smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH]c3c(c2c1)c1cnccc1cc3C[NH3+] ZINC000196577442 346276452 /nfs/dbraw/zinc/27/64/52/346276452.db2.gz VHWWJFFPCYVEQN-UHFFFAOYSA-N 1 0 277.327 3.337 10 5 CGBERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217626535 346291165 /nfs/dbraw/zinc/29/11/65/346291165.db2.gz IEPKEOMLDRGPEI-BMFZPTHFSA-N 1 0 292.379 3.329 10 5 CGBERO CC[C@H](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)[NH2+]C ZINC000104438672 186002632 /nfs/dbraw/zinc/00/26/32/186002632.db2.gz PWPHVCJPFWMNHU-NXEZZACHSA-N 1 0 270.760 3.425 10 5 CGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000301762131 201181987 /nfs/dbraw/zinc/18/19/87/201181987.db2.gz DIONSNZJYXCLRT-GFCCVEGCSA-N 1 0 295.358 3.266 10 5 CGBERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164082991 372506173 /nfs/dbraw/zinc/50/61/73/372506173.db2.gz WGVUPARNLPTFAW-UONOGXRCSA-N 1 0 280.368 3.043 10 5 CGBERO CC[C@@H]([NH2+]Cc1cccn1C)c1cccc([N+](=O)[O-])c1 ZINC000175051721 373399084 /nfs/dbraw/zinc/39/90/84/373399084.db2.gz HZNWJHOKMHRNQS-OAHLLOKOSA-N 1 0 273.336 3.174 10 5 CGBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000313447444 374301888 /nfs/dbraw/zinc/30/18/88/374301888.db2.gz BOBVPJGSGBIFHL-QMMMGPOBSA-N 1 0 291.273 3.153 10 5 CGBERO C[N+]1(C)CCN(Cc2ccccc2Cc2ccccc2)CC1 ZINC000031597711 171640836 /nfs/dbraw/zinc/64/08/36/171640836.db2.gz KKRBVFNQHREPCN-UHFFFAOYSA-N 1 0 295.450 3.169 10 5 CGBERO CSC[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000076769470 177087060 /nfs/dbraw/zinc/08/70/60/177087060.db2.gz KOOXDKLYABVQLP-MRVPVSSYSA-N 1 0 274.773 3.089 10 5 CGBERO [NH3+][C@@H]1C[C@@]12CC=C(c1cc([N+](=O)[O-])ccc1F)CC2 ZINC000725265276 544114064 /nfs/dbraw/zinc/11/40/64/544114064.db2.gz WDSMSHBDRPXRBC-KGLIPLIRSA-N 1 0 262.284 3.019 10 5 CGBERO CC[NH+](CC)CCCNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061003679 279099738 /nfs/dbraw/zinc/09/97/38/279099738.db2.gz ILOUMYAIHDODGM-UHFFFAOYSA-N 1 0 299.802 3.070 10 5 CGBERO CCCNc1ccc([N+](=O)[O-])cc1C[NH+](CC)CC ZINC000050792249 520171228 /nfs/dbraw/zinc/17/12/28/520171228.db2.gz RIDZNKXQAMCTIY-UHFFFAOYSA-N 1 0 265.357 3.259 10 5 CGBERO CC[N+](C)(CC)CCCCOC(=O)c1cccc(OC)c1 ZINC000003627829 717096375 /nfs/dbraw/zinc/09/63/75/717096375.db2.gz WFCHPPRZLWCSHR-UHFFFAOYSA-N 1 0 294.415 3.119 10 5 CGBERO O=[N+]([O-])c1ccc(Cl)cc1NCC[C@H]1CCC[NH2+]C1 ZINC000125203293 187174427 /nfs/dbraw/zinc/17/44/27/187174427.db2.gz WZLDNXMXOYCKFZ-SNVBAGLBSA-N 1 0 283.759 3.050 10 5 CGBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000320333052 346488444 /nfs/dbraw/zinc/48/84/44/346488444.db2.gz MJGYOQBGYKZRKA-SFYZADRCSA-N 1 0 291.273 3.151 10 5 CGBERO C[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000038028201 299314013 /nfs/dbraw/zinc/31/40/13/299314013.db2.gz QAFFDUCADFYPLI-KBPBESRZSA-N 1 0 291.395 3.120 10 5 CGBERO C[C@@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000336787091 375937750 /nfs/dbraw/zinc/93/77/50/375937750.db2.gz DJDZFOWWHWQAFT-VIFPVBQESA-N 1 0 271.748 3.178 10 5 CGBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000336837236 376000754 /nfs/dbraw/zinc/00/07/54/376000754.db2.gz LRHKHGJEWIFGTI-QMMMGPOBSA-N 1 0 291.273 3.153 10 5 CGBERO Cc1cc(N[C@@H]2C[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484606 376438009 /nfs/dbraw/zinc/43/80/09/376438009.db2.gz UXVGZEVUGTVVJA-AMIZOPFISA-N 1 0 257.293 3.272 10 5 CGBERO Cc1cc(N[C@@H]2CCO[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228486625 393018626 /nfs/dbraw/zinc/01/86/26/393018626.db2.gz BVXWKQLFIUGQDL-GXFFZTMASA-N 1 0 287.319 3.041 10 5 CGBERO CC(C)(CC[n+]1ccc(-c2ccccc2)cc1)[N+](=O)[O-] ZINC000005284381 170082838 /nfs/dbraw/zinc/08/28/38/170082838.db2.gz FMFZTGLKDDIVQJ-UHFFFAOYSA-N 1 0 271.340 3.087 10 5 CGBERO Cc1c(CC[C@@H]([NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000035649598 172326257 /nfs/dbraw/zinc/32/62/57/172326257.db2.gz VUVIIBGEZASLLW-CYBMUJFWSA-N 1 0 250.342 3.209 10 5 CGBERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000038004902 173966627 /nfs/dbraw/zinc/96/66/27/173966627.db2.gz VYXNRIGYPRMEIA-YPMHNXCESA-N 1 0 280.368 3.170 10 5 CGBERO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000044563048 175206989 /nfs/dbraw/zinc/20/69/89/175206989.db2.gz IMJVGLZIUWZYCD-NSHDSACASA-N 1 0 283.759 3.144 10 5 CGBERO CC1CC[NH+]([C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000725270615 544115264 /nfs/dbraw/zinc/11/52/64/544115264.db2.gz BXDMROUETBPIOR-AWEZNQCLSA-N 1 0 260.337 3.314 10 5 CGBERO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000339076186 278337175 /nfs/dbraw/zinc/33/71/75/278337175.db2.gz WFHCGXCSDVVQHC-IJLUTSLNSA-N 1 0 278.352 3.201 10 5 CGBERO [NH3+][C@@H]1CCCc2nc(-c3ccccc3[N+](=O)[O-])sc21 ZINC000050329932 527361213 /nfs/dbraw/zinc/36/12/13/527361213.db2.gz CBKXNUWEZKJSQF-SECBINFHSA-N 1 0 275.333 3.054 10 5 CGBERO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000593233513 347055381 /nfs/dbraw/zinc/05/53/81/347055381.db2.gz UVOKPTOOACIGOR-UHFFFAOYSA-N 1 0 283.759 3.050 10 5 CGBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000320208999 346488712 /nfs/dbraw/zinc/48/87/12/346488712.db2.gz FKAMQSIONVNDQL-JGVFFNPUSA-N 1 0 291.273 3.151 10 5 CGBERO Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])o1 ZINC000182577712 189328467 /nfs/dbraw/zinc/32/84/67/189328467.db2.gz YAQPMAHMLOHJFZ-GFCCVEGCSA-N 1 0 290.319 3.226 10 5 CGBERO [NH3+]CCCc1cc2cc[nH]c(=O)c2c2cc(Cl)ccc12 ZINC000028955806 368890579 /nfs/dbraw/zinc/89/05/79/368890579.db2.gz SFDHZYBETWFLFF-UHFFFAOYSA-N 1 0 286.762 3.226 10 5 CGBERO C[C@H](CC[NH3+])Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310108516 374208260 /nfs/dbraw/zinc/20/82/60/374208260.db2.gz DPHUWNDGBHYNMA-ZCFIWIBFSA-N 1 0 278.139 3.051 10 5 CGBERO NC(=[NH2+])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035286565 172104620 /nfs/dbraw/zinc/10/46/20/172104620.db2.gz DRCQZWZDAHCOEZ-UHFFFAOYSA-N 1 0 273.317 3.030 10 5 CGBERO CCCC[C@@H](C[NH3+])Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130602491 287359318 /nfs/dbraw/zinc/35/93/18/287359318.db2.gz KHSANIPVACPQIW-NSHDSACASA-N 1 0 288.351 3.072 10 5 CGBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CC ZINC000050813063 520328248 /nfs/dbraw/zinc/32/82/48/520328248.db2.gz DAVCOFUJDXDKKB-LLVKDONJSA-N 1 0 265.357 3.257 10 5 CGBERO CC[C@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000050444465 522303387 /nfs/dbraw/zinc/30/33/87/522303387.db2.gz PQIZAIJTEQZDJE-RKDXNWHRSA-N 1 0 256.733 3.164 10 5 CGBERO C[NH2+][C@H](C)c1ccc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000052924649 522445602 /nfs/dbraw/zinc/44/56/02/522445602.db2.gz MOXILAYKXDDDEK-SNVBAGLBSA-N 1 0 260.293 3.444 10 5 CGBERO C[C@@H]([NH3+])Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000062771014 525000350 /nfs/dbraw/zinc/00/03/50/525000350.db2.gz HUDRAWFFDLITAR-MRVPVSSYSA-N 1 0 280.711 3.398 10 5 CGBERO [NH3+]Cc1c(C(F)(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000514264498 346636242 /nfs/dbraw/zinc/63/62/42/346636242.db2.gz KUZPYLFEXKDXKO-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC[NH2+][C@H](C)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000104421896 185995946 /nfs/dbraw/zinc/99/59/46/185995946.db2.gz NRORIISNXSZMDA-SECBINFHSA-N 1 0 256.733 3.179 10 5 CGBERO CC[C@@H](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)[NH2+]C ZINC000104438670 186002644 /nfs/dbraw/zinc/00/26/44/186002644.db2.gz PWPHVCJPFWMNHU-ZJUUUORDSA-N 1 0 270.760 3.425 10 5 CGBERO CC[C@H]([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234027592 393026926 /nfs/dbraw/zinc/02/69/26/393026926.db2.gz RKHYOLYUSVGJHD-LURJTMIESA-N 1 0 278.139 3.051 10 5 CGBERO CCCn1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000091012772 165249791 /nfs/dbraw/zinc/24/97/91/165249791.db2.gz FVJNXWVPVPPTCD-UHFFFAOYSA-N 1 0 287.363 3.139 10 5 CGBERO C[C@H](CNc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000038029301 174019627 /nfs/dbraw/zinc/01/96/27/174019627.db2.gz CBYNCWKSYXORKX-LLVKDONJSA-N 1 0 281.331 3.020 10 5 CGBERO C[C@H]([NH3+])c1ccccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080397 174089892 /nfs/dbraw/zinc/08/98/92/174089892.db2.gz DSDVGYOFOLOZME-JTQLQIEISA-N 1 0 258.277 3.407 10 5 CGBERO [NH3+]Cc1c(Cl)cccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080311 174090015 /nfs/dbraw/zinc/09/00/15/174090015.db2.gz PLMMJPKJVDOPPI-UHFFFAOYSA-N 1 0 278.695 3.499 10 5 CGBERO C[NH2+]Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000038080663 174090595 /nfs/dbraw/zinc/09/05/95/174090595.db2.gz VTBGYVDATLTDQK-UHFFFAOYSA-N 1 0 258.277 3.107 10 5 CGBERO Cc1cc(Oc2ccccc2C[NH3+])ccc1[N+](=O)[O-] ZINC000038080982 174090659 /nfs/dbraw/zinc/09/06/59/174090659.db2.gz IZGWZRQIFFHRIH-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO CCC[C@@H]([NH3+])CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444338 520726308 /nfs/dbraw/zinc/72/63/08/520726308.db2.gz KRPPHEGITQANOT-LLVKDONJSA-N 1 0 256.733 3.308 10 5 CGBERO C[C@@H]1CC[C@H]([NH3+])[C@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726947 524685660 /nfs/dbraw/zinc/68/56/60/524685660.db2.gz KVCCLEFSLXTTKN-BNOWGMLFSA-N 1 0 262.353 3.291 10 5 CGBERO O=[N+]([O-])c1ccc(OCCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000052765166 527371326 /nfs/dbraw/zinc/37/13/26/527371326.db2.gz SPCKSFRHQZMHLU-JTQLQIEISA-N 1 0 284.743 3.159 10 5 CGBERO CS[C@H](C)C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128102923 187351464 /nfs/dbraw/zinc/35/14/64/187351464.db2.gz GPRBNVZTYXHDBA-MRVPVSSYSA-N 1 0 274.773 3.089 10 5 CGBERO O=[N+]([O-])c1cc([C@@H]2CCCC[NH2+]2)ccc1Br ZINC000309242941 346468439 /nfs/dbraw/zinc/46/84/39/346468439.db2.gz MHHOQFYIWKZATP-JTQLQIEISA-N 1 0 285.141 3.172 10 5 CGBERO C[C@H](CCCC[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000311055106 138583036 /nfs/dbraw/zinc/58/30/36/138583036.db2.gz XXGWKCHTWMAJSG-SECBINFHSA-N 1 0 271.748 3.178 10 5 CGBERO Cc1cccc(NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000236007652 376657527 /nfs/dbraw/zinc/65/75/27/376657527.db2.gz RGOZIRSEMZRNNZ-UHFFFAOYSA-N 1 0 283.331 3.119 10 5 CGBERO CC[C@H]([NH2+][C@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720466 392711973 /nfs/dbraw/zinc/71/19/73/392711973.db2.gz ACFOKKVAIVTZHP-BMIGLBTASA-N 1 0 288.351 3.428 10 5 CGBERO Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCC[NH3+] ZINC000006391130 170197714 /nfs/dbraw/zinc/19/77/14/170197714.db2.gz PZHHYVMSDONGTA-UHFFFAOYSA-N 1 0 290.370 3.395 10 5 CGBERO C[NH2+][C@@H](CCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000037948971 173889527 /nfs/dbraw/zinc/88/95/27/173889527.db2.gz DCQILXORYGCIRJ-ZDUSSCGKSA-N 1 0 250.342 3.080 10 5 CGBERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000038004720 173966424 /nfs/dbraw/zinc/96/64/24/173966424.db2.gz IHHYZAQPPCDZRW-YPMHNXCESA-N 1 0 250.342 3.162 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1Oc1ccccc1C[NH3+] ZINC000038081824 174090676 /nfs/dbraw/zinc/09/06/76/174090676.db2.gz WGYSYTKKVJKNCX-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO Cc1ccc([N+](=O)[O-])c(Oc2ccc(C[NH3+])cc2)c1 ZINC000038080836 174090701 /nfs/dbraw/zinc/09/07/01/174090701.db2.gz XWADLILIWRKXLG-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037166598 270028689 /nfs/dbraw/zinc/02/86/89/270028689.db2.gz XSVJXAZJDLJTRE-ZFWWWQNUSA-N 1 0 293.411 3.222 10 5 CGBERO CC[NH2+]CC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000123122179 276264362 /nfs/dbraw/zinc/26/43/62/276264362.db2.gz CKURVDQPQZCEGP-UHFFFAOYSA-N 1 0 297.786 3.074 10 5 CGBERO CC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1[N+](=O)[O-] ZINC000062726910 520215347 /nfs/dbraw/zinc/21/53/47/520215347.db2.gz ZKVYBYNAEYNPHO-JSGCOSHPSA-N 1 0 262.353 3.306 10 5 CGBERO C[NH2+][C@@H](C)[C@H](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000061686648 522328590 /nfs/dbraw/zinc/32/85/90/522328590.db2.gz XXJVFXXHDPBEKV-GXTWGEPZSA-N 1 0 264.369 3.326 10 5 CGBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCC(C)C)c1 ZINC000050516927 520001577 /nfs/dbraw/zinc/00/15/77/520001577.db2.gz MSOXKUGYGOUNKN-UHFFFAOYSA-N 1 0 266.341 3.129 10 5 CGBERO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C ZINC000050791695 520331083 /nfs/dbraw/zinc/33/10/83/520331083.db2.gz OEXDGUFPKIMGNP-LLVKDONJSA-N 1 0 263.341 3.011 10 5 CGBERO CC[NH+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1C ZINC000053734765 520723327 /nfs/dbraw/zinc/72/33/27/520723327.db2.gz OKACKWNSTREYHP-GFCCVEGCSA-N 1 0 265.357 3.045 10 5 CGBERO Cc1cc(C[NH3+])ccc1Oc1ccccc1[N+](=O)[O-] ZINC000050562617 524671601 /nfs/dbraw/zinc/67/16/01/524671601.db2.gz ZKGHLSKEROJQDD-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO O=[N+]([O-])c1ccc(Cl)cc1NCC[C@@H]1CCC[NH2+]C1 ZINC000125203094 187174423 /nfs/dbraw/zinc/17/44/23/187174423.db2.gz WZLDNXMXOYCKFZ-JTQLQIEISA-N 1 0 283.759 3.050 10 5 CGBERO [NH3+]Cc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000514264483 346636358 /nfs/dbraw/zinc/63/63/58/346636358.db2.gz BRASSBRAOJAJRJ-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC[C@@H]([NH2+][C@H]1CO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000594933705 347233147 /nfs/dbraw/zinc/23/31/47/347233147.db2.gz AVFLVQWQMJMSAA-BPLDGKMQSA-N 1 0 278.352 3.203 10 5 CGBERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249613362 377519049 /nfs/dbraw/zinc/51/90/49/377519049.db2.gz JQOXUALRJHXKDF-UKRRQHHQSA-N 1 0 291.395 3.038 10 5 CGBERO CC[N+](C)(CC)CCSc1ccc(NC(C)=O)cc1 ZINC000001852181 169760118 /nfs/dbraw/zinc/76/01/18/169760118.db2.gz UTLYHTAGWAIBFV-UHFFFAOYSA-O 1 0 281.445 3.224 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1Oc1ccc(C[NH3+])cc1 ZINC000038081823 174090726 /nfs/dbraw/zinc/09/07/26/174090726.db2.gz FGGUZROGXAFNRV-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO C[NH+](C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000302849391 276866825 /nfs/dbraw/zinc/86/68/25/276866825.db2.gz ICJKRDUJFWPBRO-CYBMUJFWSA-N 1 0 293.298 3.042 10 5 CGBERO CC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471346 518758832 /nfs/dbraw/zinc/75/88/32/518758832.db2.gz TWCGLQWDVHHHNK-UHFFFAOYSA-N 1 0 272.732 3.015 10 5 CGBERO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000049130414 522648514 /nfs/dbraw/zinc/64/85/14/522648514.db2.gz UHBWKDMEUXZXHR-LBPRGKRZSA-N 