1.918 20 5 CDBDLN Cc1cccn2cc(Cc3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)nc12 ZINC000842492342 743042538 /nfs/dbraw/zinc/04/25/38/743042538.db2.gz HXJLSIAMFCJXQT-GHMZBOCLSA-N 0 2 299.290 1.749 20 5 CDBDLN Cc1nc2sccn2c1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842498591 743359125 /nfs/dbraw/zinc/35/91/25/743359125.db2.gz FSAUYKQEFVBBEM-RNFRBKRXSA-N 0 2 291.292 1.887 20 5 CDBDLN O=C(Nc1ccc2c(n1)CCCC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841249622 745094090 /nfs/dbraw/zinc/09/40/90/745094090.db2.gz CBTGAGFEDHNGGU-PSASIEDQSA-N 0 2 275.264 1.204 20 5 CDBDLN O=C(Nc1cccc(-c2c[nH]nn2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839723129 745106702 /nfs/dbraw/zinc/10/67/02/745106702.db2.gz POZWMIGXKQGPAQ-MWLCHTKSSA-N 0 2 273.252 1.075 20 5 CDBDLN CCCc1csc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000839718523 746844927 /nfs/dbraw/zinc/84/49/27/746844927.db2.gz UGOBXQAFAFPOAS-HTQZYQBOSA-N 0 2 255.299 1.699 20 5 CDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1ccccc1 ZINC000035334686 747085636 /nfs/dbraw/zinc/08/56/36/747085636.db2.gz BZIJKEPLQZKEJP-CYBMUJFWSA-N 0 2 288.259 1.973 20 5 CDBDLN COC(=O)c1csc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000839721411 747311086 /nfs/dbraw/zinc/31/10/86/747311086.db2.gz QCLSFNKFXRYSIY-HTRCEHHLSA-N 0 2 284.293 1.447 20 5 CDBDLN CCc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2n1 ZINC000840415426 748341851 /nfs/dbraw/zinc/34/18/51/748341851.db2.gz FQEWTBSPCKOAMU-BXUZGUMPSA-N 0 2 285.303 1.823 20 5 CDBDLN Cc1nc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2n1C ZINC000839695942 748427522 /nfs/dbraw/zinc/42/75/22/748427522.db2.gz HNKDDQFZGVENNA-BXKDBHETSA-N 0 2 274.280 1.485 20 5 CDBDLN COc1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[C@H](C)O2 ZINC000840365880 748447893 /nfs/dbraw/zinc/44/78/93/748447893.db2.gz DZNPQQDRZVQFHO-JMJZKYOTSA-N 0 2 292.291 1.474 20 5 CDBDLN O=[N+]([O-])C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC001225620782 941889210 /nfs/dbraw/zinc/88/92/10/941889210.db2.gz VBYDCYCXIFNYHY-SNVBAGLBSA-N 0 2 268.225 1.735 20 5 CDBDLN O=C1OC[C@H](COc2cccc(O)c2[N+](=O)[O-])O1 ZINC001225620834 941889389 /nfs/dbraw/zinc/88/93/89/941889389.db2.gz WUVVVFNGAFJNTQ-LURJTMIESA-N 0 2 255.182 1.215 20 5 CDBDLN CSc1nc(OC2CCC(=O)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625180 942199516 /nfs/dbraw/zinc/19/95/16/942199516.db2.gz RTBKFSGNOYXWEB-UHFFFAOYSA-N 0 2 299.308 1.703 20 5 CDBDLN CCC[C@@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC001605199596 1163484677 /nfs/dbraw/zinc/48/46/77/1163484677.db2.gz YSLLNJCXPDNSHO-LLVKDONJSA-N 0 2 271.273 1.624 20 5 CDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCOC1 ZINC000436850079 361872837 /nfs/dbraw/zinc/87/28/37/361872837.db2.gz YABPYMTVCHFLLF-SNVBAGLBSA-N 0 2 280.280 1.551 20 5 CDBDLN C[C@H](O)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000594413653 342902013 /nfs/dbraw/zinc/90/20/13/342902013.db2.gz AULVRQAYTZSCAO-QMMMGPOBSA-N 0 2 280.280 1.286 20 5 CDBDLN O=C(COC[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000534802804 282209370 /nfs/dbraw/zinc/20/93/70/282209370.db2.gz GNUYOGRNNZIDOB-JTQLQIEISA-N 0 2 296.279 1.435 20 5 CDBDLN C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436971271 362159326 /nfs/dbraw/zinc/15/93/26/362159326.db2.gz IGEJOPXZSXBOSR-VIFPVBQESA-N 0 2 290.279 1.315 20 5 CDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2C[C@H]2C1 ZINC000598331653 