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DADYGRRYRRNMSA-UHFFFAOYSA-N -1 1 330.300 0.573 20 5 ECBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000525128348 301829070 /nfs/dbraw/zinc/82/90/70/301829070.db2.gz IKJBWNBFSRFTGI-MRVPVSSYSA-N -1 1 330.366 0.571 20 5 ECBDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000535498608 302121006 /nfs/dbraw/zinc/12/10/06/302121006.db2.gz QIMWJJHGOLASHS-UHFFFAOYSA-N -1 1 345.377 0.373 20 5 ECBDMM O=C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])NCc1ccco1 ZINC000536016787 302132430 /nfs/dbraw/zinc/13/24/30/302132430.db2.gz FRPHSVRPJSXVFQ-UHFFFAOYSA-N -1 1 340.317 0.178 20 5 ECBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000537749976 302155383 /nfs/dbraw/zinc/15/53/83/302155383.db2.gz PDWJCGACBMRDJS-GWCFXTLKSA-N -1 1 343.361 0.606 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]Cc2nnc(C)s2)c([N+](=O)[O-])n1 ZINC000543728870 302217803 /nfs/dbraw/zinc/21/78/03/302217803.db2.gz QYANJCMNPZYMPI-UHFFFAOYSA-N -1 1 332.367 0.450 20 5 ECBDMM CN(C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272338181 436711767 /nfs/dbraw/zinc/71/17/67/436711767.db2.gz HEEVNIKYJNSUHE-UHFFFAOYSA-N -1 1 336.348 0.146 20 5 ECBDMM C[C@@H](CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000273593008 436768959 /nfs/dbraw/zinc/76/89/59/436768959.db2.gz UNOPMOJWJJARFD-ZETCQYMHSA-N -1 1 330.308 0.860 20 5 ECBDMM O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155528308 436797507 /nfs/dbraw/zinc/79/75/07/436797507.db2.gz WDHFVDQEEASGGT-SNVBAGLBSA-N -1 1 332.320 0.893 20 5 ECBDMM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000276012861 437044841 /nfs/dbraw/zinc/04/48/41/437044841.db2.gz QUKNZNYAVNMQCN-XVKPBYJWSA-N -1 1 332.259 0.725 20 5 ECBDMM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000289669402 437432988 /nfs/dbraw/zinc/43/29/88/437432988.db2.gz UTLVSJCSAFQSTC-WPRPVWTQSA-N -1 1 336.753 0.940 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C)no2)c([N+](=O)[O-])n1 ZINC000339042000 437437546 /nfs/dbraw/zinc/43/75/46/437437546.db2.gz WQPDTFUUQGCCOM-LURJTMIESA-N -1 1 330.326 0.542 20 5 ECBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)OC ZINC000339045095 437438120 /nfs/dbraw/zinc/43/81/20/437438120.db2.gz QJGREOUOHKFAPB-PSASIEDQSA-N -1 1 348.381 0.677 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c([N+](=O)[O-])n1 ZINC000339691544 437495313 /nfs/dbraw/zinc/49/53/13/437495313.db2.gz ZBWNLLKFQLZKJR-UHFFFAOYSA-N -1 1 337.321 0.883 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c([N+](=O)[O-])n1 ZINC000339691544 437495319 /nfs/dbraw/zinc/49/53/19/437495319.db2.gz ZBWNLLKFQLZKJR-UHFFFAOYSA-N -1 1 337.321 0.883 20 5 ECBDMM NC(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000360062922 437512544 /nfs/dbraw/zinc/51/25/44/437512544.db2.gz YPVNYFALMYWDTO-UHFFFAOYSA-N -1 1 333.391 0.980 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(C)(C)O)c([N+](=O)[O-])n1 ZINC000360138941 437534429 /nfs/dbraw/zinc/53/44/29/437534429.db2.gz IQMSDLAGGUVRLU-JTQLQIEISA-N -1 1 334.398 0.885 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c([N+](=O)[O-])n1 ZINC000360379241 437591952 /nfs/dbraw/zinc/59/19/52/437591952.db2.gz SFCSHDPQXNJHAS-SNVBAGLBSA-N -1 1 332.382 0.641 20 5 ECBDMM COCCOC[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000361901399 437695289 /nfs/dbraw/zinc/69/52/89/437695289.db2.gz LDGIOZFYYFWKPZ-JTQLQIEISA-N -1 1 325.321 0.821 20 5 ECBDMM O=C(NC1(c2nn[n-]n2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357067473 437901461 /nfs/dbraw/zinc/90/14/61/437901461.db2.gz JUBKTNSWADLBTM-UHFFFAOYSA-N -1 1 340.303 0.713 20 5 ECBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)s1 ZINC000352992154 438498300 /nfs/dbraw/zinc/49/83/00/438498300.db2.gz RARFVGQZBMZEMM-SSDOTTSWSA-N -1 1 340.404 0.369 20 5 ECBDMM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000369674202 438501470 /nfs/dbraw/zinc/50/14/70/438501470.db2.gz PMGHDBIBGGRYTC-IWSPIJDZSA-N -1 1 345.402 0.944 20 5 ECBDMM CC[C@@](COC)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC ZINC000591329491 439004049 /nfs/dbraw/zinc/00/40/49/439004049.db2.gz JJSHATMVODOLSN-LBPRGKRZSA-N -1 1 347.349 0.236 20 5 ECBDMM O=[N+]([O-])c1c([N-]c2cnn(CCO)c2)ncnc1N1CCOCC1 