1 0 266.341 3.128 10 5 CGBERO CCC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217626703 346291184 /nfs/dbraw/zinc/29/11/84/346291184.db2.gz IEPKEOMLDRGPEI-IMJJTQAJSA-N 1 0 292.379 3.329 10 5 CGBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000320333051 346488745 /nfs/dbraw/zinc/48/87/45/346488745.db2.gz MJGYOQBGYKZRKA-JGVFFNPUSA-N 1 0 291.273 3.151 10 5 CGBERO CC(C)[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000149022277 187920360 /nfs/dbraw/zinc/92/03/60/187920360.db2.gz HOFWWMJVYDGZEP-UHFFFAOYSA-N 1 0 281.331 3.019 10 5 CGBERO CC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000168132904 372606799 /nfs/dbraw/zinc/60/67/99/372606799.db2.gz OWAHJEDCOVTOBE-UHFFFAOYSA-N 1 0 254.717 3.136 10 5 CGBERO CC(C)[C@H]([NH3+])CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000070447978 165061959 /nfs/dbraw/zinc/06/19/59/165061959.db2.gz JNUIKHICKLWRAO-SECBINFHSA-N 1 0 291.273 3.009 10 5 CGBERO CC[NH2+]CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000038043430 174050132 /nfs/dbraw/zinc/05/01/32/174050132.db2.gz RQQBJCGNEVQVLS-UHFFFAOYSA-N 1 0 291.273 3.025 10 5 CGBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2ccc(Cl)s2)c1 ZINC000050516406 527257687 /nfs/dbraw/zinc/25/76/87/527257687.db2.gz IVVSQGPPFJHUJH-UHFFFAOYSA-N 1 0 298.751 3.347 10 5 CGBERO Cc1ncsc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926213 527517572 /nfs/dbraw/zinc/51/75/72/527517572.db2.gz RHTRBMKIACULBS-VIFPVBQESA-N 1 0 277.349 3.211 10 5 CGBERO C[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000038028204 296127403 /nfs/dbraw/zinc/12/74/03/296127403.db2.gz QAFFDUCADFYPLI-ZIAGYGMSSA-N 1 0 291.395 3.120 10 5 CGBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000070463603 165062362 /nfs/dbraw/zinc/06/23/62/165062362.db2.gz GCQRPHNSAVXORW-JTQLQIEISA-N 1 0 291.273 3.009 10 5 CGBERO C=COCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020197771 171062115 /nfs/dbraw/zinc/06/21/15/171062115.db2.gz FRDJLOJODXPXBY-LBPRGKRZSA-N 1 0 264.325 3.104 10 5 CGBERO O=[N+]([O-])c1ccc(F)cc1C[NH2+]Cc1ccccc1 ZINC000035307974 172121201 /nfs/dbraw/zinc/12/12/01/172121201.db2.gz YCTYBBXOOKVXNQ-UHFFFAOYSA-N 1 0 260.268 3.024 10 5 CGBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC1CCCCC1 ZINC000035414631 172188291 /nfs/dbraw/zinc/18/82/91/172188291.db2.gz XSZSYMNLIQARAP-UHFFFAOYSA-N 1 0 264.325 3.026 10 5 CGBERO [NH3+]Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000038081116 174090614 /nfs/dbraw/zinc/09/06/14/174090614.db2.gz SKQFWWJJYUPORA-UHFFFAOYSA-N 1 0 278.695 3.499 10 5 CGBERO CCC[NH2+][C@@H](C)CCCc1ccccc1[N+](=O)[O-] ZINC000062726845 519984265 /nfs/dbraw/zinc/98/42/65/519984265.db2.gz HSAWJSHEUUGDRS-LBPRGKRZSA-N 1 0 250.342 3.306 10 5 CGBERO CC(C)C[NH2+]Cc1ccc(OC(C)C)c([N+](=O)[O-])c1 ZINC000062730652 519747300 /nfs/dbraw/zinc/74/73/00/519747300.db2.gz RJYZHUSLPIUNCY-UHFFFAOYSA-N 1 0 266.341 3.128 10 5 CGBERO CCCC[C@H](C[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000150334460 521192284 /nfs/dbraw/zinc/19/22/84/521192284.db2.gz ROWIAPNJILPGID-GFCCVEGCSA-N 1 0 288.351 3.072 10 5 CGBERO C[NH2+][C@@H](C)[C@@H](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000061686647 522329078 /nfs/dbraw/zinc/32/90/78/522329078.db2.gz XXJVFXXHDPBEKV-JSGCOSHPSA-N 1 0 264.369 3.326 10 5 CGBERO C[NH+](C)[C@]1(C)CC=C(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000725256752 570259596 /nfs/dbraw/zinc/25/95/96/570259596.db2.gz NLLNUTZVWJUKKL-OAHLLOKOSA-N 1 0 260.337 3.482 10 5 CGBERO OC[C@H]1CCC[N+]1(c1ccccc1)c1ccccc1 ZINC000006864538 717104375 /nfs/dbraw/zinc/10/43/75/717104375.db2.gz QORHFSWJMCTPCJ-QGZVFWFLSA-N 1 0 254.353 3.480 10 5 CGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246077687 376962280 /nfs/dbraw/zinc/96/22/80/376962280.db2.gz CYMQGKSDNCSLPS-WDEREUQCSA-N 1 0 266.366 3.093 10 5 CGBERO CC[C@H]([NH2+]Cc1cccn1C)c1cccc([N+](=O)[O-])c1 ZINC000090224654 165232219 /nfs/dbraw/zinc/23/22/19/165232219.db2.gz HZNWJHOKMHRNQS-HNNXBMFYSA-N 1 0 273.336 3.174 10 5 CGBERO C[C@H]([NH3+])c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000038080590 174090135 /nfs/dbraw/zinc/09/01/35/174090135.db2.gz BJNDCPHMQXXELQ-JTQLQIEISA-N 1 0 258.277 3.407 10 5 CGBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000160667107 521192171 /nfs/dbraw/zinc/19/21/71/521192171.db2.gz IFTGPKSAAVZBRW-LLVKDONJSA-N 1 0 288.351 3.072 10 5 CGBERO C[NH2+][C@H](CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000050444421 522465771 /nfs/dbraw/zinc/46/57/71/522465771.db2.gz PWDRKMZABHOUGY-GFCCVEGCSA-N 1 0 270.760 3.425 10 5 CGBERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccccc1[N+](=O)[O-] ZINC000610576105 348391341 /nfs/dbraw/zinc/39/13/41/348391341.db2.gz OZMYKBZFGIVFBD-ZIAGYGMSSA-N 1 0 289.379 3.048 10 5 CGBERO C[N+](C)(C)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000001998254 368443984 /nfs/dbraw/zinc/44/39/84/368443984.db2.gz YSQQZRQSZIJQDB-UHFFFAOYSA-N 1 0 256.325 3.103 10 5 CGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000252842335 189984187 /nfs/dbraw/zinc/98/41/87/189984187.db2.gz AWLBXYGLXBNHNU-JGGQBBKZSA-N 1 0 292.379 3.247 10 5 CGBERO CCC[n+]1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 ZINC000226777711 376372768 /nfs/dbraw/zinc/37/27/68/376372768.db2.gz XVXCZCJKDWMAHS-UHFFFAOYSA-N 1 0 284.295 3.101 10 5 CGBERO [NH3+]Cc1cc(C(F)(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575379232 377889889 /nfs/dbraw/zinc/88/98/89/377889889.db2.gz AGTNDNPQXIJCPU-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1[N+](=O)[O-] ZINC000038004845 173966615 /nfs/dbraw/zinc/96/66/15/173966615.db2.gz VABYWUZRAFTEAQ-NWDGAFQWSA-N 1 0 250.342 3.162 10 5 CGBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000038043393 174049905 /nfs/dbraw/zinc/04/99/05/174049905.db2.gz KVONZVAHOBPTHC-UHFFFAOYSA-N 1 0 291.273 3.025 10 5 CGBERO CC(C)[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061012769 175641732 /nfs/dbraw/zinc/64/17/32/175641732.db2.gz NSAKDMZGMPZZMX-SECBINFHSA-N 1 0 256.733 3.382 10 5 CGBERO CC[C@@H](C)[N@H+](CC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050813122 522084644 /nfs/dbraw/zinc/08/46/44/522084644.db2.gz UDDDHEUYADZZDY-LLVKDONJSA-N 1 0 265.357 3.257 10 5 CGBERO CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000062731990 518764101 /nfs/dbraw/zinc/76/41/01/518764101.db2.gz DGNVAUHFKWZVEE-UHFFFAOYSA-N 1 0 274.267 3.084 10 5 CGBERO Cc1cc(-c2ccc(C[C@@H](C)[NH3+])o2)ccc1[N+](=O)[O-] ZINC000062771033 526042292 /nfs/dbraw/zinc/04/22/92/526042292.db2.gz LREOHWXQRRHKIB-SNVBAGLBSA-N 1 0 260.293 3.053 10 5 CGBERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000050370122 618097886 /nfs/dbraw/zinc/09/78/86/618097886.db2.gz MLHKTBHXTHEWNZ-ZNMIVQPWSA-N 1 0 278.352 3.203 10 5 CGBERO CNc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000050792296 522610196 /nfs/dbraw/zinc/61/01/96/522610196.db2.gz JGBLAAICDQKDAV-LLVKDONJSA-N 1 0 263.341 3.011 10 5 CGBERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311032187 374231663 /nfs/dbraw/zinc/23/16/63/374231663.db2.gz FDJSCEGWPJBSID-NOZJJQNGSA-N 1 0 252.289 3.012 10 5 CGBERO CC(C)(C)[C@@H]([NH3+])CCCc1ccc([N+](=O)[O-])cc1 ZINC000035677929 172348502 /nfs/dbraw/zinc/34/85/02/172348502.db2.gz STVXBOYHRRKBJS-ZDUSSCGKSA-N 1 0 250.342 3.291 10 5 CGBERO CC[NH2+][C@@H](C)[C@@H](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000037949531 173890053 /nfs/dbraw/zinc/89/00/53/173890053.db2.gz VJVMGGHVBORFPQ-RYUDHWBXSA-N 1 0 250.342 3.162 10 5 CGBERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1[N+](=O)[O-] ZINC000038004844 173966458 /nfs/dbraw/zinc/96/64/58/173966458.db2.gz VABYWUZRAFTEAQ-RYUDHWBXSA-N 1 0 250.342 3.162 10 5 CGBERO CC[C@H](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)[NH2+]C ZINC000038004497 173966623 /nfs/dbraw/zinc/96/66/23/173966623.db2.gz CGVCABUVIQREEQ-NWDGAFQWSA-N 1 0 250.342 3.080 10 5 CGBERO [NH3+]Cc1c(Cl)cccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080686 174090597 /nfs/dbraw/zinc/09/05/97/174090597.db2.gz XWFVBMXZPJOTIV-UHFFFAOYSA-N 1 0 278.695 3.499 10 5 CGBERO CC[C@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000050444469 522304537 /nfs/dbraw/zinc/30/45/37/522304537.db2.gz PQIZAIJTEQZDJE-DTWKUNHWSA-N 1 0 256.733 3.164 10 5 CGBERO CC[C@H](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH2+]C ZINC000104438677 186001981 /nfs/dbraw/zinc/00/19/81/186001981.db2.gz PWPHVCJPFWMNHU-VHSXEESVSA-N 1 0 270.760 3.425 10 5 CGBERO CCC[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052120489 369464868 /nfs/dbraw/zinc/46/48/68/369464868.db2.gz LTYUKONDSKYNCU-UHFFFAOYSA-N 1 0 281.331 3.020 10 5 CGBERO Cc1c(Oc2ccccc2C[NH3+])cccc1[N+](=O)[O-] ZINC000038081659 174090709 /nfs/dbraw/zinc/09/07/09/174090709.db2.gz RBCPIWIQSDXBSN-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO [NH3+][C@@H]1CCCCC[C@H]1CCc1ccc([N+](=O)[O-])cc1 ZINC000043650229 175085487 /nfs/dbraw/zinc/08/54/87/175085487.db2.gz MYOWTIHCTKCSMB-DZGCQCFKSA-N 1 0 262.353 3.435 10 5 CGBERO CC(C)C[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000228722281 416522658 /nfs/dbraw/zinc/52/26/58/416522658.db2.gz WXAQAFFYRIMVGP-UHFFFAOYSA-N 1 0 295.358 3.266 10 5 CGBERO [NH3+][C@H]1C[C@]12CC=C(c1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000725265104 544113880 /nfs/dbraw/zinc/11/38/80/544113880.db2.gz FQSGEYMXZFZRIV-UONOGXRCSA-N 1 0 262.284 3.019 10 5 CGBERO CC[N@@H+]1CCC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124754788 634497654 /nfs/dbraw/zinc/49/76/54/634497654.db2.gz CWKWSZSKCUIRCM-LLVKDONJSA-N 1 0 283.759 3.144 10 5 CGBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000320333053 346488754 /nfs/dbraw/zinc/48/87/54/346488754.db2.gz MJGYOQBGYKZRKA-YUMQZZPRSA-N 1 0 291.273 3.151 10 5 CGBERO CCCC[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302823173 373975097 /nfs/dbraw/zinc/97/50/97/373975097.db2.gz UMISGDBEMNDCTG-UHFFFAOYSA-N 1 0 295.358 3.410 10 5 CGBERO C[NH+](C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000302849392 373984853 /nfs/dbraw/zinc/98/48/53/373984853.db2.gz ICJKRDUJFWPBRO-ZDUSSCGKSA-N 1 0 293.298 3.042 10 5 CGBERO C[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000336787090 375938699 /nfs/dbraw/zinc/93/86/99/375938699.db2.gz DJDZFOWWHWQAFT-SECBINFHSA-N 1 0 271.748 3.178 10 5 CGBERO CC(C)(C)[C@@H]([NH3+])CCc1cc(F)ccc1[N+](=O)[O-] ZINC000035057870 171961029 /nfs/dbraw/zinc/96/10/29/171961029.db2.gz CYWPRHJFJVQCTL-LBPRGKRZSA-N 1 0 254.305 3.040 10 5 CGBERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000037949595 173890037 /nfs/dbraw/zinc/89/00/37/173890037.db2.gz PKRQUWJIPOHELT-RYUDHWBXSA-N 1 0 250.342 3.162 10 5 CGBERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000038004820 173966782 /nfs/dbraw/zinc/96/67/82/173966782.db2.gz VIPQTGTVMNOCLB-RYUDHWBXSA-N 1 0 280.368 3.170 10 5 CGBERO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000038029384 174019291 /nfs/dbraw/zinc/01/92/91/174019291.db2.gz FZWXAQLEVRDSFS-NSHDSACASA-N 1 0 281.331 3.020 10 5 CGBERO C[C@@]1([NH3+])CC=C(c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000725272144 544115376 /nfs/dbraw/zinc/11/53/76/544115376.db2.gz HWRJLGOQJMCRQD-CYBMUJFWSA-N 1 0 250.273 3.019 10 5 CGBERO Cc1cc(NCc2ccc(CC[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000052899331 618738364 /nfs/dbraw/zinc/73/83/64/618738364.db2.gz LFGIIVOJZPKTCF-UHFFFAOYSA-N 1 0 285.347 3.017 10 5 CGBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc(CC[NH3+])cc2)c1 ZINC000094663273 640800551 /nfs/dbraw/zinc/80/05/51/640800551.db2.gz CYRRZVRWUJSCNQ-UHFFFAOYSA-N 1 0 285.347 3.017 10 5 CGBERO C[N+](C)(C)c1cccc(OC(=O)c2ccccc2)c1 ZINC000001998252 717091235 /nfs/dbraw/zinc/09/12/35/717091235.db2.gz WZBCOBVZVYZFNJ-UHFFFAOYSA-N 1 0 256.325 3.103 10 5 CGBERO CCC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037163910 344948242 /nfs/dbraw/zinc/94/82/42/344948242.db2.gz IEPKEOMLDRGPEI-BPUTZDHNSA-N 1 0 292.379 3.329 10 5 CGBERO CNc1ccc([N+](=O)[O-])cc1C1=[NH+]CCc2ccccc21 ZINC000584591883 346686567 /nfs/dbraw/zinc/68/65/67/346686567.db2.gz GWZYHAWFFQKESK-UHFFFAOYSA-N 1 0 281.315 3.030 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000152886114 188050646 /nfs/dbraw/zinc/05/06/46/188050646.db2.gz OKJQBXFBPGWUTD-ZOWXZIJZSA-N 1 0 278.352 3.121 10 5 CGBERO CC[N@@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000301684937 201137622 /nfs/dbraw/zinc/13/76/22/201137622.db2.gz HPXLPTXJNYBNSK-UHFFFAOYSA-N 1 0 298.346 3.111 10 5 CGBERO CC[C@H]([NH2+][C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000161598045 372340570 /nfs/dbraw/zinc/34/05/70/372340570.db2.gz DWRAUIMGUYPBLE-YPMHNXCESA-N 1 0 266.366 3.141 10 5 CGBERO CCC[NH2+]CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020524943 171237883 /nfs/dbraw/zinc/23/78/83/171237883.db2.gz VKJAUSPLMVMDTJ-UHFFFAOYSA-N 1 0 272.732 3.017 10 5 CGBERO Cc1c(CC[C@H]([NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000035649597 172326176 /nfs/dbraw/zinc/32/61/76/172326176.db2.gz VUVIIBGEZASLLW-ZDUSSCGKSA-N 1 0 250.342 3.209 10 5 CGBERO [NH3+]Cc1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000038081496 174090795 /nfs/dbraw/zinc/09/07/95/174090795.db2.gz NVQJJRYWEPTSSP-UHFFFAOYSA-N 1 0 278.695 3.499 10 5 CGBERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C=C/Cl)c1 ZINC000050517168 519727224 /nfs/dbraw/zinc/72/72/24/519727224.db2.gz VOEQFPHJFJPCGY-ZZXKWVIFSA-N 1 0 284.743 3.224 10 5 CGBERO [NH3+]Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C(F)(F)F ZINC000514264583 346636158 /nfs/dbraw/zinc/63/61/58/346636158.db2.gz ZOLWYVOTWJGUTN-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000301781252 201193539 /nfs/dbraw/zinc/19/35/39/201193539.db2.gz RZLKDEQNXPJXGK-CYBMUJFWSA-N 1 0 277.368 3.127 10 5 CGBERO C[C@H]([NH3+])C[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000320304508 374350877 /nfs/dbraw/zinc/35/08/77/374350877.db2.gz JGRFQVFCAUNVNA-BQBZGAKWSA-N 1 0 292.166 3.439 10 5 CGBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245457686 285241794 /nfs/dbraw/zinc/24/17/94/285241794.db2.gz CGBGPOCXQCCBLX-CZUORRHYSA-N 1 0 291.395 3.072 10 5 CGBERO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000044563047 175206679 /nfs/dbraw/zinc/20/66/79/175206679.db2.gz IMJVGLZIUWZYCD-LLVKDONJSA-N 1 0 283.759 3.144 10 5 CGBERO