343760561 /nfs/dbraw/zinc/76/05/61/343760561.db2.gz PSENWCJDBMDBFX-IUCAKERBSA-N 0 2 262.265 1.782 20 5 CDBDLN CN(Cc1cnn(C)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194743394 530017896 /nfs/dbraw/zinc/01/78/96/530017896.db2.gz KTWNCHLCMPREMU-UHFFFAOYSA-N 0 2 290.279 1.306 20 5 CDBDLN CCNC(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294804 346738330 /nfs/dbraw/zinc/73/83/30/346738330.db2.gz SAEXIVNPCOTDJK-UHFFFAOYSA-N 0 2 281.268 1.155 20 5 CDBDLN O=C(NC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000181909211 357389240 /nfs/dbraw/zinc/38/92/40/357389240.db2.gz HFAGQJHRFCYRQW-VIFPVBQESA-N 0 2 280.280 1.457 20 5 CDBDLN O=C(NCCCCCCO)c1cc([N+](=O)[O-])ccc1O ZINC000182184711 357417112 /nfs/dbraw/zinc/41/71/12/357417112.db2.gz QNJROGLLMGUMGL-UHFFFAOYSA-N 0 2 282.296 1.583 20 5 CDBDLN CC(C)(C)[C@H](CCO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186042026 357605785 /nfs/dbraw/zinc/60/57/85/357605785.db2.gz GTCNVVMXOXXFQX-LBPRGKRZSA-N 0 2 296.323 1.827 20 5 CDBDLN CN(C[C@H]1CCOC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187713281 357799424 /nfs/dbraw/zinc/79/94/24/357799424.db2.gz IDKXAJDUSAWGEN-SECBINFHSA-N 0 2 280.280 1.409 20 5 CDBDLN COc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531762 360325847 /nfs/dbraw/zinc/32/58/47/360325847.db2.gz AHKMVSHZPKNLAY-UHFFFAOYSA-N 0 2 289.247 1.956 20 5 CDBDLN C[C@@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)O1 ZINC000412690254 240320432 /nfs/dbraw/zinc/32/04/32/240320432.db2.gz QLKVCFWFGFHWQE-YWVKMMECSA-N 0 2 294.307 1.844 20 5 CDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC=C(F)C1 ZINC000272458358 367737423 /nfs/dbraw/zinc/73/74/23/367737423.db2.gz XHJWSLCBDJFBSA-UHFFFAOYSA-N 0 2 266.228 2.000 20 5 CDBDLN COC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194154826 372078763 /nfs/dbraw/zinc/07/87/63/372078763.db2.gz DZIKPXBSEMRIHK-QMMMGPOBSA-N 0 2 268.269 1.407 20 5 CDBDLN CC[C@@]1(C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331242502 374913323 /nfs/dbraw/zinc/91/33/23/374913323.db2.gz PLZABFBWGAEOML-AWEZNQCLSA-N 0 2 294.307 1.942 20 5 CDBDLN COC[C@@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000294079806 375664684 /nfs/dbraw/zinc/66/46/84/375664684.db2.gz ACFOKBGLPBEJSF-AWEZNQCLSA-N 0 2 294.307 1.799 20 5 CDBDLN O=C(Nc1ccc2n[nH]nc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356804236 375862633 /nfs/dbraw/zinc/86/26/33/375862633.db2.gz OAQVLNJTYRPLGO-UHFFFAOYSA-N 0 2 299.246 1.824 20 5 CDBDLN O=C(Nc1ccc2[nH]nnc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356804236 375862636 /nfs/dbraw/zinc/86/26/36/375862636.db2.gz OAQVLNJTYRPLGO-UHFFFAOYSA-N 0 2 299.246 1.824 20 5 CDBDLN O=C(Cc1cncs1)Nc1cc([N+](=O)[O-])ccc1O ZINC000188642429 390973993 /nfs/dbraw/zinc/97/39/93/390973993.db2.gz OHGLKODEUHTBFK-UHFFFAOYSA-N 0 2 279.277 1.938 20 5 CDBDLN CC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000182158108 391168634 /nfs/dbraw/zinc/16/86/34/391168634.db2.gz HGGVRSULTZSJHM-UHFFFAOYSA-N 0 2 250.254 1.973 20 5 CDBDLN CC[C@@H]1OCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000458290932 391406003 /nfs/dbraw/zinc/40/60/03/391406003.db2.gz NIIJEVKOSHJAHC-PWSUYJOCSA-N 0 2 280.280 1.598 20 5 CDBDLN COCCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000416337860 392010396 /nfs/dbraw/zinc/01/03/96/392010396.db2.gz HAWBVPLBWCVWKQ-UHFFFAOYSA-N 0 2 282.296 1.799 20 5 CDBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1CO ZINC000360854107 397894464 /nfs/dbraw/zinc/89/44/64/397894464.db2.gz JZUOYUOQIVMIBM-PSASIEDQSA-N 0 2 280.280 1.001 20 5 CDBDLN O=c1[nH]nc([C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)o1 ZINC000285714596 304815202 /nfs/dbraw/zinc/81/52/02/304815202.db2.gz RVERRVVZERYLBR-QMMMGPOBSA-N 0 2 291.267 1.050 20 5 CDBDLN COC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022624810 171394846 /nfs/dbraw/zinc/39/48/46/171394846.db2.gz HGMJWRGVTYTNJI-ZETCQYMHSA-N 0 2 254.242 1.065 20 5 CDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(CCO2)CC1 ZINC000374463983 280191635 /nfs/dbraw/zinc/19/16/35/280191635.db2.gz BSQPGFLTWRKTOG-UHFFFAOYSA-N 0 2 292.291 1.696 20 5 CDBDLN CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272382539 288327812 /nfs/dbraw/zinc/32/78/12/288327812.db2.gz JLNCIJIAZPMVQD-UWVGGRQHSA-N 0 2 294.307 1.940 20 5 CDBDLN CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000281812301 293749712 /nfs/dbraw/zinc/74/97/12/293749712.db2.gz QHZPRHMCTORHEP-MWLCHTKSSA-N 0 2 294.307 1.940 20 5 CDBDLN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CO1 ZINC000577733917 317391950 /nfs/dbraw/zinc/39/19/50/317391950.db2.gz IYSZMSRGKJOCCE-SFYZADRCSA-N 0 2 266.253 1.208 20 5 CDBDLN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186147144 533833332 /nfs/dbraw/zinc/83/33/32/533833332.db2.gz ZCXURHMSCRGSTB-BXKDBHETSA-N 0 2 294.307 1.676 20 5 CDBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000832481794 601446384 /nfs/dbraw/zinc/44/63/84/601446384.db2.gz QYRVMNFRQJRHHQ-ZDUSSCGKSA-N 0 2 298.270 1.602 20 5 CDBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000832481794 601446387 /nfs/dbraw/zinc/44/63/87/601446387.db2.gz QYRVMNFRQJRHHQ-ZDUSSCGKSA-N 0 2 298.270 1.602 20 5 CDBDLN O=C(C[NH+]1CCCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000821712103 751834910 /nfs/dbraw/zinc/83/49/10/751834910.db2.gz MQTCOOXHZFJLDB-UHFFFAOYSA-N 0 2 299.714 1.988 20 5 CDBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2c(F)c(F)ccc21 ZINC000841337645 753131383 /nfs/dbraw/zinc/13/13/83/753131383.db2.gz UKIFPTDRLHDCHH-HZGVNTEJSA-N 0 2 284.218 1.355 20 5 CDBDLN O=C(NC/C=C\C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC001117772199 937551339 /nfs/dbraw/zinc/55/13/39/937551339.db2.gz ZFSKZWIJYDYFTO-UPHRSURJSA-N 0 2 262.265 1.996 20 5 CDBDLN CC(C)(C)OC(=O)NCc1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001327025808 932694541 /nfs/dbraw/zinc/69/45/41/932694541.db2.gz IFGMIVAGXNEFAS-RNFRBKRXSA-N 0 2 284.272 1.227 20 5 CDBDLN C[C@H]1OCC[C@H]1COc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228967819 942400984 /nfs/dbraw/zinc/40/09/84/942400984.db2.gz CFQBODASIPZRTB-SFYZADRCSA-N 0 2 269.253 1.810 20 5 CDBDLN C[C@H]1C[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CCO1 ZINC001228973187 942402243 /nfs/dbraw/zinc/40/22/43/942402243.db2.gz HRIUSYJLNMINOD-CBAPKCEASA-N 0 2 269.253 1.952 20 5 CDBDLN CC[C@H](C[C@H](C)CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436973588 362159216 /nfs/dbraw/zinc/15/92/16/362159216.db2.gz TXUGKCIDYCWPSC-VHSXEESVSA-N 0 2 296.323 1.827 20 5 CDBDLN Cc1noc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436961325 362153275 /nfs/dbraw/zinc/15/32/75/362153275.db2.gz BFYGQGHOGPRJHA-ZCFIWIBFSA-N 0 2 292.251 1.483 20 5 CDBDLN CCOC(=O)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985679 362247946 /nfs/dbraw/zinc/24/79/46/362247946.db2.gz FJGDBFNXAQIYCE-QMMMGPOBSA-N 0 2 296.279 1.229 20 5 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