ZINC000598590485 439282270 /nfs/dbraw/zinc/28/22/70/439282270.db2.gz ZXCXWNVULZUOJA-UHFFFAOYSA-N -1 1 335.324 0.154 20 5 ECBDMM CCS(=O)(=O)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000598775314 439313188 /nfs/dbraw/zinc/31/31/88/439313188.db2.gz PSQQXQKLXRCWAO-UHFFFAOYSA-N -1 1 329.334 0.393 20 5 ECBDMM NC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000593637437 439430353 /nfs/dbraw/zinc/43/03/53/439430353.db2.gz NVVKSGBTWNVBLI-KNVOCYPGSA-N -1 1 333.753 0.790 20 5 ECBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC1CC1 ZINC000583208706 439433805 /nfs/dbraw/zinc/43/38/05/439433805.db2.gz MOHJOGIYFUUTHF-SNVBAGLBSA-N -1 1 343.361 0.857 20 5 ECBDMM CCCc1cc(=O)n2[n-]c(NC(=O)Cn3ccc([N+](=O)[O-])n3)nc2n1 ZINC000608865911 439547922 /nfs/dbraw/zinc/54/79/22/439547922.db2.gz CZUQFSVHMXHIFB-UHFFFAOYSA-N -1 1 346.307 0.114 20 5 ECBDMM CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584365966 439583902 /nfs/dbraw/zinc/58/39/02/439583902.db2.gz UMUMTPDDXOLCGQ-KOLCDFICSA-N -1 1 347.393 0.426 20 5 ECBDMM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])[n-]1)CC2 ZINC000609877068 439590417 /nfs/dbraw/zinc/59/04/17/439590417.db2.gz JJSKRQMZFYPWJB-UHFFFAOYSA-N -1 1 336.329 0.773 20 5 ECBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnnn2C2CC2)s1 ZINC000610269095 439607831 /nfs/dbraw/zinc/60/78/31/439607831.db2.gz FTTFCSDTCBVHOT-UHFFFAOYSA-N -1 1 330.351 0.456 20 5 ECBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)c1C ZINC000611497945 439701966 /nfs/dbraw/zinc/70/19/66/439701966.db2.gz LWMFNOGXVJAENY-UHFFFAOYSA-N -1 1 339.333 0.834 20 5 ECBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(N)=O)[nH]n1 ZINC000611164906 439676513 /nfs/dbraw/zinc/67/65/13/439676513.db2.gz WMRWKERXQKVZQV-UHFFFAOYSA-N -1 1 325.306 0.526 20 5 ECBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])n1 ZINC000600654923 439682524 /nfs/dbraw/zinc/68/25/24/439682524.db2.gz DWXJWBMDYPLGQV-QMMMGPOBSA-N -1 1 332.338 0.108 20 5 ECBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])n1 ZINC000600654759 439683108 /nfs/dbraw/zinc/68/31/08/439683108.db2.gz DTYXDLZBXJZDOZ-KCJUWKMLSA-N -1 1 332.338 0.250 20 5 ECBDMM NC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000345044598 321171881 /nfs/dbraw/zinc/17/18/81/321171881.db2.gz UTXGFCQZVZOTMD-MRVPVSSYSA-N -1 1 348.406 0.725 20 5 ECBDMM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000534288503 322075062 /nfs/dbraw/zinc/07/50/62/322075062.db2.gz ZQGQRAGMHOJUEJ-RKDXNWHRSA-N -1 1 328.350 0.183 20 5 ECBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798147994 578639550 /nfs/dbraw/zinc/63/95/50/578639550.db2.gz ITQRPAWVXPEHOG-UHFFFAOYSA-N -1 1 332.320 0.161 20 5 ECBDMM COCCCNC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072332 578686218 /nfs/dbraw/zinc/68/62/18/578686218.db2.gz PMYOZWBRPQRHRO-SECBINFHSA-N -1 1 326.305 0.998 20 5 ECBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCSC[C@@H]1c1nn[nH]n1 ZINC000788147064 578829170 /nfs/dbraw/zinc/82/91/70/578829170.db2.gz GNBIQWCYEMYRJE-SECBINFHSA-N -1 1 336.333 0.744 20 5 ECBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000763009196 579553104 /nfs/dbraw/zinc/55/31/04/579553104.db2.gz WATJMOQZMPIRIR-SECBINFHSA-N -1 1 336.333 0.744 20 5 ECBDMM CCCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842333210 589027579 /nfs/dbraw/zinc/02/75/79/589027579.db2.gz CJDZKDVQZIHFME-VXGBXAGGSA-N -1 1 328.346 0.946 20 5 ECBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1=O ZINC000748656806 586866273 /nfs/dbraw/zinc/86/62/73/586866273.db2.gz LRNSMYRDJKMCLT-SECBINFHSA-N -1 1 331.325 0.633 20 5 ECBDMM Cn1ncc(CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000815053505 587281696 /nfs/dbraw/zinc/28/16/96/587281696.db2.gz SEVKOCJZWUCERW-UHFFFAOYSA-N -1 1 326.338 0.029 20 5 ECBDMM C[C@@H]1C[C@H]1N1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1=O ZINC000820677534 587549740 /nfs/dbraw/zinc/54/97/40/587549740.db2.gz QVINMEZNMMHLJT-NQMVMOMDSA-N -1 1 344.335 0.591 20 5 ECBDMM C[C@@H]1C[C@H]1N1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1=O ZINC000820677534 587549742 /nfs/dbraw/zinc/54/97/42/587549742.db2.gz QVINMEZNMMHLJT-NQMVMOMDSA-N -1 1 344.335 0.591 20 5 ECBDMM