CCCC[C@H](C[NH3+])Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130602684 287359378 /nfs/dbraw/zinc/35/93/78/287359378.db2.gz KHSANIPVACPQIW-LLVKDONJSA-N 1 0 288.351 3.072 10 5 CGBERO O=[N+]([O-])c1ccc2sc(S[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092248 275039221 /nfs/dbraw/zinc/03/92/21/275039221.db2.gz FBIMORGNOUWPPG-SECBINFHSA-N 1 0 295.389 3.049 10 5 CGBERO C[NH2+][C@@H](C)[C@@H](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000061686508 522328521 /nfs/dbraw/zinc/32/85/21/522328521.db2.gz OZKLUHYYHGRTIQ-AAEUAGOBSA-N 1 0 250.342 3.017 10 5 CGBERO CC(C)[C@@H](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000061686287 519793094 /nfs/dbraw/zinc/79/30/94/519793094.db2.gz ZYRNZFGESUDFCJ-SMDDNHRTSA-N 1 0 250.342 3.147 10 5 CGBERO C[NH2+][C@H](C)[C@H](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000061686646 522443788 /nfs/dbraw/zinc/44/37/88/522443788.db2.gz XXJVFXXHDPBEKV-TZMCWYRMSA-N 1 0 264.369 3.326 10 5 CGBERO [NH3+]C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000155833060 527228793 /nfs/dbraw/zinc/22/87/93/527228793.db2.gz MKFRRDDGOCQZJK-ZDUSSCGKSA-N 1 0 281.331 3.053 10 5 CGBERO CCCCCC[C@]1(C)OCO/C1=C/C[N+](C)(C)C ZINC000083308179 717135808 /nfs/dbraw/zinc/13/58/08/717135808.db2.gz BEVNKHVHEJCPJB-IPJDOKCGSA-N 1 0 256.410 3.310 10 5 CGBERO CC(C)[C@@H](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000104313420 185963704 /nfs/dbraw/zinc/96/37/04/185963704.db2.gz WKJIHDHKAJADQW-VHSXEESVSA-N 1 0 270.760 3.410 10 5 CGBERO Cc1cc(N[C@H]2C[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484599 376438577 /nfs/dbraw/zinc/43/85/77/376438577.db2.gz UXVGZEVUGTVVJA-SDBXPKJASA-N 1 0 257.293 3.272 10 5 CGBERO CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC1 ZINC000035414793 172189187 /nfs/dbraw/zinc/18/91/87/172189187.db2.gz GKQGWIYAMVJCOE-SNVBAGLBSA-N 1 0 264.325 3.024 10 5 CGBERO CC[NH2+][C@H](C)[C@H](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038004815 173966402 /nfs/dbraw/zinc/96/64/02/173966402.db2.gz MRCRUGSJVPXCNI-GHMZBOCLSA-N 1 0 268.332 3.301 10 5 CGBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000160662502 521191806 /nfs/dbraw/zinc/19/18/06/521191806.db2.gz WAJZHAYWBVKOMR-LLVKDONJSA-N 1 0 288.351 3.072 10 5 CGBERO C[NH2+][C@@H](C)[C@H](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000061686507 522330064 /nfs/dbraw/zinc/33/00/64/522330064.db2.gz OZKLUHYYHGRTIQ-WCQYABFASA-N 1 0 250.342 3.017 10 5 CGBERO CNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050792297 522609823 /nfs/dbraw/zinc/60/98/23/522609823.db2.gz JGBLAAICDQKDAV-NSHDSACASA-N 1 0 263.341 3.011 10 5 CGBERO Cc1cc(-c2ccc(C[C@H](C)[NH3+])o2)ccc1[N+](=O)[O-] ZINC000062771034 526041852 /nfs/dbraw/zinc/04/18/52/526041852.db2.gz LREOHWXQRRHKIB-JTQLQIEISA-N 1 0 260.293 3.053 10 5 CGBERO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000595557173 347318974 /nfs/dbraw/zinc/31/89/74/347318974.db2.gz HYAQCTFBUVBEIG-ZWKOPEQDSA-N 1 0 264.300 3.012 10 5 CGBERO CC[n+]1ccccc1/C=C\c1cccc([N+](=O)[O-])c1 ZINC000108813878 186231156 /nfs/dbraw/zinc/23/11/56/186231156.db2.gz PSPOSUBAKSGDDM-KTKRTIGZSA-N 1 0 255.297 3.073 10 5 CGBERO CC[N@@H+]1CCc2c(cccc2Nc2ncccc2[N+](=O)[O-])C1 ZINC000301690478 201139444 /nfs/dbraw/zinc/13/94/44/201139444.db2.gz JZYAXPPZJOXVGR-UHFFFAOYSA-N 1 0 298.346 3.111 10 5 CGBERO CCC[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301404257 373772030 /nfs/dbraw/zinc/77/20/30/373772030.db2.gz SLMAEGDRDVUIDW-UHFFFAOYSA-N 1 0 297.786 3.170 10 5 CGBERO CC(C)C[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000302824566 373975889 /nfs/dbraw/zinc/97/58/89/373975889.db2.gz XCJLTTUROAWXHN-LBPRGKRZSA-N 1 0 283.347 3.122 10 5 CGBERO C[C@H](CCC[NH3+])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000336838249 376000131 /nfs/dbraw/zinc/00/01/31/376000131.db2.gz MTVXQXIUKFCGBS-MRVPVSSYSA-N 1 0 291.273 3.153 10 5 CGBERO CC[C@H]([NH2+][C@@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720425 392711653 /nfs/dbraw/zinc/71/16/53/392711653.db2.gz ACFOKKVAIVTZHP-BONVTDFDSA-N 1 0 288.351 3.428 10 5 CGBERO [NH3+][C@@H]1C[C@]12CC=C(c1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000725265105 544113957 /nfs/dbraw/zinc/11/39/57/544113957.db2.gz FQSGEYMXZFZRIV-ZIAGYGMSSA-N 1 0 262.284 3.019 10 5 CGBERO Cc1cc(N[C@H]2CCO[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228486619 280632562 /nfs/dbraw/zinc/63/25/62/280632562.db2.gz BVXWKQLFIUGQDL-MFKMUULPSA-N 1 0 287.319 3.041 10 5 CGBERO CCCCCCOc1cc(C[NH2+]C)ccc1[N+](=O)[O-] ZINC000050516831 520102492 /nfs/dbraw/zinc/10/24/92/520102492.db2.gz DQZUYSYTLKLJBH-UHFFFAOYSA-N 1 0 266.341 3.273 10 5 CGBERO Cc1ccsc1[C@H]([NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000038128313 344954729 /nfs/dbraw/zinc/95/47/29/344954729.db2.gz YJLRPEGVBLRJNU-LLVKDONJSA-N 1 0 262.334 3.207 10 5 CGBERO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000090965366 345798837 /nfs/dbraw/zinc/79/88/37/345798837.db2.gz WFHCGXCSDVVQHC-UTUOFQBUSA-N 1 0 278.352 3.201 10 5 CGBERO C[NH+](C)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000584658055 346705925 /nfs/dbraw/zinc/70/59/25/346705925.db2.gz YAELHQDDEIZMFY-UHFFFAOYSA-N 1 0 297.405 3.248 10 5 CGBERO O=[N+]([O-])c1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000037216774 173035714 /nfs/dbraw/zinc/03/57/14/173035714.db2.gz DODCFCVCKZEAMU-UHFFFAOYSA-N 1 0 250.298 3.168 10 5 CGBERO C[NH2+]Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000038080478 174090179 /nfs/dbraw/zinc/09/01/79/174090179.db2.gz XUJFTTRYVJMDAU-UHFFFAOYSA-N 1 0 258.277 3.107 10 5 CGBERO O=[N+]([O-])c1cc(C[NH2+]CCC2CC2)ccc1Cl ZINC000097604879 527329121 /nfs/dbraw/zinc/32/91/21/527329121.db2.gz YXMXHZCBXOBEBX-UHFFFAOYSA-N 1 0 254.717 3.138 10 5 CGBERO C[NH2+][C@H](CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000104068917 185891905 /nfs/dbraw/zinc/89/19/05/185891905.db2.gz DTMBXXRFVAALQB-GFCCVEGCSA-N 1 0 268.744 3.179 10 5 CGBERO CC[NH2+][C@@H](CC)[C@H](C)Cc1cccc([N+](=O)[O-])c1C ZINC000104162159 185914947 /nfs/dbraw/zinc/91/49/47/185914947.db2.gz ZLNDGDWEPVLNNN-RISCZKNCSA-N 1 0 264.369 3.470 10 5 CGBERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000040502591 369158334 /nfs/dbraw/zinc/15/83/34/369158334.db2.gz RUKCEQSBILAEPQ-HOCLYGCPSA-N 1 0 291.395 3.120 10 5 CGBERO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302820781 373973931 /nfs/dbraw/zinc/97/39/31/373973931.db2.gz PXGCFHFYEMHDOU-VXGBXAGGSA-N 1 0 281.331 3.019 10 5 CGBERO CCC[n+]1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000226777720 376373486 /nfs/dbraw/zinc/37/34/86/376373486.db2.gz LMSWONQGYNBQIJ-UHFFFAOYSA-N 1 0 284.295 3.101 10 5 CGBERO Cc1cccc(Oc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC000038081995 174091221 /nfs/dbraw/zinc/09/12/21/174091221.db2.gz JXAYJJSKZBXHBO-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000247073695 281023343 /nfs/dbraw/zinc/02/33/43/281023343.db2.gz OKJQBXFBPGWUTD-SLEUVZQESA-N 1 0 278.352 3.121 10 5 CGBERO CC[C@@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000050444464 522626831 /nfs/dbraw/zinc/62/68/31/522626831.db2.gz PQIZAIJTEQZDJE-BDAKNGLRSA-N 1 0 256.733 3.164 10 5 CGBERO C[NH+](C)[C@]1(C)CC=C(c2ccccc2[N+](=O)[O-])CC1 ZINC000725256692 572378292 /nfs/dbraw/zinc/37/82/92/572378292.db2.gz GDLCEAXVTNQKAK-OAHLLOKOSA-N 1 0 260.337 3.482 10 5 CGBERO CNC(=O)Oc1cc(C)c([N+](C)(C)C)cc1C(C)C ZINC000005765132 717101653 /nfs/dbraw/zinc/10/16/53/717101653.db2.gz RZKVFHAFCBUKMR-UHFFFAOYSA-O 1 0 265.377 3.033 10 5 CGBERO C[NH2+][C@@H](C)[C@H](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104310602 185963163 /nfs/dbraw/zinc/96/31/63/185963163.db2.gz XRISELFDSZRGBM-BDAKNGLRSA-N 1 0 256.733 3.035 10 5 CGBERO CC1(C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000104437734 186002653 /nfs/dbraw/zinc/00/26/53/186002653.db2.gz SYFVFVKRQYWIMV-UHFFFAOYSA-N 1 0 266.316 3.404 10 5 CGBERO CC[N@@H+]1CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352094 369437651 /nfs/dbraw/zinc/43/76/51/369437651.db2.gz GVGQICGNYBIMRK-SNVBAGLBSA-N 1 0 283.759 3.144 10 5 CGBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177695033 373701639 /nfs/dbraw/zinc/70/16/39/373701639.db2.gz CGBGPOCXQCCBLX-BBRMVZONSA-N 1 0 291.395 3.072 10 5 CGBERO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302820780 373973493 /nfs/dbraw/zinc/97/34/93/373973493.db2.gz PXGCFHFYEMHDOU-RYUDHWBXSA-N 1 0 281.331 3.019 10 5 CGBERO C[C@@H](CNc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000038029300 174019457 /nfs/dbraw/zinc/01/94/57/174019457.db2.gz CBYNCWKSYXORKX-NSHDSACASA-N 1 0 281.331 3.020 10 5 CGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040503220 174299800 /nfs/dbraw/zinc/29/98/00/174299800.db2.gz BWBCDHKWBOTITL-SNVBAGLBSA-N 1 0 283.759 3.144 10 5 CGBERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037166529 270028974 /nfs/dbraw/zinc/02/89/74/270028974.db2.gz NYINIRSFTHKJPS-DZGCQCFKSA-N 1 0 293.411 3.222 10 5 CGBERO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CC ZINC000050813064 520328126 /nfs/dbraw/zinc/32/81/26/520328126.db2.gz DAVCOFUJDXDKKB-NSHDSACASA-N 1 0 265.357 3.257 10 5 CGBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000160662365 521049850 /nfs/dbraw/zinc/04/98/50/521049850.db2.gz WAJZHAYWBVKOMR-NSHDSACASA-N 1 0 288.351 3.072 10 5 CGBERO CC[C@H](C)[N@H+](CC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050813123 523934396 /nfs/dbraw/zinc/93/43/96/523934396.db2.gz UDDDHEUYADZZDY-NSHDSACASA-N 1 0 265.357 3.257 10 5 CGBERO [NH3+]Cc1c([N+](=O)[O-])ccc(C(F)(F)F)c1C(F)(F)F ZINC000514264485 346636392 /nfs/dbraw/zinc/63/63/92/346636392.db2.gz CBVVJSAWUZMAFA-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040502540 369157522 /nfs/dbraw/zinc/15/75/22/369157522.db2.gz JQOXUALRJHXKDF-DZGCQCFKSA-N 1 0 291.395 3.038 10 5 CGBERO CCC[C@@H](CCc1cc([N+](=O)[O-])ccc1OC)[NH2+]CC ZINC000038001195 173963999 /nfs/dbraw/zinc/96/39/99/173963999.db2.gz VSSKKDCHDVUKKB-ZDUSSCGKSA-N 1 0 280.368 3.314 10 5 CGBERO C[C@@H](CNc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000038042150 174044729 /nfs/dbraw/zinc/04/47/29/174044729.db2.gz CZZSQPCWGCBUGW-LBPRGKRZSA-N 1 0 295.358 3.268 10 5 CGBERO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000038081495 174090525 /nfs/dbraw/zinc/09/05/25/174090525.db2.gz KELJNCPAUXDOKH-UHFFFAOYSA-N 1 0 278.695 3.499 10 5 CGBERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037166599 270028869 /nfs/dbraw/zinc/02/88/69/270028869.db2.gz XSVJXAZJDLJTRE-DZGCQCFKSA-N 1 0 293.411 3.222 10 5 CGBERO CC[NH2+][C@@H](CC)CCCc1ccccc1[N+](=O)[O-] ZINC000062726861 520081823 /nfs/dbraw/zinc/08/18/23/520081823.db2.gz HIGHPRXEABRKNC-ZDUSSCGKSA-N 1 0 250.342 3.306 10 5 CGBERO CCC[C@H]([NH3+])CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444336 521121118 /nfs/dbraw/zinc/12/11/18/521121118.db2.gz KRPPHEGITQANOT-NSHDSACASA-N 1 0 256.733 3.308 10 5 CGBERO C[NH2+][C@H](C)[C@@H](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000061686506 522444221 /nfs/dbraw/zinc/44/42/21/522444221.db2.gz OZKLUHYYHGRTIQ-YPMHNXCESA-N 1 0 250.342 3.017 10 5 CGBERO C[NH2+][C@H](C)[C@H](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000061686505 522445303 /nfs/dbraw/zinc/44/53/03/522445303.db2.gz OZKLUHYYHGRTIQ-DGCLKSJQSA-N 1 0 250.342 3.017 10 5 CGBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000050814097 522644921 /nfs/dbraw/zinc/64/49/21/522644921.db2.gz DYMLMCLFEXTLET-NSHDSACASA-N 1 0 265.357 3.113 10 5 CGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000592181585 346969369 /nfs/dbraw/zinc/96/93/69/346969369.db2.gz NFHLTIDZQQAUFZ-MRCXROJRSA-N 1 0 264.300 3.012 10 5 CGBERO O=[N+]([O-])c1cc(Cl)ccc1NCCC1CC[NH2+]CC1 ZINC000593233499 347054975 /nfs/dbraw/zinc/05/49/75/347054975.db2.gz TULALXXCUBEXTB-UHFFFAOYSA-N 1 0 283.759 3.050 10 5 CGBERO Cc1cn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000202228080 346280618 /nfs/dbraw/zinc/28/06/18/346280618.db2.gz AVXYEKFLGARSMO-UHFFFAOYSA-N 1 0 271.198 3.108 10 5 CGBERO Cc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829650 138349050 /nfs/dbraw/zinc/34/90/50/138349050.db2.gz AOWXXGJGLASQPA-UHFFFAOYSA-N 1 0 283.331 3.119 10 5 CGBERO CC[C@@H]([NH2+][C@@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000178316674 189106514 /nfs/dbraw/zinc/10/65/14/189106514.db2.gz PPDVBOIJXIINRR-SWLSCSKDSA-N 1 0 280.368 3.451 10 5 CGBERO Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])o1 ZINC000182577726 189328225 /nfs/dbraw/zinc/32/82/25/189328225.db2.gz YAQPMAHMLOHJFZ-LBPRGKRZSA-N 1 0 290.319 3.226 10 5 CGBERO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302820778 373973457 /nfs/dbraw/zinc/97/34/57/373973457.db2.gz PXGCFHFYEMHDOU-NEPJUHHUSA-N 1 0 281.331 3.019 10 5 CGBERO N#[N+]c1cc(Cl)c(Br)cc1[N+](=O)[O-] ZINC000307000914 374141709 /nfs/dbraw/zinc/14/17/09/374141709.db2.gz DPGSGXWRFXFWBZ-UHFFFAOYSA-N 1 0 263.458 3.495 10 5 CGBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029392 174019879 /nfs/dbraw/zinc/01/98/79/174019879.db2.gz MIOJTAWQAKDYKE-CYBMUJFWSA-N 1 0 277.368 3.190 10 5 CGBERO CC[C@H]([NH2+][C@@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000178316661 189107151 /nfs/dbraw/zinc/10/71/51/189107151.db2.gz PPDVBOIJXIINRR-WFASDCNBSA-N 1 0 280.368 3.451 10 5 CGBERO [NH3+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000038081115 174090745 /nfs/dbraw/zinc/09/07/45/174090745.db2.gz RARZJRDSFDNJMG-UHFFFAOYSA-N 1 0 278.695 3.499 10 5 CGBERO C[NH2+][C@@H](C)c1ccc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000052924650 522329287 /nfs/dbraw/zinc/32/92/87/522329287.db2.gz MOXILAYKXDDDEK-JTQLQIEISA-N 1 0 260.293 3.444 10 5 CGBERO C[C@@H](CCCC[NH3+])Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000310848455 618873896 /nfs/dbraw/zinc/87/38/96/618873896.db2.gz IRIXQFIWZCNROU-VIFPVBQESA-N 1 0 271.748 3.178 10 5 CGBERO C[C@H](C[NH+]1CCCCC1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120389 369464642 /nfs/dbraw/zinc/46/46/42/369464642.db2.gz AWEVGCILZBNWMG-LLVKDONJSA-N 1 0 281.331 3.020 10 5 CGBERO [NH3+]Cc1cc([N+](=O)[O-])c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575379382 377891521 /nfs/dbraw/zinc/89/15/21/377891521.db2.gz INDSCOOVWQJZIO-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459711 287065699 /nfs/dbraw/zinc/06/56/99/287065699.db2.gz IPLQPNUYBFOYMV-TZMCWYRMSA-N 1 0 262.353 3.306 10 5 CGBERO Cc1ccc([N+](=O)[O-])c(Oc2ccccc2C[NH3+])c1 ZINC000038080837 174090437 /nfs/dbraw/zinc/09/04/37/174090437.db2.gz QOUMGCCHYLLHGJ-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037166601 270028900 /nfs/dbraw/zinc/02/89/00/270028900.db2.gz XSVJXAZJDLJTRE-UKRRQHHQSA-N 1 0 293.411 3.222 10 5 CGBERO CC(C)[C@H](CCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000062726980 519813993 /nfs/dbraw/zinc/81/39/93/519813993.db2.gz ONJHHHJXAWYUIH-YPMHNXCESA-N 1 0 250.342 3.147 10 5 CGBERO CC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1[N+](=O)[O-] ZINC000062726907 520118608 /nfs/dbraw/zinc/11/86/08/520118608.db2.gz ZKVYBYNAEYNPHO-TZMCWYRMSA-N 1 0 262.353 3.306 10 5 CGBERO CCC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037163905 344948297 /nfs/dbraw/zinc/94/82/97/344948297.db2.gz IEPKEOMLDRGPEI-KBMXLJTQSA-N 1 0 292.379 3.329 10 5 CGBERO [NH3+]Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514264527 346636172 /nfs/dbraw/zinc/63/61/72/346636172.db2.gz GMWGKKVICJXRRG-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC[N+](CC)(CC)C(C(F)(F)F)C(F)(F)F ZINC000098210540 370269324 /nfs/dbraw/zinc/26/93/24/370269324.db2.gz YKEXSMWWMWNRHJ-UHFFFAOYSA-N 1 0 252.222 3.356 10 5 CGBERO CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000134245193 371314421 /nfs/dbraw/zinc/31/44/21/371314421.db2.gz CDSOYXZITSPIFW-DFBGVHRSSA-N 1 0 278.352 3.203 10 5 CGBERO C[C@H](CCCC[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000310809846 374225622 /nfs/dbraw/zinc/22/56/22/374225622.db2.gz BWHMRXUXXRBAIQ-SECBINFHSA-N 1 0 271.748 3.178 10 5 CGBERO CCCCCCOc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000035414517 172188651 /nfs/dbraw/zinc/18/86/51/172188651.db2.gz APKOVRUUOHDKIX-UHFFFAOYSA-N 1 0 252.314 3.013 10 5 CGBERO CC[C@H]1CCC[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050791621 523108650 /nfs/dbraw/zinc/10/86/50/523108650.db2.gz PGGJMODLDKUKIA-LBPRGKRZSA-N 1 0 263.341 3.011 10 5 CGBERO C[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1N)C(C)(C)C ZINC000050814901 524982960 /nfs/dbraw/zinc/98/29/60/524982960.db2.gz YVUJBQNTWWVSEE-SNVBAGLBSA-N 1 0 265.357 3.043 10 5 CGBERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000040502589 369158406 /nfs/dbraw/zinc/15/84/06/369158406.db2.gz RUKCEQSBILAEPQ-ZBFHGGJFSA-N 1 0 291.395 3.120 10 5 CGBERO O=[N+]([O-])c1ccc2nc(C[NH+]3CCCCC3)ccc2c1 ZINC000090367517 370060530 /nfs/dbraw/zinc/06/05/30/370060530.db2.gz UEPWMGSYZCLGTA-UHFFFAOYSA-N 1 0 271.320 3.129 10 5 CGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246974361 377129698 /nfs/dbraw/zinc/12/96/98/377129698.db2.gz XXNVYSGBWSXXCU-IVMMDQJWSA-N 1 0 290.363 3.157 10 5 CGBERO [NH3+][C@H](CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000036683861 172654141 /nfs/dbraw/zinc/65/41/41/172654141.db2.gz RLISSYBZMZJPOA-CQSZACIVSA-N 1 0 256.305 3.227 10 5 CGBERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1[N+](=O)[O-] ZINC000038004843 173966635 /nfs/dbraw/zinc/96/66/35/173966635.db2.gz VABYWUZRAFTEAQ-VXGBXAGGSA-N 1 0 250.342 3.162 10 5 CGBERO C[C@@H]([NH3+])c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080585 174089909 /nfs/dbraw/zinc/08/99/09/174089909.db2.gz UYQWXCQDGKXXIO-SNVBAGLBSA-N 1 0 258.277 3.407 10 5 CGBERO C[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000044368443 175168209 /nfs/dbraw/zinc/16/82/09/175168209.db2.gz INUNCXQPSXDAGL-JTQLQIEISA-N 1 0 283.759 3.144 10 5 CGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC=CCC2)ccc1Cl ZINC000076771352 177087023 /nfs/dbraw/zinc/08/70/23/177087023.db2.gz GILMMOKQWWKBCC-LLVKDONJSA-N 1 0 266.728 3.447 10 5 CGBERO CSC[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000076769469 177087042 /nfs/dbraw/zinc/08/70/42/177087042.db2.gz KOOXDKLYABVQLP-QMMMGPOBSA-N 1 0 274.773 3.089 10 5 CGBERO [NH3+][C@H]1C[C@@]12CC=C(c1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000725265102 544113879 /nfs/dbraw/zinc/11/38/79/544113879.db2.gz FQSGEYMXZFZRIV-KBPBESRZSA-N 1 0 262.284 3.019 10 5 CGBERO C/C=C/COc1cc(C[NH2+]CCC)ccc1[N+](=O)[O-] ZINC000050517085 518517833 /nfs/dbraw/zinc/51/78/33/518517833.db2.gz CDHRAQUEMYYVPC-HWKANZROSA-N 1 0 264.325 3.049 10 5 CGBERO CC(C)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443121 519663162 /nfs/dbraw/zinc/66/31/62/519663162.db2.gz WANVNLSFSLKXOB-UHFFFAOYSA-N 1 0 256.733 3.384 10 5 CGBERO CC(C)Oc1ccc(C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000062730598 519779679 /nfs/dbraw/zinc/77/96/79/519779679.db2.gz DLZAJKGGSCJMLV-UHFFFAOYSA-N 1 0 266.341 3.270 10 5 CGBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@@H](C)CC)c1 ZINC000050517096 519953654 /nfs/dbraw/zinc/95/36/54/519953654.db2.gz PNSJOSNEKNFSPM-NSHDSACASA-N 1 0 266.341 3.272 10 5 CGBERO C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000125194909 187174397 /nfs/dbraw/zinc/17/43/97/187174397.db2.gz RMTBUSJISMIWEB-UWVGGRQHSA-N 1 0 283.759 3.048 10 5 CGBERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccccc1[N+](=O)[O-] ZINC000610576102 348391071 /nfs/dbraw/zinc/39/10/71/348391071.db2.gz OZMYKBZFGIVFBD-KBPBESRZSA-N 1 0 289.379 3.048 10 5 CGBERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccccc1[N+](=O)[O-] ZINC000610576104 348391223 /nfs/dbraw/zinc/39/12/23/348391223.db2.gz OZMYKBZFGIVFBD-UONOGXRCSA-N 1 0 289.379 3.048 10 5 CGBERO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301290551 373731982 /nfs/dbraw/zinc/73/19/82/373731982.db2.gz PZVGNISAFCQHPY-UHFFFAOYSA-N 1 0 297.786 3.170 10 5 CGBERO Cc1ccc([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])o1 ZINC000182584447 392748082 /nfs/dbraw/zinc/74/80/82/392748082.db2.gz XIFOBUHSIMKCCT-SNVBAGLBSA-N 1 0 278.283 3.486 10 5 CGBERO CC(C)[NH2+]CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020524942 171237613 /nfs/dbraw/zinc/23/76/13/171237613.db2.gz XLOOTOSPLAVVCL-UHFFFAOYSA-N 1 0 272.732 3.015 10 5 CGBERO CC[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035509911 172241364 /nfs/dbraw/zinc/24/13/64/172241364.db2.gz WGZHHSYQKDUTFT-GFCCVEGCSA-N 1 0 266.322 3.257 10 5 CGBERO O=[N+]([O-])c1ccc(C[NH2+]C2CCCC2)c(Br)c1 ZINC000037516265 173247661 /nfs/dbraw/zinc/24/76/61/173247661.db2.gz LYGWXUBZMUUMRC-UHFFFAOYSA-N 1 0 299.168 3.390 10 5 CGBERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000038004821 173966651 /nfs/dbraw/zinc/96/66/51/173966651.db2.gz VIPQTGTVMNOCLB-NWDGAFQWSA-N 1 0 280.368 3.170 10 5 CGBERO Cc1cccc(Oc2ccc(C[NH3+])cc2)c1[N+](=O)[O-] ZINC000038081994 174091024 /nfs/dbraw/zinc/09/10/24/174091024.db2.gz UTHVEWCWDODPJP-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(C)C ZINC000050814096 522644223 /nfs/dbraw/zinc/64/42/23/522644223.db2.gz DYMLMCLFEXTLET-LLVKDONJSA-N 1 0 265.357 3.113 10 5 CGBERO C[N+](C)(C)/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001088676025 717196726 /nfs/dbraw/zinc/19/67/26/717196726.db2.gz RAFONLMCMHUKNI-VOTSOKGWSA-O 1 0 274.171 3.152 10 5 CGBERO C[NH2+]CCON=c1c2ccccc2ccc2ccccc21 ZINC000001542913 290670277 /nfs/dbraw/zinc/67/02/77/290670277.db2.gz SEDQWOMFMIJKCU-UHFFFAOYSA-N 1 0 278.355 3.045 10 5 world CGBERO C[C@@H](O)C[N+](C)(C)C(c1ccccc1)c1ccccc1 ZINC000003176033 368494732 /nfs/dbraw/zinc/49/47/32/368494732.db2.gz HWOHJCQSZHMSNZ-OAHLLOKOSA-N 1 0 270.396 3.233 10 5 CGBERO CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164082905 372505940 /nfs/dbraw/zinc/50/59/40/372505940.db2.gz WGVUPARNLPTFAW-KGLIPLIRSA-N 1 0 280.368 3.043 10 5 CGBERO Cc1ccc([C@H](C)NCc2c(F)cccc2[N+](=O)[O-])o1 ZINC000182584467 392748206 /nfs/dbraw/zinc/74/82/06/392748206.db2.gz XIFOBUHSIMKCCT-JTQLQIEISA-N 1 0 278.283 3.486 10 5 CGBERO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000037231418 173050205 /nfs/dbraw/zinc/05/02/05/173050205.db2.gz UPUCBHIZMNDKFS-NSHDSACASA-N 1 0 260.293 3.081 10 5 CGBERO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000038029385 174019278 /nfs/dbraw/zinc/01/92/78/174019278.db2.gz FZWXAQLEVRDSFS-LLVKDONJSA-N 1 0 281.331 3.020 10 5 CGBERO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029296 174019658 /nfs/dbraw/zinc/01/96/58/174019658.db2.gz POQILJFTJCKUSF-NSHDSACASA-N 1 0 281.331 3.020 10 5 CGBERO CC(C)CCC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000038093736 174107514 /nfs/dbraw/zinc/10/75/14/174107514.db2.gz KQQYXZIOQUWNEB-UHFFFAOYSA-N 1 0 272.295 3.399 10 5 CGBERO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000095835406 274723025 /nfs/dbraw/zinc/72/30/25/274723025.db2.gz JFLXMOIFLVXTPG-UHFFFAOYSA-N 1 0 278.352 3.157 10 5 CGBERO C[C@@H]([NH3+])C[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000320304510 321961600 /nfs/dbraw/zinc/96/16/00/321961600.db2.gz JGRFQVFCAUNVNA-RNFRBKRXSA-N 1 0 292.166 3.439 10 5 CGBERO CCCNc1ccc(C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000050792625 520155540 /nfs/dbraw/zinc/15/55/40/520155540.db2.gz UXLHPLYXQMYNQV-UHFFFAOYSA-N 1 0 265.357 3.257 10 5 CGBERO [NH3+]C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000155833177 527206684 /nfs/dbraw/zinc/20/66/84/527206684.db2.gz MKFRRDDGOCQZJK-CYBMUJFWSA-N 1 0 281.331 3.053 10 5 CGBERO CC1(CNc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129441975 636258104 /nfs/dbraw/zinc/25/81/04/636258104.db2.gz WOVNXRPBIKQORV-UHFFFAOYSA-N 1 0 283.759 3.050 10 5 CGBERO c1ccc(C2CCC(C[N+]34CCN(CC3)CC4)CC2)cc1 ZINC000186998164 717157599 /nfs/dbraw/zinc/15/75/99/717157599.db2.gz ZHHIFCIDSMTNDW-UHFFFAOYSA-N 1 0 285.455 3.106 10 5 CGBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000320333050 346488871 /nfs/dbraw/zinc/48/88/71/346488871.db2.gz MJGYOQBGYKZRKA-HTQZYQBOSA-N 1 0 291.273 3.151 10 5 CGBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000097829884 138349220 /nfs/dbraw/zinc/34/92/20/138349220.db2.gz KWPHOBIHAHGCPO-UHFFFAOYSA-N 1 0 283.331 3.119 10 5 CGBERO C[C@@H](CC[NH3+])Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310108515 374209113 /nfs/dbraw/zinc/20/91/13/374209113.db2.gz DPHUWNDGBHYNMA-LURJTMIESA-N 1 0 278.139 3.051 10 5 CGBERO C[C@H](CCC[NH3+])Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310862767 374227675 /nfs/dbraw/zinc/22/76/75/374227675.db2.gz QSPAOVHGIKRTTG-SSDOTTSWSA-N 1 0 292.166 3.441 10 5 CGBERO [NH3+]Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379236 377890405 /nfs/dbraw/zinc/89/04/05/377890405.db2.gz ANJIGBQUVWRGNL-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CCC[NH2+][C@@H](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000038001281 173963849 /nfs/dbraw/zinc/96/38/49/173963849.db2.gz IKMHXVNMJOTABP-NEPJUHHUSA-N 1 0 250.342 3.162 10 5 CGBERO CC[N@@H+]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040503263 174299844 /nfs/dbraw/zinc/29/98/44/174299844.db2.gz DELKUKCZVVSOJA-NSHDSACASA-N 1 0 283.759 3.144 10 5 CGBERO O=[N+]([O-])c1ccc2sc(SC[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092254 275039152 /nfs/dbraw/zinc/03/91/52/275039152.db2.gz NGROHMPNNCCXJZ-MRVPVSSYSA-N 1 0 295.389 3.049 10 5 CGBERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038004814 276270811 /nfs/dbraw/zinc/27/08/11/276270811.db2.gz MRCRUGSJVPXCNI-MNOVXSKESA-N 1 0 268.332 3.301 10 5 CGBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@H](C)CC)c1 ZINC000050517097 519953517 /nfs/dbraw/zinc/95/35/17/519953517.db2.gz PNSJOSNEKNFSPM-LLVKDONJSA-N 1 0 266.341 3.272 10 5 CGBERO CC[NH2+][C@H](CC)CCCc1ccccc1[N+](=O)[O-] ZINC000062726862 520183031 /nfs/dbraw/zinc/18/30/31/520183031.db2.gz HIGHPRXEABRKNC-CYBMUJFWSA-N 1 0 250.342 3.306 10 5 CGBERO C[C@@H]1CC[C@@H]([NH3+])[C@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726949 524601018 /nfs/dbraw/zinc/60/10/18/524601018.db2.gz KVCCLEFSLXTTKN-MRVWCRGKSA-N 1 0 262.353 3.291 10 5 CGBERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040502539 369158316 /nfs/dbraw/zinc/15/83/16/369158316.db2.gz JQOXUALRJHXKDF-ZFWWWQNUSA-N 1 0 291.395 3.038 10 5 CGBERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164082822 372505796 /nfs/dbraw/zinc/50/57/96/372505796.db2.gz WGVUPARNLPTFAW-KBPBESRZSA-N 1 0 280.368 3.043 10 5 CGBERO Cc1cc(Oc2ccc(C[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000038080981 174090628 /nfs/dbraw/zinc/09/06/28/174090628.db2.gz IDGQYDQIDFOIPO-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000042859042 174893125 /nfs/dbraw/zinc/89/31/25/174893125.db2.gz TWDYJNNBJJNYLS-QWRGUYRKSA-N 1 0 252.314 3.104 10 5 CGBERO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C ZINC000050791694 520329994 /nfs/dbraw/zinc/32/99/94/520329994.db2.gz OEXDGUFPKIMGNP-NSHDSACASA-N 1 0 263.341 3.011 10 5 CGBERO CCCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)C ZINC000062732046 520436623 /nfs/dbraw/zinc/43/66/23/520436623.db2.gz YPAVOUMIQCXHOR-UHFFFAOYSA-N 1 0 266.341 3.129 10 5 CGBERO C[N+]1(C2(c3cccs3)CCCCC2)CCOCC1 ZINC000003619848 717096167 /nfs/dbraw/zinc/09/61/67/717096167.db2.gz HDVJHULZGWXKDE-UHFFFAOYSA-N 1 0 266.430 3.384 10 5 CGBERO CCCCCC[C@@]1(C)OCO/C1=C/C[N+](C)(C)C ZINC000083308176 717135909 /nfs/dbraw/zinc/13/59/09/717135909.db2.gz BEVNKHVHEJCPJB-YVGNARHYSA-N 1 0 256.410 3.310 10 5 CGBERO C[C@@H]([NH3+])c1ccc(F)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000098169696 185696886 /nfs/dbraw/zinc/69/68/86/185696886.db2.gz HXQDUISKKIHVRK-SECBINFHSA-N 1 0 260.268 3.421 10 5 CGBERO CC[C@@H](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH2+]C ZINC000104438675 186002651 /nfs/dbraw/zinc/00/26/51/186002651.db2.gz PWPHVCJPFWMNHU-UWVGGRQHSA-N 1 0 270.760 3.425 10 5 CGBERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000133030790 371221462 /nfs/dbraw/zinc/22/14/62/371221462.db2.gz VSQBVUCOZFZMDU-KBPBESRZSA-N 1 0 291.395 3.038 10 5 CGBERO C[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)c(C)c1 ZINC000035456893 172206806 /nfs/dbraw/zinc/20/68/06/172206806.db2.gz AKFLXLSQYJIAFR-CQSZACIVSA-N 1 0 260.293 3.113 10 5 CGBERO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029297 174019227 /nfs/dbraw/zinc/01/92/27/174019227.db2.gz POQILJFTJCKUSF-LLVKDONJSA-N 1 0 281.331 3.020 10 5 CGBERO CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044275 174052140 /nfs/dbraw/zinc/05/21/40/174052140.db2.gz STCUGUPCMCIGCL-IUODEOHRSA-N 1 0 278.352 3.062 10 5 CGBERO [NH3+]Cc1c(Cl)cccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080501 174090104 /nfs/dbraw/zinc/09/01/04/174090104.db2.gz DLQPNNOYHJTMTB-UHFFFAOYSA-N 1 0 278.695 3.499 10 5 CGBERO