CCc1nnc2n1CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000821554793 587600122 /nfs/dbraw/zinc/60/01/22/587600122.db2.gz SFDYXGWLZAKCHU-UHFFFAOYSA-N -1 1 342.323 0.344 20 5 ECBDMM CCc1nnc2n1CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000821554793 587600123 /nfs/dbraw/zinc/60/01/23/587600123.db2.gz SFDYXGWLZAKCHU-UHFFFAOYSA-N -1 1 342.323 0.344 20 5 ECBDMM CN(CCN1CCCC1=O)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821601365 587605242 /nfs/dbraw/zinc/60/52/42/587605242.db2.gz CWYOSHHFGWRBLN-UHFFFAOYSA-N -1 1 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ECBDMM O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000827562580 588128304 /nfs/dbraw/zinc/12/83/04/588128304.db2.gz OZNWMAYPJASMJW-CMPLNLGQSA-N -1 1 332.320 0.548 20 5 ECBDMM CCc1n[nH]c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000830203288 588365389 /nfs/dbraw/zinc/36/53/89/588365389.db2.gz XZNIMFJLSPPXRO-SECBINFHSA-N -1 1 339.352 0.501 20 5 ECBDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000847893121 589269737 /nfs/dbraw/zinc/26/97/37/589269737.db2.gz OFDILQVWOBHUBZ-LLVKDONJSA-N -1 1 330.366 0.381 20 5 ECBDMM CN(C(=O)c1ncccc1[O-])C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001042642505 780579911 /nfs/dbraw/zinc/57/99/11/780579911.db2.gz KPADFJWYJKCNIZ-UHFFFAOYSA-N -1 1 346.347 0.385 20 5 ECBDMM CN1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)C1=O ZINC000447746128 211204446 /nfs/dbraw/zinc/20/44/46/211204446.db2.gz PAPZZAIWJWUQHW-UHFFFAOYSA-N -1 1 334.332 0.780 20 5 ECBDMM NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445194269 211115703 /nfs/dbraw/zinc/11/57/03/211115703.db2.gz UDLSRPVXQMXJQC-LLVKDONJSA-N -1 1 330.300 0.522 20 5 ECBDMM O=C(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC1CC1 ZINC000194403335 165066687 /nfs/dbraw/zinc/06/66/87/165066687.db2.gz VOWFEDYXYSGQTK-UHFFFAOYSA-N -1 1 333.391 0.993 20 5 ECBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OCCO ZINC000288512439 264530387 /nfs/dbraw/zinc/53/03/87/264530387.db2.gz KAHGJNDDCSIJEH-UHFFFAOYSA-N -1 1 336.341 0.800 20 5 ECBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000339204309 297325146 /nfs/dbraw/zinc/32/51/46/297325146.db2.gz VPOSBNDANBYOAP-SECBINFHSA-N -1 1 336.308 0.595 20 5 ECBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)S1(=O)=O ZINC000346347436 298262812 /nfs/dbraw/zinc/26/28/12/298262812.db2.gz ITTRVQGMJGEZHA-WCBMZHEXSA-N -1 1 343.361 0.733 20 5 ECBDMM Cn1c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])ccc1[N+](=O)[O-] ZINC000347714616 298493292 /nfs/dbraw/zinc/49/32/92/298493292.db2.gz DLMJFUZGWGSBOB-UHFFFAOYSA-N -1 1 340.317 0.539 20 5 ECBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000364529478 300364766 /nfs/dbraw/zinc/36/47/66/300364766.db2.gz PDAGVQDOMDAUHM-BTDICHCPSA-N -1 1 330.304 0.721 20 5 ECBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000537749990 302155590 /nfs/dbraw/zinc/15/55/90/302155590.db2.gz PDWJCGACBMRDJS-MFKMUULPSA-N -1 1 343.361 0.606 20 5 ECBDMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O ZINC000114743275 436643846 /nfs/dbraw/zinc/64/38/46/436643846.db2.gz FLKGNLPBALFRBR-QMMMGPOBSA-N -1 1 333.391 0.944 20 5 ECBDMM O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540908675 302179731 /nfs/dbraw/zinc/17/97/31/302179731.db2.gz LXOHAJYYVRRDBE-MRVPVSSYSA-N -1 1 346.303 0.856 20 5 ECBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000548696725 302321440 /nfs/dbraw/zinc/32/14/40/302321440.db2.gz YSOKPDJFTITJSM-SECBINFHSA-N -1 1 335.407 0.655 20 5 ECBDMM CS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001440 436676010 /nfs/dbraw/zinc/67/60/10/436676010.db2.gz UMZARRHRGZQSOL-UHFFFAOYSA-N -1 1 328.393 0.369 20 5 ECBDMM CC(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066327456 436682557 /nfs/dbraw/zinc/68/25/57/436682557.db2.gz MOCBGVGJJDMJCG-UHFFFAOYSA-N -1 1 333.391 0.946 20 5 ECBDMM Cc1nn(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000273573864 436767794 /nfs/dbraw/zinc/76/77/94/436767794.db2.gz LVEVGLNLUIILGX-MRVPVSSYSA-N -1 1 336.356 0.573 20 5 ECBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000157106861 436823479 /nfs/dbraw/zinc/82/34/79/436823479.db2.gz AKWBMALVWGEYPC-SSDOTTSWSA-N -1 1 338.338 0.199 20 5 ECBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000274959498 436899183 /nfs/dbraw/zinc/89/91/83/436899183.db2.gz UWCXMPLFXKLZHX-SECBINFHSA-N -1 1 345.377 0.981 20 5 ECBDMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](C(=O)[O-])O1 ZINC000262095952 436907149 /nfs/dbraw/zinc/90/71/49/436907149.db2.gz BPEOAAQSSKHVNI-HQJQHLMTSA-N -1 1 334.288 0.785 20 5 ECBDMM CN(Cc1ncnn1CC(F)F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278998697 437362450 /nfs/dbraw/zinc/36/24/50/437362450.db2.gz QYHBJWSEGZATKD-UHFFFAOYSA-N -1 1 342.262 0.824 20 5 ECBDMM NC(=O)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268511641 437428632 /nfs/dbraw/zinc/42/86/32/437428632.db2.gz CJUVWTOHKGEINI-UHFFFAOYSA-N -1 1 337.741 0.028 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]CCC(=O)OC(C)C)c([N+](=O)[O-])n1 ZINC000339042157 437436999 /nfs/dbraw/zinc/43/69/99/437436999.db2.gz RINAPAYIAPXEAR-UHFFFAOYSA-N -1 1 334.354 0.431 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]C[C@](C)(O)CSC)c([N+](=O)[O-])n1 ZINC000339047583 437438132 /nfs/dbraw/zinc/43/81/32/437438132.db2.gz HNMSVDRRJWZASN-JTQLQIEISA-N -1 1 338.411 0.204 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c([N+](=O)[O-])n1 ZINC000351403917 438261046 /nfs/dbraw/zinc/26/10/46/438261046.db2.gz ZWTHPFIDFOOOLD-UHFFFAOYSA-N -1 1 341.353 0.998 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]CCCN2CCCC2=O)c([N+](=O)[O-])n1 ZINC000435809320 438387688 /nfs/dbraw/zinc/38/76/88/438387688.db2.gz OZSRGXWYKPWGPP-UHFFFAOYSA-N -1 1 345.381 0.102 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](OC)C2CC2)c([N+](=O)[O-])n1 ZINC000451988911 438624450 /nfs/dbraw/zinc/62/44/50/438624450.db2.gz KQPZHAZPCWRHPU-GZMMTYOYSA-N -1 1 332.382 0.903 20 5 ECBDMM O=C(CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)Nc1ccccc1[N+](=O)[O-] ZINC000595886161 438875784 /nfs/dbraw/zinc/87/57/84/438875784.db2.gz WLXJKBCFSRZAGJ-MEBBXXQBSA-N -1 1 335.316 0.566 20 5 ECBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000520340398 439079100 /nfs/dbraw/zinc/07/91/00/439079100.db2.gz UTMUTIJWGCEBAX-PHIMTYICSA-N -1 1 342.377 0.131 20 5 ECBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000598401053 439260829 /nfs/dbraw/zinc/26/08/29/439260829.db2.gz CESNQFTUSYOCFD-JTQLQIEISA-N -1 1 334.332 0.780 20 5 ECBDMM Cc1n[nH]c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1[N+](=O)[O-] ZINC000604546788 439319406 /nfs/dbraw/zinc/31/94/06/439319406.db2.gz CYQIQUVVWYWDRI-VIFPVBQESA-N -1 1 328.292 0.659 20 5 ECBDMM CCNC(=O)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000569903043 439374389 /nfs/dbraw/zinc/37/43/89/439374389.db2.gz DLTRMGIKHVZQCL-UHFFFAOYSA-N -1 1 342.377 0.575 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)CCC(C)C)c([N+](=O)[O-])n1 ZINC000599410697 439461868 /nfs/dbraw/zinc/46/18/68/439461868.db2.gz OJEKIJAKTCWIEI-SNVBAGLBSA-N -1 1 334.398 0.887 20 5 ECBDMM O=C(NCc1nn[n-]n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000609532722 439573282 /nfs/dbraw/zinc/57/32/82/439573282.db2.gz PEJQCEFXWHURLE-UHFFFAOYSA-N -1 1 346.225 0.979 20 5 ECBDMM COC(=O)C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000594861571 439631556 /nfs/dbraw/zinc/63/15/56/439631556.db2.gz QNJAXFVVNSCMFV-SNVBAGLBSA-N -1 1 343.361 0.857 20 5 ECBDMM NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000600234439 439627686 /nfs/dbraw/zinc/62/76/86/439627686.db2.gz MATQCDPAFBKXII-NSHDSACASA-N -1 1 336.348 0.370 20 5 ECBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)s1 ZINC000615747632 439805821 /nfs/dbraw/zinc/80/58/21/439805821.db2.gz UTMLTWKLOKAJEH-UHFFFAOYSA-N -1 1 340.404 0.369 20 5 ECBDMM O=C([N-]CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281841756 320604360 /nfs/dbraw/zinc/60/43/60/320604360.db2.gz XFEJHOXHCABAIP-UHFFFAOYSA-N -1 1 349.269 0.849 20 5 ECBDMM CS(=O)(=O)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC000288374393 320652005 /nfs/dbraw/zinc/65/20/05/320652005.db2.gz NKLCEHYNJZXKDE-UHFFFAOYSA-N -1 1 343.361 0.783 20 5 ECBDMM C[C@H](CN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nn[n-]n1 ZINC000548138607 322149564 /nfs/dbraw/zinc/14/95/64/322149564.db2.gz RNCUKNNBMBIWCA-SSDOTTSWSA-N -1 1 334.292 0.712 20 5 ECBDMM