C[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725271885 544115296 /nfs/dbraw/zinc/11/52/96/544115296.db2.gz VPIARHCEBBKVRO-FZMZJTMJSA-N 1 0 260.337 3.314 10 5 CGBERO C[C@@]1([NH3+])CC=C(c2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000725272215 544115359 /nfs/dbraw/zinc/11/53/59/544115359.db2.gz IOIGKERUARNHFV-CYBMUJFWSA-N 1 0 250.273 3.019 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000245538877 281021427 /nfs/dbraw/zinc/02/14/27/281021427.db2.gz ZGOOQVKMTWNFRF-RYUDHWBXSA-N 1 0 280.393 3.402 10 5 CGBERO CC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1[N+](=O)[O-] ZINC000062726909 520118932 /nfs/dbraw/zinc/11/89/32/520118932.db2.gz ZKVYBYNAEYNPHO-GXTWGEPZSA-N 1 0 262.353 3.306 10 5 CGBERO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000049529443 522877824 /nfs/dbraw/zinc/87/78/24/522877824.db2.gz KIVBCERSOCQKME-SNVBAGLBSA-N 1 0 266.322 3.490 10 5 CGBERO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CC[NH3+])cc1 ZINC000052899309 619674776 /nfs/dbraw/zinc/67/47/76/619674776.db2.gz ZWTHFYMKDFMIIR-UHFFFAOYSA-N 1 0 285.347 3.017 10 5 CGBERO C[C@H](O)C[N+](C)(C)C(c1ccccc1)c1ccccc1 ZINC000003176031 368494915 /nfs/dbraw/zinc/49/49/15/368494915.db2.gz HWOHJCQSZHMSNZ-HNNXBMFYSA-N 1 0 270.396 3.233 10 5 CGBERO [NH3+][C@@H]1CCCCC[C@@H]1CCc1ccc([N+](=O)[O-])cc1 ZINC000043650231 175085376 /nfs/dbraw/zinc/08/53/76/175085376.db2.gz MYOWTIHCTKCSMB-UKRRQHHQSA-N 1 0 262.353 3.435 10 5 CGBERO C[NH2+][C@H](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000062770870 522442015 /nfs/dbraw/zinc/44/20/15/522442015.db2.gz ZXQOKDSGRSIIFK-SNVBAGLBSA-N 1 0 260.293 3.005 10 5 CGBERO C[NH2+][C@H](C)[C@H](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104310598 185962842 /nfs/dbraw/zinc/96/28/42/185962842.db2.gz XRISELFDSZRGBM-RKDXNWHRSA-N 1 0 256.733 3.035 10 5 CGBERO C[NH+]1CCN(c2nc3ccccc3c3ccccc32)CC1 ZINC000013778637 368667063 /nfs/dbraw/zinc/66/70/63/368667063.db2.gz ZVJIBTNUNUXAIO-UHFFFAOYSA-N 1 0 277.371 3.140 10 5 in-vivo CGBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000313447443 374301868 /nfs/dbraw/zinc/30/18/68/374301868.db2.gz BOBVPJGSGBIFHL-MRVPVSSYSA-N 1 0 291.273 3.153 10 5 CGBERO CCc1ccc([C@@H]([NH2+]C)c2ccc([N+](=O)[O-])o2)cc1 ZINC000035494834 172227659 /nfs/dbraw/zinc/22/76/59/172227659.db2.gz JHZVKLODFYWQJP-CQSZACIVSA-N 1 0 260.293 3.059 10 5 CGBERO CC(C)(C)[C@H]([NH3+])CCCc1ccc([N+](=O)[O-])cc1 ZINC000035677927 172348452 /nfs/dbraw/zinc/34/84/52/172348452.db2.gz STVXBOYHRRKBJS-CYBMUJFWSA-N 1 0 250.342 3.291 10 5 CGBERO O=[N+]([O-])c1cc(C[NH2+]CC2CCCC2)c(F)cc1F ZINC000037255130 173066197 /nfs/dbraw/zinc/06/61/97/173066197.db2.gz FBIFZYTUFWQENT-UHFFFAOYSA-N 1 0 270.279 3.153 10 5 CGBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042188 174045158 /nfs/dbraw/zinc/04/51/58/174045158.db2.gz KQLVVOZJKVQIIN-CYBMUJFWSA-N 1 0 291.395 3.437 10 5 CGBERO C[NH2+]Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080293 174090107 /nfs/dbraw/zinc/09/01/07/174090107.db2.gz ZBAJOZWWAIWIHQ-UHFFFAOYSA-N 1 0 258.277 3.107 10 5 CGBERO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000049529442 522651418 /nfs/dbraw/zinc/65/14/18/522651418.db2.gz KIVBCERSOCQKME-JTQLQIEISA-N 1 0 266.322 3.490 10 5 CGBERO CC[N+](C)(C)CCCOC12CC3CC(CC(C3)C1)C2 ZINC000096336384 717141622 /nfs/dbraw/zinc/14/16/22/717141622.db2.gz CQWULUCFCVCCRH-UHFFFAOYSA-N 1 0 266.449 3.458 10 5 CGBERO CC[C@H]([NH2+][C@@H]1CO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000594933707 347233021 /nfs/dbraw/zinc/23/30/21/347233021.db2.gz AVFLVQWQMJMSAA-CFVMTHIKSA-N 1 0 278.352 3.203 10 5 CGBERO [NH3+][C@@H](CC(F)F)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000575437395 377910291 /nfs/dbraw/zinc/91/02/91/377910291.db2.gz DQWJDBLQEQWERY-ZETCQYMHSA-N 1 0 295.083 3.012 10 5 CGBERO CCC[NH2+][C@H](C)CCCc1ccc([N+](=O)[O-])cc1 ZINC000038001152 173963854 /nfs/dbraw/zinc/96/38/54/173963854.db2.gz FOXLKQWHRMHSIS-GFCCVEGCSA-N 1 0 250.342 3.306 10 5 CGBERO Cc1ccc(NC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000038029396 174020605 /nfs/dbraw/zinc/02/06/05/174020605.db2.gz AWDWRBVENXNKJF-CYBMUJFWSA-N 1 0 277.368 3.190 10 5 CGBERO C[C@@H](CNc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000038042130 174044263 /nfs/dbraw/zinc/04/42/63/174044263.db2.gz REBCLMXAXQQGAX-ZDUSSCGKSA-N 1 0 277.368 3.129 10 5 CGBERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037166530 270028971 /nfs/dbraw/zinc/02/89/71/270028971.db2.gz NYINIRSFTHKJPS-HIFRSBDPSA-N 1 0 293.411 3.222 10 5 CGBERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000135648014 288066497 /nfs/dbraw/zinc/06/64/97/288066497.db2.gz KTNYCSSMVYZITD-XHSDSOJGSA-N 1 0 292.379 3.329 10 5 CGBERO CC(C)(C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053302666 518759601 /nfs/dbraw/zinc/75/96/01/518759601.db2.gz JGEZNFWKSNXFKQ-UHFFFAOYSA-N 1 0 256.733 3.179 10 5 CGBERO CC(C)C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000050817466 519718141 /nfs/dbraw/zinc/71/81/41/519718141.db2.gz RZRZHAYLUCSLRU-UHFFFAOYSA-N 1 0 265.357 3.043 10 5 CGBERO CC(C)[C@H](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000061686286 519813935 /nfs/dbraw/zinc/81/39/35/519813935.db2.gz ZYRNZFGESUDFCJ-RISCZKNCSA-N 1 0 250.342 3.147 10 5 CGBERO CCCC[C@H](C[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000160674109 521192691 /nfs/dbraw/zinc/19/26/91/521192691.db2.gz NVAIQATWZJRKIO-LLVKDONJSA-N 1 0 288.351 3.072 10 5 CGBERO CC1(C)OC(=O)N(c2ccccc2)/C1=C/C[N+](C)(C)C ZINC000033286877 717121087 /nfs/dbraw/zinc/12/10/87/717121087.db2.gz KUZTUMAGYOXPKL-SDNWHVSQSA-N 1 0 275.372 3.012 10 5 CGBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000320209003 346488701 /nfs/dbraw/zinc/48/87/01/346488701.db2.gz FKAMQSIONVNDQL-YUMQZZPRSA-N 1 0 291.273 3.151 10 5 CGBERO O=[N+]([O-])c1ccc2sc(SC3CC[NH2+]CC3)nc2c1 ZINC000095092250 370174062 /nfs/dbraw/zinc/17/40/62/370174062.db2.gz ZXCAVZFQDKGJSZ-UHFFFAOYSA-N 1 0 295.389 3.049 10 5 CGBERO CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000134245229 371314572 /nfs/dbraw/zinc/31/45/72/371314572.db2.gz CDSOYXZITSPIFW-UGFHNGPFSA-N 1 0 278.352 3.203 10 5 CGBERO C[C@@H]([NH3+])CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235155839 376632117 /nfs/dbraw/zinc/63/21/17/376632117.db2.gz WYTAAJGUPKGWHQ-ZCFIWIBFSA-N 1 0 278.139 3.051 10 5 CGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000245509943 376837636 /nfs/dbraw/zinc/83/76/36/376837636.db2.gz VKLWUQSQNZAIBG-SCVCMEIPSA-N 1 0 264.325 3.053 10 5 CGBERO CCC[NH2+]CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000020524994 171237782 /nfs/dbraw/zinc/23/77/82/171237782.db2.gz RBILPJFPUUSJQE-UHFFFAOYSA-N 1 0 272.732 3.017 10 5 CGBERO CC(C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368258 172159710 /nfs/dbraw/zinc/15/97/10/172159710.db2.gz OVMXBEDWSNHVHM-SECBINFHSA-N 1 0 256.733 3.382 10 5 CGBERO CCc1ccc([C@H]([NH2+]C)c2ccc([N+](=O)[O-])o2)cc1 ZINC000035494832 172227806 /nfs/dbraw/zinc/22/78/06/172227806.db2.gz JHZVKLODFYWQJP-AWEZNQCLSA-N 1 0 260.293 3.059 10 5 CGBERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cccc([N+](=O)[O-])c1C ZINC000037949721 173890197 /nfs/dbraw/zinc/89/01/97/173890197.db2.gz ZPPGAXCWOVOSKQ-YPMHNXCESA-N 1 0 264.369 3.470 10 5 CGBERO CCC[NH2+][C@H](C)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000038001090 173963930 /nfs/dbraw/zinc/96/39/30/173963930.db2.gz PSRFJZFUMVGQDH-SNVBAGLBSA-N 1 0 254.305 3.055 10 5 CGBERO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000038028203 174016727 /nfs/dbraw/zinc/01/67/27/174016727.db2.gz QAFFDUCADFYPLI-UONOGXRCSA-N 1 0 291.395 3.120 10 5 CGBERO C[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038080288 174090053 /nfs/dbraw/zinc/09/00/53/174090053.db2.gz GUELFDTWEIZOFC-UHFFFAOYSA-N 1 0 258.277 3.107 10 5 CGBERO CC(C)CCC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038093809 174107707 /nfs/dbraw/zinc/10/77/07/174107707.db2.gz CNZWWCQRUYEUNT-UHFFFAOYSA-N 1 0 254.305 3.260 10 5 CGBERO C[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725271890 544115405 /nfs/dbraw/zinc/11/54/05/544115405.db2.gz VPIARHCEBBKVRO-SMDDNHRTSA-N 1 0 260.337 3.314 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000152885871 281022700 /nfs/dbraw/zinc/02/27/00/281022700.db2.gz OKJQBXFBPGWUTD-HUBLWGQQSA-N 1 0 278.352 3.121 10 5 CGBERO CCCC[C@@H](C[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000150334265 521049889 /nfs/dbraw/zinc/04/98/89/521049889.db2.gz ROWIAPNJILPGID-LBPRGKRZSA-N 1 0 288.351 3.072 10 5 CGBERO C[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1N)C(C)(C)C ZINC000050814900 524815303 /nfs/dbraw/zinc/81/53/03/524815303.db2.gz YVUJBQNTWWVSEE-JTQLQIEISA-N 1 0 265.357 3.043 10 5 CGBERO O=[N+]([O-])c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000050470256 527373255 /nfs/dbraw/zinc/37/32/55/527373255.db2.gz SOJNIGLESZKRIH-SNVBAGLBSA-N 1 0 284.743 3.159 10 5 CGBERO O=[N+]([O-])c1cc([C@H]2CCCC[NH2+]2)ccc1Br ZINC000309242945 346468570 /nfs/dbraw/zinc/46/85/70/346468570.db2.gz MHHOQFYIWKZATP-SNVBAGLBSA-N 1 0 285.141 3.172 10 5 CGBERO CC[C@@H]([NH2+][C@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000178316701 189106477 /nfs/dbraw/zinc/10/64/77/189106477.db2.gz PPDVBOIJXIINRR-IUODEOHRSA-N 1 0 280.368 3.451 10 5 CGBERO C[C@H]1C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335578 370471950 /nfs/dbraw/zinc/47/19/50/370471950.db2.gz YUCNIVJOQFQSBF-ZANVPECISA-N 1 0 289.360 3.216 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000247073712 377154481 /nfs/dbraw/zinc/15/44/81/377154481.db2.gz OKJQBXFBPGWUTD-YWPYICTPSA-N 1 0 278.352 3.121 10 5 CGBERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249613360 377518464 /nfs/dbraw/zinc/51/84/64/377518464.db2.gz JQOXUALRJHXKDF-HIFRSBDPSA-N 1 0 291.395 3.038 10 5 CGBERO CCC[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035581070 172277553 /nfs/dbraw/zinc/27/75/53/172277553.db2.gz UCUAPDHVXHOSPZ-LBPRGKRZSA-N 1 0 266.322 3.338 10 5 CGBERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000038004904 173966423 /nfs/dbraw/zinc/96/64/23/173966423.db2.gz VYXNRIGYPRMEIA-AAEUAGOBSA-N 1 0 280.368 3.170 10 5 CGBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042189 174045188 /nfs/dbraw/zinc/04/51/88/174045188.db2.gz KQLVVOZJKVQIIN-ZDUSSCGKSA-N 1 0 291.395 3.437 10 5 CGBERO C[C@@H]([NH3+])c1ccccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080398 174089969 /nfs/dbraw/zinc/08/99/69/174089969.db2.gz DSDVGYOFOLOZME-SNVBAGLBSA-N 1 0 258.277 3.407 10 5 CGBERO [NH3+][C@@H]1C[C@@]12CC=C(c1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000725265103 544113893 /nfs/dbraw/zinc/11/38/93/544113893.db2.gz FQSGEYMXZFZRIV-KGLIPLIRSA-N 1 0 262.284 3.019 10 5 CGBERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038004817 276268398 /nfs/dbraw/zinc/26/83/98/276268398.db2.gz MRCRUGSJVPXCNI-WDEREUQCSA-N 1 0 268.332 3.301 10 5 CGBERO CC[NH2+]Cc1csc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000050441292 520018669 /nfs/dbraw/zinc/01/86/69/520018669.db2.gz SVYUDXCBAKKXBH-UHFFFAOYSA-N 1 0 277.349 3.136 10 5 CGBERO CCCCCOc1cc(C[NH2+]CC)ccc1[N+](=O)[O-] ZINC000050517008 520247627 /nfs/dbraw/zinc/24/76/27/520247627.db2.gz DTLBOUFEUNFIOH-UHFFFAOYSA-N 1 0 266.341 3.273 10 5 CGBERO C[N+](C)(C)CCCn1ccc2nc3ccccc3c-2c1 ZINC000606573705 717187220 /nfs/dbraw/zinc/18/72/20/717187220.db2.gz PVJMPAJZIXHMBO-UHFFFAOYSA-N 1 0 268.384 3.237 10 5 CGBERO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111830431 370408336 /nfs/dbraw/zinc/40/83/36/370408336.db2.gz ZJMUSHNVSMSZJH-VIFPVBQESA-N 1 0 271.748 3.034 10 5 CGBERO C[C@H]1C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335581 370471755 /nfs/dbraw/zinc/47/17/55/370471755.db2.gz YUCNIVJOQFQSBF-TVQRCGJNSA-N 1 0 289.360 3.216 10 5 CGBERO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302820779 373973511 /nfs/dbraw/zinc/97/35/11/373973511.db2.gz PXGCFHFYEMHDOU-NWDGAFQWSA-N 1 0 281.331 3.019 10 5 CGBERO C[NH2+]Cc1ccccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080483 174090138 /nfs/dbraw/zinc/09/01/38/174090138.db2.gz ZSJYEIYRXCOCTQ-UHFFFAOYSA-N 1 0 258.277 3.107 10 5 CGBERO CC(C)[C@@H](CCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000062726979 519793174 /nfs/dbraw/zinc/79/31/74/519793174.db2.gz ONJHHHJXAWYUIH-DGCLKSJQSA-N 1 0 250.342 3.147 10 5 CGBERO CCOc1ccc(OCC[N+](C)(C)C2CCCC2)cc1 ZINC000058784976 717131059 /nfs/dbraw/zinc/13/10/59/717131059.db2.gz OYWMOJGOANPPRL-UHFFFAOYSA-N 1 0 278.416 3.483 10 5 CGBERO [NH3+]Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000514264538 346636543 /nfs/dbraw/zinc/63/65/43/346636543.db2.gz LQYHMUMCCTVAMK-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000596030191 347376130 /nfs/dbraw/zinc/37/61/30/347376130.db2.gz NRIVUQLIAHYYMV-LLVKDONJSA-N 1 0 271.748 3.034 10 5 CGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152819125 371727589 /nfs/dbraw/zinc/72/75/89/371727589.db2.gz XXNVYSGBWSXXCU-XNRPHZJLSA-N 1 0 290.363 3.157 10 5 CGBERO CC[C@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459708 287065715 /nfs/dbraw/zinc/06/57/15/287065715.db2.gz IPLQPNUYBFOYMV-JSGCOSHPSA-N 1 0 262.353 3.306 10 5 CGBERO CCCCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC ZINC000035414723 172188235 /nfs/dbraw/zinc/18/82/35/172188235.db2.gz YBRIBZJDDFIPGP-UHFFFAOYSA-N 1 0 266.341 3.273 10 5 CGBERO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC2)c(Br)c1 ZINC000037516399 173247169 /nfs/dbraw/zinc/24/71/69/173247169.db2.gz TXMVOZXEYCWFPI-UHFFFAOYSA-N 1 0 299.168 3.247 10 5 CGBERO C[C@H](CNc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000038042151 174044136 /nfs/dbraw/zinc/04/41/36/174044136.db2.gz CZZSQPCWGCBUGW-GFCCVEGCSA-N 1 0 295.358 3.268 10 5 CGBERO C[NH+](C)CCNc1cccc2sc3ccccc3c(=O)c12 ZINC000143901720 346116154 /nfs/dbraw/zinc/11/61/54/346116154.db2.gz RUBNNOCHPWAMRE-UHFFFAOYSA-N 1 0 298.411 3.388 10 5 CGBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000070463602 165061940 /nfs/dbraw/zinc/06/19/40/165061940.db2.gz GCQRPHNSAVXORW-SNVBAGLBSA-N 1 0 291.273 3.009 10 5 CGBERO CCCn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000091012223 165249350 /nfs/dbraw/zinc/24/93/50/165249350.db2.gz JYJDOYOSGDOEOE-UHFFFAOYSA-N 1 0 273.336 3.096 10 5 CGBERO CCn1cccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000091025572 165253991 /nfs/dbraw/zinc/25/39/91/165253991.db2.gz URTOKOBQVNPZDE-LBPRGKRZSA-N 1 0 273.336 3.267 10 5 CGBERO C[NH2+][C@H](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000038001227 173963874 /nfs/dbraw/zinc/96/38/74/173963874.db2.gz MDPGFNVJBVRYHD-CYBMUJFWSA-N 1 0 250.342 3.162 10 5 CGBERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])o2)s1 ZINC000049160500 525734484 /nfs/dbraw/zinc/73/44/84/525734484.db2.gz PZDFINLCKLAFMF-SECBINFHSA-N 1 0 266.322 3.409 10 5 CGBERO O=[N+]([O-])c1ccc(F)cc1NC1CC[NH+](CC2CC2)CC1 ZINC000302819805 201566014 /nfs/dbraw/zinc/56/60/14/201566014.db2.gz OQSNNYJBRUMXSW-UHFFFAOYSA-N 1 0 293.342 3.020 10 5 CGBERO C[C@H]([C@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1 ZINC000000163981 368306038 /nfs/dbraw/zinc/30/60/38/368306038.db2.gz GEBWLJOOGXIBCH-QAPCUYQASA-N 1 0 270.396 3.385 10 5 CGBERO CC[N@@H+]1CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352092 369437046 /nfs/dbraw/zinc/43/70/46/369437046.db2.gz GVGQICGNYBIMRK-JTQLQIEISA-N 1 0 283.759 3.144 10 5 CGBERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247190179 377173972 /nfs/dbraw/zinc/17/39/72/377173972.db2.gz VSQBVUCOZFZMDU-ZIAGYGMSSA-N 1 0 291.395 3.038 10 5 CGBERO CCCCCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC ZINC000035414679 172188653 /nfs/dbraw/zinc/18/86/53/172188653.db2.gz IHWQMUGHORLLKA-UHFFFAOYSA-N 1 0 266.341 3.273 10 5 CGBERO CCC[NH2+][C@H](C)[C@H](C)Cc1cccc([N+](=O)[O-])c1C ZINC000037949722 173889967 /nfs/dbraw/zinc/88/99/67/173889967.db2.gz ZPPGAXCWOVOSKQ-DGCLKSJQSA-N 1 0 264.369 3.470 10 5 CGBERO CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044273 174052241 /nfs/dbraw/zinc/05/22/41/174052241.db2.gz STCUGUPCMCIGCL-SWLSCSKDSA-N 1 0 278.352 3.062 10 5 CGBERO CC1CC[NH+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000725270620 544115471 /nfs/dbraw/zinc/11/54/71/544115471.db2.gz BXDMROUETBPIOR-CQSZACIVSA-N 1 0 260.337 3.314 10 5 CGBERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000252862772 288066514 /nfs/dbraw/zinc/06/65/14/288066514.db2.gz KTNYCSSMVYZITD-ARFHVFGLSA-N 1 0 292.379 3.329 10 5 CGBERO [NH3+]Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1C(F)(F)F ZINC000514264514 346636329 /nfs/dbraw/zinc/63/63/29/346636329.db2.gz WBFOYKHKCFCWON-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO [NH3+]Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000514264531 346636463 /nfs/dbraw/zinc/63/64/63/346636463.db2.gz HYSARXPLPILINZ-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO C[N+](C)(C)c1ccccc1OC(=O)c1ccccc1 ZINC000001998255 368443352 /nfs/dbraw/zinc/44/33/52/368443352.db2.gz AORMMSJCFCPICU-UHFFFAOYSA-N 1 0 256.325 3.103 10 5 CGBERO CC(C)C[C@H](CNc1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000302824565 373975662 /nfs/dbraw/zinc/97/56/62/373975662.db2.gz XCJLTTUROAWXHN-GFCCVEGCSA-N 1 0 283.347 3.122 10 5 CGBERO Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245545301 376848710 /nfs/dbraw/zinc/84/87/10/376848710.db2.gz TWCCMBNCWHRKII-GDBMZVCRSA-N 1 0 290.363 3.047 10 5 CGBERO O=[N+]([O-])c1ccc2sc(S[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092249 285152601 /nfs/dbraw/zinc/15/26/01/285152601.db2.gz FBIMORGNOUWPPG-VIFPVBQESA-N 1 0 295.389 3.049 10 5 CGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000245538874 292295352 /nfs/dbraw/zinc/29/53/52/292295352.db2.gz ZGOOQVKMTWNFRF-NWDGAFQWSA-N 1 0 280.393 3.402 10 5 CGBERO CC[NH2+][C@H](C)[C@H](C)Cc1cccc([N+](=O)[O-])c1C ZINC000037949530 173890204 /nfs/dbraw/zinc/89/02/04/173890204.db2.gz AEIWHGVISBCSDT-ZYHUDNBSSA-N 1 0 250.342 3.080 10 5 CGBERO CC[NH2+][C@H](C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000395754529 288010525 /nfs/dbraw/zinc/01/05/25/288010525.db2.gz FJTJPESPSRXNGI-MRVPVSSYSA-N 1 0 291.273 3.024 10 5 CGBERO C[C@H](C[C@H](C)[NH3+])Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000320304509 321961641 /nfs/dbraw/zinc/96/16/41/321961641.db2.gz JGRFQVFCAUNVNA-NKWVEPMBSA-N 1 0 292.166 3.439 10 5 CGBERO O=[N+]([O-])c1cc(Cl)c(OCC[NH2+]C2CC2)c(Cl)c1 ZINC000050440574 527330456 /nfs/dbraw/zinc/33/04/56/527330456.db2.gz VFMJXPBKCNIUBN-UHFFFAOYSA-N 1 0 291.134 3.032 10 5 CGBERO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000130014091 636408086 /nfs/dbraw/zinc/40/80/86/636408086.db2.gz KPODCXBITJRARD-UHFFFAOYSA-N 1 0 297.786 3.074 10 5 CGBERO CC[C@H](CSC)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000163869208 188617261 /nfs/dbraw/zinc/61/72/61/188617261.db2.gz BWSUDHXZQFGNRZ-SNVBAGLBSA-N 1 0 288.800 3.479 10 5 CGBERO CC(C)[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105808621 138353008 /nfs/dbraw/zinc/35/30/08/138353008.db2.gz NSAKDMZGMPZZMX-VIFPVBQESA-N 1 0 256.733 3.382 10 5 CGBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000154918657 371890708 /nfs/dbraw/zinc/89/07/08/371890708.db2.gz RQHMZSUAWLUUOU-CYBMUJFWSA-N 1 0 289.379 3.048 10 5 CGBERO CC[C@@H]([NH2+][C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000161598441 372339658 /nfs/dbraw/zinc/33/96/58/372339658.db2.gz DWRAUIMGUYPBLE-WCQYABFASA-N 1 0 266.366 3.141 10 5 CGBERO CCc1cc([N+](=O)[O-])cc2nc(-c3cc[n+](CC)cc3)oc21 ZINC000226234734 376344843 /nfs/dbraw/zinc/34/48/43/376344843.db2.gz ZJLZTJLFIAJFCB-UHFFFAOYSA-N 1 0 298.322 3.273 10 5 CGBERO [NH3+]Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575379662 377891132 /nfs/dbraw/zinc/89/11/32/377891132.db2.gz JGELSTXCIUIVLF-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO CC[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035509909 172241294 /nfs/dbraw/zinc/24/12/94/172241294.db2.gz WGZHHSYQKDUTFT-LBPRGKRZSA-N 1 0 266.322 3.257 10 5 CGBERO C[C@@H]([NH3+])c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000038080404 174090211 /nfs/dbraw/zinc/09/02/11/174090211.db2.gz YPORQUPYNSVISO-SNVBAGLBSA-N 1 0 258.277 3.407 10 5 CGBERO [NH3+][C@H]1C[C@@]12CC=C(c1cc([N+](=O)[O-])ccc1F)CC2 ZINC000725265275 544114117 /nfs/dbraw/zinc/11/41/17/544114117.db2.gz WDSMSHBDRPXRBC-KBPBESRZSA-N 1 0 262.284 3.019 10 5 CGBERO [NH3+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(F)(F)F ZINC000514264574 346636285 /nfs/dbraw/zinc/63/62/85/346636285.db2.gz ZUJLRUXRZIBRKH-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000160547279 188478853 /nfs/dbraw/zinc/47/88/53/188478853.db2.gz ZJPVNCHIKBJCQH-XEZPLFJOSA-N 1 0 292.379 3.105 10 5 CGBERO O=[N+]([O-])c1ccc(F)cc1NCC[NH+]1CCCCCC1 ZINC000052120093 369464771 /nfs/dbraw/zinc/46/47/71/369464771.db2.gz NCJXQMWYWFXCPU-UHFFFAOYSA-N 1 0 281.331 3.022 10 5 CGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000245509942 376836626 /nfs/dbraw/zinc/83/66/26/376836626.db2.gz VKLWUQSQNZAIBG-JFGNBEQYSA-N 1 0 264.325 3.053 10 5 CGBERO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255088289 377731115 /nfs/dbraw/zinc/73/11/15/377731115.db2.gz MCWTVWWXFCRMPQ-RNZFLTOJSA-N 1 0 278.377 3.045 10 5 CGBERO Cc1cc(N[C@H]2C[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484591 393018709 /nfs/dbraw/zinc/01/87/09/393018709.db2.gz UXVGZEVUGTVVJA-OQPBUACISA-N 1 0 257.293 3.272 10 5 CGBERO O=[N+]([O-])c1ccc(/C(=C/c2ccco2)[n+]2ccccc2)o1 ZINC000005344607 170088177 /nfs/dbraw/zinc/08/81/77/170088177.db2.gz KRRPYRVTGURHGZ-QBFSEMIESA-N 1 0 283.263 3.115 10 5 CGBERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000038004722 173966694 /nfs/dbraw/zinc/96/66/94/173966694.db2.gz IHHYZAQPPCDZRW-AAEUAGOBSA-N 1 0 250.342 3.162 10 5 CGBERO CC(C)[C@H](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000061686288 519813975 /nfs/dbraw/zinc/81/39/75/519813975.db2.gz ZYRNZFGESUDFCJ-FZMZJTMJSA-N 1 0 250.342 3.147 10 5 CGBERO CCCOc1cc(C[NH2+]CC(C)C)ccc1[N+](=O)[O-] ZINC000062733415 520305864 /nfs/dbraw/zinc/30/58/64/520305864.db2.gz WVWAPKZUFDPLDJ-UHFFFAOYSA-N 1 0 266.341 3.129 10 5 CGBERO C[NH+](C)[C@@]1(C)CC=C(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000725256751 570259638 /nfs/dbraw/zinc/25/96/38/570259638.db2.gz NLLNUTZVWJUKKL-HNNXBMFYSA-N 1 0 260.337 3.482 10 5 CGBERO C[N+](C)(C)C/C=C\C(O)(c1ccccc1)c1ccccc1 ZINC000006129692 717104761 /nfs/dbraw/zinc/10/47/61/717104761.db2.gz ZWZZJARDWMCYOZ-GDNBJRDFSA-N 1 0 282.407 3.185 10 5 CGBERO CC[N+](CC)(CC)CC(F)(F)[C@@H](F)C(F)(F)F ZINC000098210539 185699617 /nfs/dbraw/zinc/69/96/17/185699617.db2.gz YWJHIAVBVBUEHY-MRVPVSSYSA-N 1 0 266.249 3.399 10 5 CGBERO Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000097829708 138349027 /nfs/dbraw/zinc/34/90/27/138349027.db2.gz NCIGLTWKBJZGDI-UHFFFAOYSA-N 1 0 283.331 3.119 10 5 CGBERO C[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)c(C)c1 ZINC000035456890 172206538 /nfs/dbraw/zinc/20/65/38/172206538.db2.gz AKFLXLSQYJIAFR-AWEZNQCLSA-N 1 0 260.293 3.113 10 5 CGBERO CCC[NH2+][C@@H](CCC)Cc1ccc([N+](=O)[O-])cc1 ZINC000038133931 174132148 /nfs/dbraw/zinc/13/21/48/174132148.db2.gz CWYVBYKNPNYXKT-ZDUSSCGKSA-N 1 0 250.342 3.306 10 5 CGBERO [NH3+][C@H]1CCCCC[C@H]1CCc1ccc([N+](=O)[O-])cc1 ZINC000043650225 175085568 /nfs/dbraw/zinc/08/55/68/175085568.db2.gz MYOWTIHCTKCSMB-ZFWWWQNUSA-N 1 0 262.353 3.435 10 5 CGBERO CC(C)[NH2+]CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440439 519721814 /nfs/dbraw/zinc/72/18/14/519721814.db2.gz JHRKJLGXFDTVDT-UHFFFAOYSA-N 1 0 293.150 3.278 10 5 CGBERO CC(C)(C)[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302819737 201564551 /nfs/dbraw/zinc/56/45/51/201564551.db2.gz OOBNLVMZNMBYAK-UHFFFAOYSA-N 1 0 295.358 3.409 10 5 CGBERO C=Cc1c2c(cc3ccccc31)C[N+]1(C2)CCOCC1 ZINC000005631413 368564508 /nfs/dbraw/zinc/56/45/08/368564508.db2.gz VCHFLQPTRLOPDQ-UHFFFAOYSA-N 1 0 266.364 3.343 10 5 CGBERO CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164083095 372506327 /nfs/dbraw/zinc/50/63/27/372506327.db2.gz WGVUPARNLPTFAW-ZIAGYGMSSA-N 1 0 280.368 3.043 10 5 CGBERO CCC[C@@H](CC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726557 520686721 /nfs/dbraw/zinc/68/67/21/520686721.db2.gz BDERZYJXKZCGDX-CYBMUJFWSA-N 1 0 250.342 3.306 10 5 CGBERO CCC[C@@H]([NH2+]C1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000230675453 623259106 /nfs/dbraw/zinc/25/91/06/623259106.db2.gz VNKQWIQVINKNAT-PESDSKBTSA-N 1 0 278.352 3.203 10 5 CGBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000320239234 346488661 /nfs/dbraw/zinc/48/86/61/346488661.db2.gz IGNRJTDZEDQKGA-SFYZADRCSA-N 1 0 291.273 3.151 10 5 CGBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000320208998 346488727 /nfs/dbraw/zinc/48/87/27/346488727.db2.gz FKAMQSIONVNDQL-HTQZYQBOSA-N 1 0 291.273 3.151 10 5 CGBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177695023 373702019 /nfs/dbraw/zinc/70/20/19/373702019.db2.gz CGBGPOCXQCCBLX-XJKSGUPXSA-N 1 0 291.395 3.072 10 5 CGBERO CC(C)[C@@H]([NH3+])CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000070447979 165061555 /nfs/dbraw/zinc/06/15/55/165061555.db2.gz JNUIKHICKLWRAO-VIFPVBQESA-N 1 0 291.273 3.009 10 5 CGBERO CCC[NH2+][C@H](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000037949596 173890082 /nfs/dbraw/zinc/89/00/82/173890082.db2.gz PKRQUWJIPOHELT-NWDGAFQWSA-N 1 0 250.342 3.162 10 5 CGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040503264 174300052 /nfs/dbraw/zinc/30/00/52/174300052.db2.gz DELKUKCZVVSOJA-LLVKDONJSA-N 1 0 283.759 3.144 10 5 CGBERO CC(C)[NH2+]CCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000569678380 322254117 /nfs/dbraw/zinc/25/41/17/322254117.db2.gz XBLXLMXACFTTBZ-UHFFFAOYSA-N 1 0 271.748 3.048 10 5 CGBERO CNc1ccc(C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000050817037 522606355 /nfs/dbraw/zinc/60/63/55/522606355.db2.gz BAEDJVFPHSPZQH-UHFFFAOYSA-N 1 0 265.357 3.114 10 5 CGBERO Cc1ccc(NCc2ccc(CC[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000052899378 618738596 /nfs/dbraw/zinc/73/85/96/618738596.db2.gz JNGCTQDMWZXGHM-UHFFFAOYSA-N 1 0 285.347 3.017 10 5 CGBERO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH2+]CC2)c(Cl)c1 ZINC000236042486 346338476 /nfs/dbraw/zinc/33/84/76/346338476.db2.gz FMUPTZYFVHOMJM-UHFFFAOYSA-N 1 0 290.150 3.066 10 5 CGBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000320239232 346488842 /nfs/dbraw/zinc/48/88/42/346488842.db2.gz IGNRJTDZEDQKGA-JGVFFNPUSA-N 1 0 291.273 3.151 10 5 CGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000153578750 188090585 /nfs/dbraw/zinc/09/05/85/188090585.db2.gz VKLWUQSQNZAIBG-NHCYSSNCSA-N 1 0 264.325 3.053 10 5 CGBERO Cc1cccc([N+](=O)[O-])c1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829986 138348945 /nfs/dbraw/zinc/34/89/45/138348945.db2.gz LILASJXFFAYDMF-UHFFFAOYSA-N 1 0 283.331 3.119 10 5 CGBERO CCc1ccc([C@H]([NH2+]C)c2ccc([N+](=O)[O-])o2)s1 ZINC000035460493 172209205 /nfs/dbraw/zinc/20/92/05/172209205.db2.gz JFZVWNJRQQISKJ-GFCCVEGCSA-N 1 0 266.322 3.121 10 5 CGBERO C[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725271888 544115313 /nfs/dbraw/zinc/11/53/13/544115313.db2.gz VPIARHCEBBKVRO-RISCZKNCSA-N 1 0 260.337 3.314 10 5 CGBERO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000252696393 287842457 /nfs/dbraw/zinc/84/24/57/287842457.db2.gz ZJPVNCHIKBJCQH-WOSRLPQWSA-N 1 0 292.379 3.105 10 5 CGBERO CC[C@@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000050444467 522626659 /nfs/dbraw/zinc/62/66/59/522626659.db2.gz PQIZAIJTEQZDJE-IUCAKERBSA-N 1 0 256.733 3.164 10 5 CGBERO CS[C@@H](C)C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128102744 187351232 /nfs/dbraw/zinc/35/12/32/187351232.db2.gz GPRBNVZTYXHDBA-QMMMGPOBSA-N 1 0 274.773 3.089 10 5 CGBERO C[NH+](C)CCN=c1c2ccccc2oc2ccccc21 ZINC000027088943 368868136 /nfs/dbraw/zinc/86/81/36/368868136.db2.gz UONUHGGBHSYORU-UHFFFAOYSA-N 1 0 266.344 3.048 10 5 CGBERO CC[C@H]([NH2+][C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000161598306 372340320 /nfs/dbraw/zinc/34/03/20/372340320.db2.gz DWRAUIMGUYPBLE-AAEUAGOBSA-N 1 0 266.366 3.141 10 5 CGBERO C[C@@H]([NH3+])C[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000320304511 374350838 /nfs/dbraw/zinc/35/08/38/374350838.db2.gz JGRFQVFCAUNVNA-RQJHMYQMSA-N 1 0 292.166 3.439 10 5 CGBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245457685 376823111 /nfs/dbraw/zinc/82/31/11/376823111.db2.gz CGBGPOCXQCCBLX-CJNGLKHVSA-N 1 0 291.395 3.072 10 5 CGBERO CC[C@@H]([NH2+][C@@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720445 392711251 /nfs/dbraw/zinc/71/12/51/392711251.db2.gz ACFOKKVAIVTZHP-ZUZCIYMTSA-N 1 0 288.351 3.428 10 5 CGBERO