CC(C)(C)S(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000265096184 535021136 /nfs/dbraw/zinc/02/11/36/535021136.db2.gz VQIUCLHFJWTORG-UHFFFAOYSA-N -1 1 331.350 0.639 20 5 ECBDMM Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000757878142 579465179 /nfs/dbraw/zinc/46/51/79/579465179.db2.gz XQJMRNQIHQFRRE-LLVKDONJSA-N -1 1 340.303 0.605 20 5 ECBDMM COc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1[N+](=O)[O-] ZINC000737100702 578478126 /nfs/dbraw/zinc/47/81/26/578478126.db2.gz ZYTJUBZUTROTIK-UHFFFAOYSA-N -1 1 328.288 0.994 20 5 ECBDMM Cc1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000798148113 578639496 /nfs/dbraw/zinc/63/94/96/578639496.db2.gz NKVKMOJNBYKOOS-UHFFFAOYSA-N -1 1 332.320 0.540 20 5 ECBDMM C[C@@H](NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000780074820 578686456 /nfs/dbraw/zinc/68/64/56/578686456.db2.gz IEUQSFJWJDUQDU-MRVPVSSYSA-N -1 1 339.304 0.050 20 5 ECBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CCc1nc[nH]n1 ZINC000789488881 578855687 /nfs/dbraw/zinc/85/56/87/578855687.db2.gz JXEVOPMDMBBSRO-UHFFFAOYSA-N -1 1 339.333 0.459 20 5 ECBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOCCO ZINC000815017319 587280823 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/nfs/dbraw/zinc/06/78/40/579067840.db2.gz BZINKNYDSCUNSR-SNVBAGLBSA-N -1 1 333.308 0.363 20 5 ECBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CC1 ZINC000769050311 579137075 /nfs/dbraw/zinc/13/70/75/579137075.db2.gz SRWNWGPLSCYKTG-SSDOTTSWSA-N -1 1 337.288 0.834 20 5 ECBDMM CCC1N=NC(=S)N1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770532975 579170012 /nfs/dbraw/zinc/17/00/12/579170012.db2.gz RQAAKIJDKAYXET-UHFFFAOYSA-N -1 1 338.349 0.568 20 5 ECBDMM Nc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000773163083 579221482 /nfs/dbraw/zinc/22/14/82/579221482.db2.gz SPJLBCOINBVLET-JTQLQIEISA-N -1 1 335.349 0.620 20 5 ECBDMM CNC(=O)Cn1cnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000741998465 579779118 /nfs/dbraw/zinc/77/91/18/579779118.db2.gz WUJZFJAHEBDBPD-UHFFFAOYSA-N -1 1 338.711 0.838 20 5 ECBDMM CC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)cc1C ZINC000842346237 589028191 /nfs/dbraw/zinc/02/81/91/589028191.db2.gz FLHYSUYZBGARGO-VXGBXAGGSA-N -1 1 340.357 0.976 20 5 ECBDMM Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819968118 587499801 /nfs/dbraw/zinc/49/98/01/587499801.db2.gz BQXUVZFSISRXAY-SSDOTTSWSA-N -1 1 334.292 0.680 20 5 ECBDMM C[C@@H](CN1CCCC1=O)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820252396 587520874 /nfs/dbraw/zinc/52/08/74/587520874.db2.gz ABZLVNJVGDVHKL-QMMMGPOBSA-N -1 1 332.324 0.593 20 5 ECBDMM C[C@@H](CN1CCCC1=O)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820252396 587520875 /nfs/dbraw/zinc/52/08/75/587520875.db2.gz ABZLVNJVGDVHKL-QMMMGPOBSA-N -1 1 332.324 0.593 20 5 ECBDMM COCc1nc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]1 ZINC000821696878 587624973 /nfs/dbraw/zinc/62/49/73/587624973.db2.gz SRPRSSFZJCWWOF-UHFFFAOYSA-N -1 1 335.309 0.586 20 5 ECBDMM NC(=O)CC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822864663 587685958 /nfs/dbraw/zinc/68/59/58/587685958.db2.gz HOWBARGKJJLXMX-UHFFFAOYSA-N -1 1 332.324 0.262 20 5 ECBDMM NC(=O)CC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822864663 587685959 /nfs/dbraw/zinc/68/59/59/587685959.db2.gz HOWBARGKJJLXMX-UHFFFAOYSA-N -1 1 332.324 0.262 20 5 ECBDMM O=C1CCC(=O)N1CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823525913 587726505 /nfs/dbraw/zinc/72/65/05/587726505.db2.gz VRFIRXLCCCNZAW-UHFFFAOYSA-N -1 1 346.307 0.121 20 5 ECBDMM O=C1CCC(=O)N1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823525913 587726507 /nfs/dbraw/zinc/72/65/07/587726507.db2.gz VRFIRXLCCCNZAW-UHFFFAOYSA-N -1 1 346.307 0.121 20 5 ECBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@]1(CCO)CCOC1 ZINC000823620697 587734216 /nfs/dbraw/zinc/73/42/16/587734216.db2.gz OOEFASMJYKAOQL-CYBMUJFWSA-N -1 1 335.324 0.371 20 5 ECBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@]1(CCO)CCOC1 ZINC000823620697 587734217 /nfs/dbraw/zinc/73/42/17/587734217.db2.gz OOEFASMJYKAOQL-CYBMUJFWSA-N -1 1 335.324 0.371 20 5 ECBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCO[C@@H]1CCOC1 ZINC000823625201 