CCn1cccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000091025573 165254154 /nfs/dbraw/zinc/25/41/54/165254154.db2.gz URTOKOBQVNPZDE-GFCCVEGCSA-N 1 0 273.336 3.267 10 5 CGBERO CC[NH2+][C@@H](CC)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000037948679 173889342 /nfs/dbraw/zinc/88/93/42/173889342.db2.gz VAWDSTCWHMREKD-LBPRGKRZSA-N 1 0 254.305 3.055 10 5 CGBERO C[C@H]([NH3+])c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080584 174090008 /nfs/dbraw/zinc/09/00/08/174090008.db2.gz UYQWXCQDGKXXIO-JTQLQIEISA-N 1 0 258.277 3.407 10 5 CGBERO Cc1c(Oc2ccc(C[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000038081658 174090370 /nfs/dbraw/zinc/09/03/70/174090370.db2.gz BKHFGRUNMRDNGZ-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO [NH3+][C@H]1CCCCC[C@@H]1CCc1ccc([N+](=O)[O-])cc1 ZINC000043650227 175085631 /nfs/dbraw/zinc/08/56/31/175085631.db2.gz MYOWTIHCTKCSMB-HIFRSBDPSA-N 1 0 262.353 3.435 10 5 CGBERO C[C@]1([NH3+])CC=C(c2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000725272217 544115426 /nfs/dbraw/zinc/11/54/26/544115426.db2.gz IOIGKERUARNHFV-ZDUSSCGKSA-N 1 0 250.273 3.019 10 5 CGBERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037166531 270028941 /nfs/dbraw/zinc/02/89/41/270028941.db2.gz NYINIRSFTHKJPS-UKRRQHHQSA-N 1 0 293.411 3.222 10 5 CGBERO CC[C@@H]([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000233892911 273721566 /nfs/dbraw/zinc/72/15/66/273721566.db2.gz RKHYOLYUSVGJHD-ZCFIWIBFSA-N 1 0 278.139 3.051 10 5 CGBERO CCCNc1ccc([N+](=O)[O-])cc1C[NH+]1CCCC1 ZINC000050792187 520170378 /nfs/dbraw/zinc/17/03/78/520170378.db2.gz JYRGBYFXAFKYPB-UHFFFAOYSA-N 1 0 263.341 3.013 10 5 CGBERO Cc1ccsc1[C@@H]([NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000038128314 344954697 /nfs/dbraw/zinc/95/46/97/344954697.db2.gz YJLRPEGVBLRJNU-NSHDSACASA-N 1 0 262.334 3.207 10 5 CGBERO CC1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000159916541 188447510 /nfs/dbraw/zinc/44/75/10/188447510.db2.gz QOBTZHOZJKNDNM-UHFFFAOYSA-N 1 0 254.717 3.280 10 5 CGBERO C[C@@H](CCCC[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000310809849 138582854 /nfs/dbraw/zinc/58/28/54/138582854.db2.gz BWHMRXUXXRBAIQ-VIFPVBQESA-N 1 0 271.748 3.178 10 5 CGBERO CC[C@H]([NH2+][C@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000178316684 189106654 /nfs/dbraw/zinc/10/66/54/189106654.db2.gz PPDVBOIJXIINRR-DOMZBBRYSA-N 1 0 280.368 3.451 10 5 CGBERO CC[C@@H]([NH2+][C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000161598169 372340413 /nfs/dbraw/zinc/34/04/13/372340413.db2.gz DWRAUIMGUYPBLE-DGCLKSJQSA-N 1 0 266.366 3.141 10 5 CGBERO C[C@@H](CCCC[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000311055107 374231480 /nfs/dbraw/zinc/23/14/80/374231480.db2.gz XXGWKCHTWMAJSG-VIFPVBQESA-N 1 0 271.748 3.178 10 5 CGBERO CC(C)[NH+](CCNc1cccc([N+](=O)[O-])c1)C(C)C ZINC000035367415 172159759 /nfs/dbraw/zinc/15/97/59/172159759.db2.gz KEWXEWWISLTBEN-UHFFFAOYSA-N 1 0 265.357 3.126 10 5 CGBERO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000049130416 522878321 /nfs/dbraw/zinc/87/83/21/522878321.db2.gz UHBWKDMEUXZXHR-GFCCVEGCSA-N 1 0 266.341 3.128 10 5 CGBERO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000070190148 624974821 /nfs/dbraw/zinc/97/48/21/624974821.db2.gz YHAOLNCDGRKEJH-UHFFFAOYSA-N 1 0 297.786 3.074 10 5 CGBERO CCC[N@H+]1CC=C(c2cc(OC)c([N+](=O)[O-])cc2C)CC1 ZINC000113540962 345960889 /nfs/dbraw/zinc/96/08/89/345960889.db2.gz KGVCVAIZTHMGKA-UHFFFAOYSA-N 1 0 290.363 3.411 10 5 CGBERO C[NH+]1CCC(C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000222663931 346299909 /nfs/dbraw/zinc/29/99/09/346299909.db2.gz KERDLNWDUBXEKL-UHFFFAOYSA-N 1 0 262.353 3.214 10 5 CGBERO CC[C@H]([NH2+][C@H]1CO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000594933711 347233094 /nfs/dbraw/zinc/23/30/94/347233094.db2.gz AVFLVQWQMJMSAA-YUELXQCFSA-N 1 0 278.352 3.203 10 5 CGBERO O=[N+]([O-])c1ccc(OCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000000013940 368271256 /nfs/dbraw/zinc/27/12/56/368271256.db2.gz XNJAGXCZRUPRKN-UHFFFAOYSA-N 1 0 290.363 3.096 10 5 CGBERO C[NH+](C)CCCN=c1c2ccccc2oc2ccccc21 ZINC000027088317 368868031 /nfs/dbraw/zinc/86/80/31/368868031.db2.gz DHUXBIPIHHTOBN-UHFFFAOYSA-N 1 0 280.371 3.438 10 5 CGBERO CCC[n+]1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1 ZINC000226777769 376373165 /nfs/dbraw/zinc/37/31/65/376373165.db2.gz SBDRNKLLBCQJJL-UHFFFAOYSA-N 1 0 298.322 3.409 10 5 CGBERO CC(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000020524993 171237888 /nfs/dbraw/zinc/23/78/88/171237888.db2.gz BXKBTJOAQIKUMZ-UHFFFAOYSA-N 1 0 272.732 3.015 10 5 CGBERO [NH3+][C@H]1C[C@]12CC=C(c1cc([N+](=O)[O-])ccc1F)CC2 ZINC000725265277 544114222 /nfs/dbraw/zinc/11/42/22/544114222.db2.gz WDSMSHBDRPXRBC-UONOGXRCSA-N 1 0 262.284 3.019 10 5 CGBERO CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000135648064 276592265 /nfs/dbraw/zinc/59/22/65/276592265.db2.gz KTNYCSSMVYZITD-JYJNAYRXSA-N 1 0 292.379 3.329 10 5 CGBERO CCC[N@H+](CC)Cc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000050812869 521614643 /nfs/dbraw/zinc/61/46/43/521614643.db2.gz SQDYWNVCOOESMF-UHFFFAOYSA-N 1 0 265.357 3.259 10 5 CGBERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000062770869 522323976 /nfs/dbraw/zinc/32/39/76/522323976.db2.gz ZXQOKDSGRSIIFK-JTQLQIEISA-N 1 0 260.293 3.005 10 5 CGBERO C[C@H]([NH3+])Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000062771013 524834148 /nfs/dbraw/zinc/83/41/48/524834148.db2.gz HUDRAWFFDLITAR-QMMMGPOBSA-N 1 0 280.711 3.398 10 5 CGBERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000050370126 618097452 /nfs/dbraw/zinc/09/74/52/618097452.db2.gz MLHKTBHXTHEWNZ-KKUMJFAQSA-N 1 0 278.352 3.203 10 5 CGBERO C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000125195099 187174347 /nfs/dbraw/zinc/17/43/47/187174347.db2.gz RMTBUSJISMIWEB-ZJUUUORDSA-N 1 0 283.759 3.048 10 5 CGBERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccccc1[N+](=O)[O-] ZINC000610576103 348391195 /nfs/dbraw/zinc/39/11/95/348391195.db2.gz OZMYKBZFGIVFBD-KGLIPLIRSA-N 1 0 289.379 3.048 10 5 CGBERO CC[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000252862773 377666669 /nfs/dbraw/zinc/66/66/69/377666669.db2.gz KTNYCSSMVYZITD-HRCADAONSA-N 1 0 292.379 3.329 10 5 CGBERO CSCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000076761437 177086187 /nfs/dbraw/zinc/08/61/87/177086187.db2.gz DNQJPRBMBKOZOV-UHFFFAOYSA-N 1 0 274.773 3.091 10 5 CGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171696748 534093934 /nfs/dbraw/zinc/09/39/34/534093934.db2.gz CYMQGKSDNCSLPS-QWRGUYRKSA-N 1 0 266.366 3.093 10 5 CGBERO CC(C)[C@H]([NH3+])CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000596030119 347376125 /nfs/dbraw/zinc/37/61/25/347376125.db2.gz JWLHSMPEDPIHEK-SNVBAGLBSA-N 1 0 271.748 3.034 10 5 CGBERO O=[N+]([O-])c1ccc2sc(SC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092253 370173873 /nfs/dbraw/zinc/17/38/73/370173873.db2.gz NGROHMPNNCCXJZ-QMMMGPOBSA-N 1 0 295.389 3.049 10 5 CGBERO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000131324547 371100070 /nfs/dbraw/zinc/10/00/70/371100070.db2.gz MCWTVWWXFCRMPQ-FUEXJSSKSA-N 1 0 278.377 3.045 10 5 CGBERO COCCCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000227442595 130844908 /nfs/dbraw/zinc/84/49/08/130844908.db2.gz TXVNDAYCLPEYQO-UHFFFAOYSA-N 1 0 286.759 3.155 10 5 CGBERO CC[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459714 287065863 /nfs/dbraw/zinc/06/58/63/287065863.db2.gz IPLQPNUYBFOYMV-GXTWGEPZSA-N 1 0 262.353 3.306 10 5 CGBERO Cc1cc(NC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000038029402 174020236 /nfs/dbraw/zinc/02/02/36/174020236.db2.gz MRIZDZROSCREGY-CYBMUJFWSA-N 1 0 277.368 3.190 10 5 CGBERO C[C@H](CNc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000038042131 174044304 /nfs/dbraw/zinc/04/43/04/174044304.db2.gz REBCLMXAXQQGAX-CYBMUJFWSA-N 1 0 277.368 3.129 10 5 CGBERO C[NH2+]Cc1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080668 174090783 /nfs/dbraw/zinc/09/07/83/174090783.db2.gz GTWYBVNLTRBIHU-UHFFFAOYSA-N 1 0 258.277 3.107 10 5 CGBERO CC(C)[C@@H](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000061686285 519793140 /nfs/dbraw/zinc/79/31/40/519793140.db2.gz ZYRNZFGESUDFCJ-BXUZGUMPSA-N 1 0 250.342 3.147 10 5 CGBERO C[NH2+][C@@H](CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000050444423 522351185 /nfs/dbraw/zinc/35/11/85/522351185.db2.gz PWDRKMZABHOUGY-LBPRGKRZSA-N 1 0 270.760 3.425 10 5 CGBERO CNc1ccc(C[N@H+](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000050817666 522606323 /nfs/dbraw/zinc/60/63/23/522606323.db2.gz CGOSICOUGNKISP-UHFFFAOYSA-N 1 0 265.357 3.114 10 5 CGBERO Cc1cccc([N+](=O)[O-])c1NCc1ccc(CC[NH3+])cc1 ZINC000157581350 617681952 /nfs/dbraw/zinc/68/19/52/617681952.db2.gz CASIIIAGNMAKSK-UHFFFAOYSA-N 1 0 285.347 3.017 10 5 CGBERO CC[C@H]([NH2+][C@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000251247217 640823259 /nfs/dbraw/zinc/82/32/59/640823259.db2.gz MLHKTBHXTHEWNZ-SOUVJXGZSA-N 1 0 278.352 3.203 10 5 CGBERO C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000125194736 187174374 /nfs/dbraw/zinc/17/43/74/187174374.db2.gz RMTBUSJISMIWEB-NXEZZACHSA-N 1 0 283.759 3.048 10 5 CGBERO CC(C)[C@H]([NH3+])CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000596030445 347376052 /nfs/dbraw/zinc/37/60/52/347376052.db2.gz ZNGILXPQEQHWKL-SNVBAGLBSA-N 1 0 271.748 3.034 10 5 CGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000153578562 188090090 /nfs/dbraw/zinc/09/00/90/188090090.db2.gz VKLWUQSQNZAIBG-JBLDHEPKSA-N 1 0 264.325 3.053 10 5 CGBERO Cc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000038019326 369142134 /nfs/dbraw/zinc/14/21/34/369142134.db2.gz UGVKJQXSYGBKOB-LQDVMPOASA-N 1 0 289.379 3.188 10 5 CGBERO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111830434 370408238 /nfs/dbraw/zinc/40/82/38/370408238.db2.gz ZJMUSHNVSMSZJH-SECBINFHSA-N 1 0 271.748 3.034 10 5 CGBERO C[C@@H](CCC[NH3+])Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000310862769 374226869 /nfs/dbraw/zinc/22/68/69/374226869.db2.gz QSPAOVHGIKRTTG-ZETCQYMHSA-N 1 0 292.166 3.441 10 5 CGBERO CC[n+]1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1 ZINC000226777760 376372563 /nfs/dbraw/zinc/37/25/63/376372563.db2.gz AKDILMGSFOVYGX-UHFFFAOYSA-N 1 0 284.295 3.019 10 5 CGBERO CC[C@@H]([NH2+][C@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720486 392711218 /nfs/dbraw/zinc/71/12/18/392711218.db2.gz ACFOKKVAIVTZHP-MEBBXXQBSA-N 1 0 288.351 3.428 10 5 CGBERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000038004723 173966716 /nfs/dbraw/zinc/96/67/16/173966716.db2.gz IHHYZAQPPCDZRW-WCQYABFASA-N 1 0 250.342 3.162 10 5 CGBERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000038080591 174089926 /nfs/dbraw/zinc/08/99/26/174089926.db2.gz BJNDCPHMQXXELQ-SNVBAGLBSA-N 1 0 258.277 3.407 10 5 CGBERO C[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000044368448 175168049 /nfs/dbraw/zinc/16/80/49/175168049.db2.gz INUNCXQPSXDAGL-SNVBAGLBSA-N 1 0 283.759 3.144 10 5 CGBERO C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725271883 544115401 /nfs/dbraw/zinc/11/54/01/544115401.db2.gz VPIARHCEBBKVRO-BXUZGUMPSA-N 1 0 260.337 3.314 10 5 CGBERO CCC[C@H](CC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726558 521080922 /nfs/dbraw/zinc/08/09/22/521080922.db2.gz BDERZYJXKZCGDX-ZDUSSCGKSA-N 1 0 250.342 3.306 10 5 CGBERO C[NH2+][C@H](C)[C@@H](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000061686645 522445621 /nfs/dbraw/zinc/44/56/21/522445621.db2.gz XXJVFXXHDPBEKV-OCCSQVGLSA-N 1 0 264.369 3.326 10 5 CGBERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050791620 523270118 /nfs/dbraw/zinc/27/01/18/523270118.db2.gz PGGJMODLDKUKIA-GFCCVEGCSA-N 1 0 263.341 3.011 10 5 CGBERO O=[N+]([O-])c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000050470254 527372811 /nfs/dbraw/zinc/37/28/11/527372811.db2.gz SOJNIGLESZKRIH-JTQLQIEISA-N 1 0 284.743 3.159 10 5 CGBERO C[NH+]1CCN(c2nccc3c4ccccc4ccc32)CC1 ZINC000013797060 368667709 /nfs/dbraw/zinc/66/77/09/368667709.db2.gz XFIBZHYFLKWOJP-UHFFFAOYSA-N 1 0 277.371 3.140 10 5 CGBERO C[C@@H](CCC[NH3+])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000336838250 376000248 /nfs/dbraw/zinc/00/02/48/376000248.db2.gz MTVXQXIUKFCGBS-QMMMGPOBSA-N 1 0 291.273 3.153 10 5 CGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246974376 377129525 /nfs/dbraw/zinc/12/95/25/377129525.db2.gz XXNVYSGBWSXXCU-XPKDYRNWSA-N 1 0 290.363 3.157 10 5 CGBERO [NH3+]Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575380061 377891744 /nfs/dbraw/zinc/89/17/44/377891744.db2.gz QVBMDDIPKHRGLB-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000154918769 392538427 /nfs/dbraw/zinc/53/84/27/392538427.db2.gz RQHMZSUAWLUUOU-ZDUSSCGKSA-N 1 0 289.379 3.048 10 5 CGBERO C[C@H]([NH3+])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038080219 174090047 /nfs/dbraw/zinc/09/00/47/174090047.db2.gz QSSOGPUXPHHCPM-JTQLQIEISA-N 1 0 258.277 3.407 10 5 CGBERO C[C@H]([NH3+])c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000038080403 174090112 /nfs/dbraw/zinc/09/01/12/174090112.db2.gz YPORQUPYNSVISO-JTQLQIEISA-N 1 0 258.277 3.407 10 5 CGBERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037166528 270028819 /nfs/dbraw/zinc/02/88/19/270028819.db2.gz NYINIRSFTHKJPS-ZFWWWQNUSA-N 1 0 293.411 3.222 10 5 CGBERO CCC[NH2+][C@H](C)CCCc1ccccc1[N+](=O)[O-] ZINC000062726846 520062305 /nfs/dbraw/zinc/06/23/05/520062305.db2.gz HSAWJSHEUUGDRS-GFCCVEGCSA-N 1 0 250.342 3.306 10 5 CGBERO CC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1[N+](=O)[O-] ZINC000062726908 520214671 /nfs/dbraw/zinc/21/46/71/520214671.db2.gz ZKVYBYNAEYNPHO-OCCSQVGLSA-N 1 0 262.353 3.306 10 5 CGBERO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])o2)s1 ZINC000049160505 525928764 /nfs/dbraw/zinc/92/87/64/525928764.db2.gz PZDFINLCKLAFMF-VIFPVBQESA-N 1 0 266.322 3.409 10 5 CGBERO O=[N+]([O-])c1ccc(OCCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000052765167 527371749 /nfs/dbraw/zinc/37/17/49/527371749.db2.gz SPCKSFRHQZMHLU-SNVBAGLBSA-N 1 0 284.743 3.159 10 5 CGBERO COc1cccc(OCC[N+](C)(C)C2CCCC2)c1 ZINC000129924294 717150586 /nfs/dbraw/zinc/15/05/86/717150586.db2.gz GSWQMAKRMSWKPB-UHFFFAOYSA-N 1 0 264.389 3.093 10 5 CGBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000320209000 346488907 /nfs/dbraw/zinc/48/89/07/346488907.db2.gz FKAMQSIONVNDQL-SFYZADRCSA-N 1 0 291.273 3.151 10 5 CGBERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247190166 138543994 /nfs/dbraw/zinc/54/39/94/138543994.db2.gz VSQBVUCOZFZMDU-KGLIPLIRSA-N 1 0 291.395 3.038 10 5 CGBERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000040502590 369157758 /nfs/dbraw/zinc/15/77/58/369157758.db2.gz RUKCEQSBILAEPQ-GDBMZVCRSA-N 1 0 291.395 3.120 10 5 CGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246974346 377129207 /nfs/dbraw/zinc/12/92/07/377129207.db2.gz XXNVYSGBWSXXCU-INWMFGNUSA-N 1 0 290.363 3.157 10 5 CGBERO Cc1cc(N[C@@H]2CCO[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228486632 393019153 /nfs/dbraw/zinc/01/91/53/393019153.db2.gz BVXWKQLFIUGQDL-ZWNOBZJWSA-N 1 0 287.319 3.041 10 5 CGBERO CCc1ccc([C@@H]([NH2+]C)c2ccc([N+](=O)[O-])o2)s1 ZINC000035460495 172209137 /nfs/dbraw/zinc/20/91/37/172209137.db2.gz JFZVWNJRQQISKJ-LBPRGKRZSA-N 1 0 266.322 3.121 10 5 CGBERO CCC[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035581071 172277494 /nfs/dbraw/zinc/27/74/94/172277494.db2.gz UCUAPDHVXHOSPZ-GFCCVEGCSA-N 1 0 266.322 3.338 10 5 CGBERO CCC(CC)[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000037187052 173017292 /nfs/dbraw/zinc/01/72/92/173017292.db2.gz DBGDHAIWCTYSEV-UHFFFAOYSA-N 1 0 258.268 3.151 10 5 CGBERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037312505 173115150 /nfs/dbraw/zinc/11/51/50/173115150.db2.gz OHBSGFIICHOYJE-UHFFFAOYSA-N 1 0 254.330 3.492 10 5 CGBERO C[NH2+]CCC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000123111766 277266240 /nfs/dbraw/zinc/26/62/40/277266240.db2.gz CTRCAEKPGJBZLX-UHFFFAOYSA-N 1 0 297.786 3.074 10 5 CGBERO C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000125194574 187174367 /nfs/dbraw/zinc/17/43/67/187174367.db2.gz RMTBUSJISMIWEB-VHSXEESVSA-N 1 0 283.759 3.048 10 5 CGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000301764147 201182030 /nfs/dbraw/zinc/18/20/30/201182030.db2.gz FMDVJVVRXHAJOP-OAHLLOKOSA-N 1 0 277.368 3.127 10 5 CGBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000336837235 376000259 /nfs/dbraw/zinc/00/02/59/376000259.db2.gz LRHKHGJEWIFGTI-MRVPVSSYSA-N 1 0 291.273 3.153 10 5 CGBERO C[C@H](C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000010315607 170404082 /nfs/dbraw/zinc/40/40/82/170404082.db2.gz MPCPFWGBUOWUQD-CQSZACIVSA-N 1 0 299.374 3.400 10 5 CGBERO CCCCOc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)C ZINC000035414754 172188952 /nfs/dbraw/zinc/18/89/52/172188952.db2.gz BGPZEKOVUVPFTO-UHFFFAOYSA-N 1 0 266.341 3.272 10 5 CGBERO CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC1 ZINC000035414794 172189104 /nfs/dbraw/zinc/18/91/04/172189104.db2.gz GKQGWIYAMVJCOE-JTQLQIEISA-N 1 0 264.325 3.024 10 5 CGBERO CC[C@@H](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)[NH2+]C ZINC000038004496 173966791 /nfs/dbraw/zinc/96/67/91/173966791.db2.gz CGVCABUVIQREEQ-RYUDHWBXSA-N 1 0 250.342 3.080 10 5 CGBERO Cc1cc(NC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000038029403 174020393 /nfs/dbraw/zinc/02/03/93/174020393.db2.gz MRIZDZROSCREGY-ZDUSSCGKSA-N 1 0 277.368 3.190 10 5 CGBERO C[C@@H]([NH3+])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038080220 174089894 /nfs/dbraw/zinc/08/98/94/174089894.db2.gz QSSOGPUXPHHCPM-SNVBAGLBSA-N 1 0 258.277 3.407 10 5 CGBERO [NH3+][C@@H]1C[C@]12CC=C(c1cc([N+](=O)[O-])ccc1F)CC2 ZINC000725265278 544113894 /nfs/dbraw/zinc/11/38/94/544113894.db2.gz WDSMSHBDRPXRBC-ZIAGYGMSSA-N 1 0 262.284 3.019 10 5 CGBERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037166600 270028903 /nfs/dbraw/zinc/02/89/03/270028903.db2.gz XSVJXAZJDLJTRE-HIFRSBDPSA-N 1 0 293.411 3.222 10 5 CGBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000387434530 336193844 /nfs/dbraw/zinc/19/38/44/336193844.db2.gz JBMTUTMKKVPKSU-MRVPVSSYSA-N 1 0 291.273 3.024 10 5 CGBERO CCCCC[N@H+](C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050813344 520152068 /nfs/dbraw/zinc/15/20/68/520152068.db2.gz BPOJGUBNQSZFSF-UHFFFAOYSA-N 1 0 265.357 3.259 10 5 CGBERO O=[N+]([O-])c1ccccc1CC[NH2+]CCc1cccs1 ZINC000062726194 527398907 /nfs/dbraw/zinc/39/89/07/527398907.db2.gz ZFWFJKWWDQELJN-UHFFFAOYSA-N 1 0 276.361 3.031 10 5 CGBERO C[C@H]([C@@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1 ZINC000000163984 368306531 /nfs/dbraw/zinc/30/65/31/368306531.db2.gz GEBWLJOOGXIBCH-CRAIPNDOSA-N 1 0 270.396 3.385 10 5 CGBERO C[C@@H](C[NH+]1CCCCC1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120386 369464461 /nfs/dbraw/zinc/46/44/61/369464461.db2.gz AWEVGCILZBNWMG-NSHDSACASA-N 1 0 281.331 3.020 10 5 CGBERO [NH3+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379261 377891509 /nfs/dbraw/zinc/89/15/09/377891509.db2.gz BKUNJTXYCDLRGL-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO C[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1cc(C)sc1C ZINC000035497379 172230649 /nfs/dbraw/zinc/23/06/49/172230649.db2.gz NZALRNNYHSYIES-GFCCVEGCSA-N 1 0 266.322 3.175 10 5 CGBERO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000038028202 279348370 /nfs/dbraw/zinc/34/83/70/279348370.db2.gz QAFFDUCADFYPLI-KGLIPLIRSA-N 1 0 291.395 3.120 10 5 CGBERO CC(C)CC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061003093 519663482 /nfs/dbraw/zinc/66/34/82/519663482.db2.gz SWYVVZUPFOPGOF-UHFFFAOYSA-N 1 0 256.733 3.384 10 5 CGBERO CC(C)[C@H](CCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000062726982 519814034 /nfs/dbraw/zinc/81/40/34/519814034.db2.gz ONJHHHJXAWYUIH-AAEUAGOBSA-N 1 0 250.342 3.147 10 5 CGBERO C[NH+]1CCC(Sc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000039091828 344957825 /nfs/dbraw/zinc/95/78/25/344957825.db2.gz ZWEXPLIBCFOGHA-UHFFFAOYSA-N 1 0 286.784 3.435 10 5 CGBERO CC[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459704 287065879 /nfs/dbraw/zinc/06/58/79/287065879.db2.gz IPLQPNUYBFOYMV-OCCSQVGLSA-N 1 0 262.353 3.306 10 5 CGBERO CCC[NH2+][C@H](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000037948832 173889241 /nfs/dbraw/zinc/88/92/41/173889241.db2.gz MCYWEHRRSJLVHW-CYBMUJFWSA-N 1 0 250.342 3.306 10 5 CGBERO CC(C)[C@@H](CCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000062726981 519793206 /nfs/dbraw/zinc/79/32/06/519793206.db2.gz ONJHHHJXAWYUIH-WCQYABFASA-N 1 0 250.342 3.147 10 5 CGBERO C[C@]1([N+](=O)[O-])C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000225917839 346305562 /nfs/dbraw/zinc/30/55/62/346305562.db2.gz OOHMHLYZBOQMSV-MSOLQXFVSA-N 1 0 296.370 3.321 10 5 CGBERO C[NH+](C)CCN=c1c2ccccc2ccc2ccccc21 ZINC000027078477 368868194 /nfs/dbraw/zinc/86/81/94/368868194.db2.gz XMWUMXZFPJNLQO-UHFFFAOYSA-N 1 0 276.383 3.455 10 5 CGBERO Cc1cc(N[C@H]2CCO[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228486611 393018693 /nfs/dbraw/zinc/01/86/93/393018693.db2.gz BVXWKQLFIUGQDL-GWCFXTLKSA-N 1 0 287.319 3.041 10 5 CGBERO C[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1cc(C)sc1C ZINC000035497378 172230860 /nfs/dbraw/zinc/23/08/60/172230860.db2.gz NZALRNNYHSYIES-LBPRGKRZSA-N 1 0 266.322 3.175 10 5 CGBERO O=[N+]([O-])c1cc(C[NH2+]C2CCCCC2)c(F)cc1F ZINC000037186003 173017264 /nfs/dbraw/zinc/01/72/64/173017264.db2.gz GQDZRLXWZISQGC-UHFFFAOYSA-N 1 0 270.279 3.295 10 5 CGBERO CCC[NH2+][C@@H](C)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000038001089 173963891 /nfs/dbraw/zinc/96/38/91/173963891.db2.gz PSRFJZFUMVGQDH-JTQLQIEISA-N 1 0 254.305 3.055 10 5 CGBERO C[C@H]([NH3+])c1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080213 174089786 /nfs/dbraw/zinc/08/97/86/174089786.db2.gz HLOQXGABCXDDCK-JTQLQIEISA-N 1 0 258.277 3.407 10 5 CGBERO CCCC[C@@H](C[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000160673977 521049205 /nfs/dbraw/zinc/04/92/05/521049205.db2.gz NVAIQATWZJRKIO-NSHDSACASA-N 1 0 288.351 3.072 10 5 CGBERO C[N+](C)(C)Cc1ccccc1OC(=O)c1ccccc1 ZINC000001998253 368443915 /nfs/dbraw/zinc/44/39/15/368443915.db2.gz LQKSXMVTVDXJAC-UHFFFAOYSA-N 1 0 270.352 3.112 10 5 CGBERO CCCn1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000091013134 165249079 /nfs/dbraw/zinc/24/90/79/165249079.db2.gz SPFSETQGMGUJFG-UHFFFAOYSA-N 1 0 273.336 3.096 10 5 CGBERO C=COCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020197769 171061837 /nfs/dbraw/zinc/06/18/37/171061837.db2.gz FRDJLOJODXPXBY-GFCCVEGCSA-N 1 0 264.325 3.104 10 5 CGBERO Cc1ccc([N+](=O)[O-])c(Oc2cccc(C[NH3+])c2)c1 ZINC000034002968 171828708 /nfs/dbraw/zinc/82/87/08/171828708.db2.gz SSKADNBBIMXCBJ-UHFFFAOYSA-N 1 0 258.277 3.154 10 5 CGBERO NC(=[NH2+])c1ccc(Sc2ccccc2[N+](=O)[O-])cc1 ZINC000035286769 172105341 /nfs/dbraw/zinc/10/53/41/172105341.db2.gz WCAVVEQWMHZFTD-UHFFFAOYSA-N 1 0 273.317 3.030 10 5 CGBERO C[C@@H]([NH3+])c1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080214 174090198 /nfs/dbraw/zinc/09/01/98/174090198.db2.gz HLOQXGABCXDDCK-SNVBAGLBSA-N 1 0 258.277 3.407 10 5 CGBERO CCC[C@H]([NH2+]C1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000230675455 623259595 /nfs/dbraw/zinc/25/95/95/623259595.db2.gz VNKQWIQVINKNAT-ZALBZXLWSA-N 1 0 278.352 3.203 10 5 CGBERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000591427464 346922520 /nfs/dbraw/zinc/92/25/20/346922520.db2.gz QQFKIBRGMLRWQI-UHFFFAOYSA-N 1 0 271.748 3.048 10 5 CGBERO C[NH+](C)Cc1cc2ccccc2c(=O)c2ccccc21 ZINC000048524615 345067439 /nfs/dbraw/zinc/06/74/39/345067439.db2.gz XYRXBRPNYLZXOO-UHFFFAOYSA-N 1 0 263.340 3.415 10 5 CGBERO [NH3+][C@H](CSc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000104306152 185961841 /nfs/dbraw/zinc/96/18/41/185961841.db2.gz AZXCASSSBZKBOO-GFCCVEGCSA-N 1 0 274.345 3.387 10 5 CGBERO [NH3+][C@H](CC(F)F)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000575437394 393199191 /nfs/dbraw/zinc/19/91/91/393199191.db2.gz DQWJDBLQEQWERY-SSDOTTSWSA-N 1 0 295.083 3.012 10 5 CGBERO CC(C)(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000035257234 172087962 /nfs/dbraw/zinc/08/79/62/172087962.db2.gz LQZRCBJZKNMEBQ-UHFFFAOYSA-N 1 0 287.157 3.245 10 5 CGBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+]1CCCCC1 ZINC000038029393 174019805 /nfs/dbraw/zinc/01/98/05/174019805.db2.gz MIOJTAWQAKDYKE-ZDUSSCGKSA-N 1 0 277.368 3.190 10 5 CGBERO Cc1ccc(NC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000038029397 174020284 /nfs/dbraw/zinc/02/02/84/174020284.db2.gz AWDWRBVENXNKJF-ZDUSSCGKSA-N 1 0 277.368 3.190 10 5 CGBERO CC[N+](CC)(CC)CC(F)(F)[C@H](F)C(F)(F)F ZINC000098210538 185700011 /nfs/dbraw/zinc/70/00/11/185700011.db2.gz YWJHIAVBVBUEHY-QMMMGPOBSA-N 1 0 266.249 3.399 10 5 CGBERO CC[C@@H]([NH2+][C@@H]1CO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000594933709 347233195 /nfs/dbraw/zinc/23/31/95/347233195.db2.gz AVFLVQWQMJMSAA-NWANDNLSSA-N 1 0 278.352 3.203 10 5 CGBERO C[N@@H+]1CCc2c(-c3ccccc3)ccc([N+](=O)[O-])c2C1 ZINC000022006501 368811286 /nfs/dbraw/zinc/81/12/86/368811286.db2.gz HLDKLTPAILFOHD-UHFFFAOYSA-N 1 0 268.316 3.250 10 5 CGBERO C[C@@H]1C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335576 370471110 /nfs/dbraw/zinc/47/11/10/370471110.db2.gz YUCNIVJOQFQSBF-RNCFNFMXSA-N 1 0 289.360 3.216 10 5 CGBERO Cc1ncsc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926212 527517749 /nfs/dbraw/zinc/51/77/49/527517749.db2.gz RHTRBMKIACULBS-SECBINFHSA-N 1 0 277.349 3.211 10 5 CGBERO C[C@H](CCCC[NH3+])Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000310848454 618874027 /nfs/dbraw/zinc/87/40/27/618874027.db2.gz IRIXQFIWZCNROU-SECBINFHSA-N 1 0 271.748 3.178 10 5 CGBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000320239230 346488497 /nfs/dbraw/zinc/48/84/97/346488497.db2.gz IGNRJTDZEDQKGA-HTQZYQBOSA-N 1 0 291.273 3.151 10 5 CGBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000320239237 346488726 /nfs/dbraw/zinc/48/87/26/346488726.db2.gz IGNRJTDZEDQKGA-YUMQZZPRSA-N 1 0 291.273 3.151 10 5 CGBERO [NH3+]Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(F)(F)F ZINC000514264559 346636292 /nfs/dbraw/zinc/63/62/92/346636292.db2.gz IBWZFPWWXKZKFL-UHFFFAOYSA-N 1 0 288.147 3.091 10 5 CGBERO Cc1ccc(NCc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000097829942 138348829 /nfs/dbraw/zinc/34/88/29/138348829.db2.gz PICCJDXDVVGTFN-UHFFFAOYSA-N 1 0 283.331 3.119 10 5 CGBERO C[C@@H]1C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335580 370471899 /nfs/dbraw/zinc/47/18/99/370471899.db2.gz YUCNIVJOQFQSBF-NOZJJQNGSA-N 1 0 289.360 3.216 10 5 CGBERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000133031038 371222175 /nfs/dbraw/zinc/22/21/75/371222175.db2.gz VSQBVUCOZFZMDU-UONOGXRCSA-N 1 0 291.395 3.038 10 5 CGBERO Cc1cc(N[C@@H]2C[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484616 393018544 /nfs/dbraw/zinc/01/85/44/393018544.db2.gz UXVGZEVUGTVVJA-ISVAXAHUSA-N 1 0 257.293 3.272 10 5 CGBERO C[NH+](C)CCNC(=O)c1cccc2cc3ccccc3cc21 ZINC000005957839 170162953 /nfs/dbraw/zinc/16/29/53/170162953.db2.gz LXGUWGAZTOPWGR-UHFFFAOYSA-N 1 0 292.382 3.284 10 5 CGBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC=CCC2)ccc1Cl ZINC000076771350 177086762 /nfs/dbraw/zinc/08/67/62/177086762.db2.gz GILMMOKQWWKBCC-NSHDSACASA-N 1 0 266.728 3.447 10 5 CGBERO CC(C)(C)[NH2+]CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051625565 518759073 /nfs/dbraw/zinc/75/90/73/518759073.db2.gz BODNUINLNBJNDC-UHFFFAOYSA-N 1 0 272.732 3.015 10 5 CGBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000160666985 521048499 /nfs/dbraw/zinc/04/84/99/521048499.db2.gz IFTGPKSAAVZBRW-NSHDSACASA-N 1 0 288.351 3.072 10 5 CGBERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000040502592 369158418 /nfs/dbraw/zinc/15/84/18/369158418.db2.gz RUKCEQSBILAEPQ-GOEBONIOSA-N 1 0 291.395 3.120 10 5 CGBERO CC(C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368259 172159560 /nfs/dbraw/zinc/15/95/60/172159560.db2.gz OVMXBEDWSNHVHM-VIFPVBQESA-N 1 0 256.733 3.382 10 5 CGBERO Cc1ccc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000038019323 173995624 /nfs/dbraw/zinc/99/56/24/173995624.db2.gz LYAFDVVJZBXOSN-AGUYFDCRSA-N 1 0 289.379 3.188 10 5 CGBERO C[C@]1([NH3+])CC=C(c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000725272145 544115450 /nfs/dbraw/zinc/11/54/50/544115450.db2.gz HWRJLGOQJMCRQD-ZDUSSCGKSA-N 1 0 250.273 3.019 10 5 CGBERO