587734959 /nfs/dbraw/zinc/73/49/59/587734959.db2.gz SVQFDDOOKRBUCG-SECBINFHSA-N -1 1 335.324 0.777 20 5 ECBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCO[C@@H]1CCOC1 ZINC000823625201 587734961 /nfs/dbraw/zinc/73/49/61/587734961.db2.gz SVQFDDOOKRBUCG-SECBINFHSA-N -1 1 335.324 0.777 20 5 ECBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](n2cncn2)C1 ZINC000823621191 587735095 /nfs/dbraw/zinc/73/50/95/587735095.db2.gz YVSXQXSOXQPDNO-SECBINFHSA-N -1 1 342.323 0.603 20 5 ECBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](n2cncn2)C1 ZINC000823621191 587735096 /nfs/dbraw/zinc/73/50/96/587735096.db2.gz YVSXQXSOXQPDNO-SECBINFHSA-N -1 1 342.323 0.603 20 5 ECBDMM CC(=O)OC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824010944 587848293 /nfs/dbraw/zinc/84/82/93/587848293.db2.gz UTZUWFUAXJBYEN-UHFFFAOYSA-N -1 1 333.308 0.702 20 5 ECBDMM CC(=O)OC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824010944 587848294 /nfs/dbraw/zinc/84/82/94/587848294.db2.gz UTZUWFUAXJBYEN-UHFFFAOYSA-N -1 1 333.308 0.702 20 5 ECBDMM CCN(CCS(C)(=O)=O)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825424690 587940077 /nfs/dbraw/zinc/94/00/77/587940077.db2.gz NSRRDLPWHXZCGV-UHFFFAOYSA-N -1 1 341.353 0.041 20 5 ECBDMM CCN(CCS(C)(=O)=O)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825424690 587940078 /nfs/dbraw/zinc/94/00/78/587940078.db2.gz NSRRDLPWHXZCGV-UHFFFAOYSA-N -1 1 341.353 0.041 20 5 ECBDMM Cc1onc(CC(=O)NCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826348023 588031766 /nfs/dbraw/zinc/03/17/66/588031766.db2.gz QJQFJUIFAVAVNK-UHFFFAOYSA-N -1 1 343.303 0.930 20 5 ECBDMM Cc1onc(CC(=O)NCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826348023 588031768 /nfs/dbraw/zinc/03/17/68/588031768.db2.gz QJQFJUIFAVAVNK-UHFFFAOYSA-N -1 1 343.303 0.930 20 5 ECBDMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828059825 588155780 /nfs/dbraw/zinc/15/57/80/588155780.db2.gz UTLVSJCSAFQSTC-PSASIEDQSA-N -1 1 336.753 0.940 20 5 ECBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cn(C)nc2[N+](=O)[O-])co1 ZINC000847784348 589265564 /nfs/dbraw/zinc/26/55/64/589265564.db2.gz STLATHVJJZITJA-UHFFFAOYSA-N -1 1 344.305 0.186 20 5 ECBDMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194335723 612171894 /nfs/dbraw/zinc/17/18/94/612171894.db2.gz CFKCKWQIWSLNOM-UHFFFAOYSA-N -1 1 333.341 0.784 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2cc(C)n[nH]2)c([N+](=O)[O-])n1 ZINC001211984379 752238842 /nfs/dbraw/zinc/23/88/42/752238842.db2.gz AWDLRMOCXZFEOP-VIFPVBQESA-N -1 1 342.381 0.752 20 5 ECBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nnnn1C ZINC001213953108 752627394 /nfs/dbraw/zinc/62/73/94/752627394.db2.gz UEZSIAZOLJMVGV-ZCFIWIBFSA-N -1 1 330.301 0.297 20 5 ECBDMM Cc1cc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)on1 ZINC000125724875 222600251 /nfs/dbraw/zinc/60/02/51/222600251.db2.gz FDKODPZWGRCGQI-UHFFFAOYSA-N -1 1 347.331 0.950 20 5 ECBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Cn2ccnn2)CC1 ZINC000193750932 240294290 /nfs/dbraw/zinc/29/42/90/240294290.db2.gz VTDBPTMPMPOLAR-UHFFFAOYSA-N -1 1 332.320 0.839 20 5 ECBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000230847935 242266025 /nfs/dbraw/zinc/26/60/25/242266025.db2.gz ZDPKXFUHSRCCMS-SECBINFHSA-N -1 1 328.268 0.937 20 5 ECBDMM C[C@@H](CN(C)C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000286795225 264424958 /nfs/dbraw/zinc/42/49/58/264424958.db2.gz KBKILNBMIKYXAZ-QMMMGPOBSA-N -1 1 331.350 0.521 20 5 ECBDMM Cc1nn(C)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1[N+](=O)[O-] ZINC000339188151 297324430 /nfs/dbraw/zinc/32/44/30/297324430.db2.gz FOKSQJOJLPWIFJ-UHFFFAOYSA-N -1 1 336.308 0.745 20 5 ECBDMM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000339784767 297384960 /nfs/dbraw/zinc/38/49/60/297384960.db2.gz WJVKPLTXGPPYFI-MRVPVSSYSA-N -1 1 332.363 0.402 20 5 ECBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)s1 ZINC000341019355 297588136 /nfs/dbraw/zinc/58/81/36/297588136.db2.gz KMMJTWQKDBAJTQ-NSHDSACASA-N -1 1 336.391 0.724 20 5 ECBDMM O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000363666560 300284655 /nfs/dbraw/zinc/28/46/55/300284655.db2.gz UFLAELKWHBHLOJ-LBPRGKRZSA-N -1 1 346.274 0.980 20 5 ECBDMM Nc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364529357 300365037 /nfs/dbraw/zinc/36/50/37/300365037.db2.gz OMEXBNYQTWYYQU-SECBINFHSA-N -1 1 337.271 0.043 20 5 ECBDMM CCOc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000377596268 301363411 /nfs/dbraw/zinc/36/34/11/301363411.db2.gz XOEYSPBTHWKINL-LBPRGKRZSA-N -1 1 348.319 0.720 20 5 ECBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377599989 301364056 /nfs/dbraw/zinc/36/40/56/301364056.db2.gz KUALOUPZWLMAPZ-LLVKDONJSA-N -1 1 334.292 0.087 20 5 ECBDMM O=C(NCCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813828 436195550 /nfs/dbraw/zinc/19/55/50/436195550.db2.gz CYLKRAVXEUBWEN-UHFFFAOYSA-N -1 1 331.284 0.984 20 5 ECBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000523577564 301813467 /nfs/dbraw/zinc/81/34/67/301813467.db2.gz TWLYIQRLQXYHKO-SNVBAGLBSA-N -1 1 334.332 0.922 20 5 ECBDMM CC[C@]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000541918060 302194135 /nfs/dbraw/zinc/19/41/35/302194135.db2.gz MOLVTSPMYUOFIU-GFCCVEGCSA-N -1 1 330.366 0.558 20 5 ECBDMM O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155528202 436797765 /nfs/dbraw/zinc/79/77/65/436797765.db2.gz WDHFVDQEEASGGT-JTQLQIEISA-N -1 1 332.320 0.893 20 5 ECBDMM CCO[C@@H]1C[C@@](CO)(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000275726394 437005615 /nfs/dbraw/zinc/00/56/15/437005615.db2.gz XTHUZNOSKXAYHO-ABAIWWIYSA-N -1 1 339.348 0.991 20 5 ECBDMM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nnn[n-]1 ZINC000263985692 437011327 /nfs/dbraw/zinc/01/13/27/437011327.db2.gz DCDNQYUXEXNLGN-UHFFFAOYSA-N -1 1 333.264 0.435 20 5 ECBDMM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nn[n-]n1 ZINC000263985692 437011331 /nfs/dbraw/zinc/01/13/31/437011331.db2.gz DCDNQYUXEXNLGN-UHFFFAOYSA-N -1 1 333.264 0.435 20 5 ECBDMM O=C(NCCN1C(=O)CSC1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277931109 437265376 /nfs/dbraw/zinc/26/53/76/437265376.db2.gz 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ZINC000600654766 439681979 /nfs/dbraw/zinc/68/19/79/439681979.db2.gz DVGAGCKNSXDDTM-ZETCQYMHSA-N -1 1 334.354 0.496 20 5 ECBDMM Cc1oc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000600653905 439682179 /nfs/dbraw/zinc/68/21/79/439682179.db2.gz QGRDPMOAUPQZJH-UHFFFAOYSA-N -1 1 344.305 0.406 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c([N+](=O)[O-])n1 ZINC000611242868 439685835 /nfs/dbraw/zinc/68/58/35/439685835.db2.gz HECOIKMXPMAICY-AOOOYVTPSA-N -1 1 332.382 0.641 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(CO)c2)c([N+](=O)[O-])n1 ZINC000339046899 320968351 /nfs/dbraw/zinc/96/83/51/320968351.db2.gz ZWRVTBIGFOILQA-UHFFFAOYSA-N -1 1 340.361 0.782 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C)cn(C)c2=O)c([N+](=O)[O-])n1 ZINC000339687438 320997955 /nfs/dbraw/zinc/99/79/55/320997955.db2.gz JEYDAEZXCDCAOH-UHFFFAOYSA-N -1 1 341.349 0.619 20 5 ECBDMM COCCOC[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000361901400 321622261 /nfs/dbraw/zinc/62/22/61/321622261.db2.gz LDGIOZFYYFWKPZ-SNVBAGLBSA-N -1 1 325.321 0.821 20 5 ECBDMM Cn1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000362983442 321652751 /nfs/dbraw/zinc/65/27/51/321652751.db2.gz TWWSBFLISGUHEM-UHFFFAOYSA-N -1 1 349.332 0.145 20 5 ECBDMM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc2cn[nH]c21 ZINC000750762477 579358336 /nfs/dbraw/zinc/35/83/36/579358336.db2.gz XENMAPYZDNNAOU-UHFFFAOYSA-N -1 1 347.312 0.985 20 5 ECBDMM CCn1cc(S(=O)(=O)[N-][C@@](C)(CC)CC(=O)OC)c([N+](=O)[O-])n1 ZINC000754816468 579424390 /nfs/dbraw/zinc/42/43/90/579424390.db2.gz RWJXBYSSGIGEMG-LBPRGKRZSA-N -1 1 348.381 0.821 20 5 ECBDMM CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)n1 ZINC000755562823 579435243 /nfs/dbraw/zinc/43/52/43/579435243.db2.gz JXMKPXUFUJWQGB-UHFFFAOYSA-N -1 1 346.299 0.925 20 5 ECBDMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000727852483 578285448 /nfs/dbraw/zinc/28/54/48/578285448.db2.gz WOZMEMOHUBGLFN-SNVBAGLBSA-N -1 1 332.316 0.712 20 5 ECBDMM COCCN1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737814075 578529577 /nfs/dbraw/zinc/52/95/77/578529577.db2.gz VJFRZXCTBOFSPS-GFCCVEGCSA-N -1 1 337.332 0.744 20 5 ECBDMM Cn1[n-]c(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc1=O ZINC000785676855 578773144 /nfs/dbraw/zinc/77/31/44/578773144.db2.gz HMYCWDMPPQYUAT-UHFFFAOYSA-N -1 1 344.287 0.559 20 5 ECBDMM Cc1c([N+](=O)[O-])cc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000765439432 579066320 /nfs/dbraw/zinc/06/63/20/579066320.db2.gz WFBMVKUOYQYPBJ-UHFFFAOYSA-N -1 1 337.248 0.590 20 5 ECBDMM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773161691 579221161 /nfs/dbraw/zinc/22/11/61/579221161.db2.gz PXSLDBXVZBTVJX-VIFPVBQESA-N -1 1 338.353 0.011 20 5 ECBDMM CCc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC000739539814 579693264 /nfs/dbraw/zinc/69/32/64/579693264.db2.gz ODEBWHIRDNVPNL-APPZFPTMSA-N -1 1 325.325 0.999 20 5 ECBDMM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000842322773 589027309 /nfs/dbraw/zinc/02/73/09/589027309.db2.gz VZSBIBZRCBEQNO-VXNVDRBHSA-N -1 1 345.289 0.074 20 5 ECBDMM CNC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814979003 587280496 /nfs/dbraw/zinc/28/04/96/587280496.db2.gz FDVCUOVBXPCTLD-UHFFFAOYSA-N -1 1 325.705 0.412 20 5 ECBDMM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814996077 587280850 /nfs/dbraw/zinc/28/08/50/587280850.db2.gz DRRZXKBTAPYLQQ-RXMQYKEDSA-N -1 1 339.732 0.800 20 5 ECBDMM CC(C)N1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1=O ZINC000820127641 587511387 /nfs/dbraw/zinc/51/13/87/587511387.db2.gz LACKQLWGYGTPFV-MRVPVSSYSA-N -1 1 332.324 0.591 20 5 ECBDMM CC(C)N1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1=O ZINC000820127641 587511389 /nfs/dbraw/zinc/51/13/89/587511389.db2.gz LACKQLWGYGTPFV-MRVPVSSYSA-N -1 1 332.324 0.591 20 5 ECBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822459841 587660640 /nfs/dbraw/zinc/66/06/40/587660640.db2.gz YNCWJRCLQONRPW-UHFFFAOYSA-N -1 1 335.309 0.375 20 5 ECBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822459841 587660641 /nfs/dbraw/zinc/66/06/41/587660641.db2.gz YNCWJRCLQONRPW-UHFFFAOYSA-N -1 1 335.309 0.375 20 5 ECBDMM Cn1cnc2c1CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000822699342 587676341 /nfs/dbraw/zinc/67/63/41/587676341.db2.gz WYMSXLYKTWZVQJ-UHFFFAOYSA-N -1 1 327.308 0.466 20 5 ECBDMM Cn1cnc2c1CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000822699342 587676343 /nfs/dbraw/zinc/67/63/43/587676343.db2.gz WYMSXLYKTWZVQJ-UHFFFAOYSA-N -1 1 327.308 0.466 20 5 ECBDMM NC(=O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC1 ZINC000822860576 587685375 /nfs/dbraw/zinc/68/53/75/587685375.db2.gz YQTYNBJTDFKRKK-UHFFFAOYSA-N -1 1 332.324 0.628 20 5 ECBDMM NC(=O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC000822860576 587685377 /nfs/dbraw/zinc/68/53/77/587685377.db2.gz YQTYNBJTDFKRKK-UHFFFAOYSA-N -1 1 332.324 0.628 20 5 ECBDMM CCOCCO[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000825604281 587952888 /nfs/dbraw/zinc/95/28/88/587952888.db2.gz HDZOPJZHHORDDK-JTQLQIEISA-N -1 1 349.351 0.802 20 5 ECBDMM CCOCCO[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000825604281 587952890 /nfs/dbraw/zinc/95/28/90/587952890.db2.gz HDZOPJZHHORDDK-JTQLQIEISA-N -1 1 349.351 0.802 20 5 ECBDMM C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1C(=O)[O-] ZINC000826049815 587984750 /nfs/dbraw/zinc/98/47/50/587984750.db2.gz OGHYYZUFQYRLMT-FOGDFJRCSA-N -1 1 327.341 0.225 20 5 ECBDMM COC[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000848587064 589301238 /nfs/dbraw/zinc/30/12/38/589301238.db2.gz BVCGHWLDPKSCSR-SECBINFHSA-N -1 1 333.247 0.183 20 5 ECBDMM Cn1nnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848592385 589301473 /nfs/dbraw/zinc/30/14/73/589301473.db2.gz ZBFWKMSGQLSQED-UHFFFAOYSA-N -1 1 328.235 0.406 20 5 ECBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2onc(C)c2[N+](=O)[O-])co1 ZINC000853906368 589563931 /nfs/dbraw/zinc/56/39/31/589563931.db2.gz NQVGJGZDZYJKTP-UHFFFAOYSA-N -1 1 345.289 0.749 20 5 ECBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000859005441 589792155 /nfs/dbraw/zinc/79/21/55/589792155.db2.gz GXOKGDOOBBIVLJ-SECBINFHSA-N -1 1 340.361 0.860 20 5 ECBDMM O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000859278114 589815528 /nfs/dbraw/zinc/81/55/28/589815528.db2.gz KOEUKUUMKGVGKH-SECBINFHSA-N -1 1 338.711 0.975 20 5 ECBDMM