smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000596360092 469249708 /nfs/dbraw/zinc/24/97/08/469249708.db2.gz HGAZYKVNCDOJBV-NSHDSACASA-N 2 1 327.404 2.000 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000596360092 469249711 /nfs/dbraw/zinc/24/97/11/469249711.db2.gz HGAZYKVNCDOJBV-NSHDSACASA-N 2 1 327.404 2.000 10 5 EEBEMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411873742 466922794 /nfs/dbraw/zinc/92/27/94/466922794.db2.gz NDHDAPXTRUKVDA-UHFFFAOYSA-N 2 1 334.420 2.387 10 5 EEBEMP CC(C)C[N@@H+](C)CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593646760 469077905 /nfs/dbraw/zinc/07/79/05/469077905.db2.gz REXXIYNSUVAOKD-UHFFFAOYSA-N 2 1 337.420 2.434 10 5 EEBEMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000923390179 789476269 /nfs/dbraw/zinc/47/62/69/789476269.db2.gz UGWNSKMHIDHNHR-AEFFLSMTSA-N 2 1 333.432 2.340 10 5 EEBEMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000925803892 1206155430 /nfs/dbraw/zinc/15/54/30/1206155430.db2.gz XIMVFPQRTZJICR-UNEWFSDZSA-N 2 1 343.431 2.253 10 5 EEBEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246332506 160274593 /nfs/dbraw/zinc/27/45/93/160274593.db2.gz SWKRWXFGQZKWMC-IAGOWNOFSA-N 2 1 330.388 2.298 10 5 EEBEMP C[N@H+]1C[C@@]23CN(C[C@H](O)c4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001177009108 798693266 /nfs/dbraw/zinc/69/32/66/798693266.db2.gz XPAUUVDLKBUVOD-GBESFXJTSA-N 2 1 345.443 2.436 10 5 EEBEMP C[N@@H+]1C[C@]23C[NH+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009108 798693272 /nfs/dbraw/zinc/69/32/72/798693272.db2.gz XPAUUVDLKBUVOD-GBESFXJTSA-N 2 1 345.443 2.436 10 5 EEBEMP C[N@H+]1C[C@]23C[NH+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009108 798693275 /nfs/dbraw/zinc/69/32/75/798693275.db2.gz XPAUUVDLKBUVOD-GBESFXJTSA-N 2 1 345.443 2.436 10 5 EEBEMP C[NH+]1C[C@]23C[N@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009108 798693279 /nfs/dbraw/zinc/69/32/79/798693279.db2.gz XPAUUVDLKBUVOD-GBESFXJTSA-N 2 1 345.443 2.436 10 5 EEBEMP C[NH+]1C[C@]23C[N@@H+](C[C@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009108 798693283 /nfs/dbraw/zinc/69/32/83/798693283.db2.gz XPAUUVDLKBUVOD-GBESFXJTSA-N 2 1 345.443 2.436 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596359701 469249916 /nfs/dbraw/zinc/24/99/16/469249916.db2.gz DRLDZQHBDYFYQR-ZDUSSCGKSA-N 2 1 335.452 2.247 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596359701 469249920 /nfs/dbraw/zinc/24/99/20/469249920.db2.gz DRLDZQHBDYFYQR-ZDUSSCGKSA-N 2 1 335.452 2.247 10 5 EEBEMP O=[N+]([O-])c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000600763686 468651287 /nfs/dbraw/zinc/65/12/87/468651287.db2.gz GQMVOSMNYPLKNN-AWEZNQCLSA-N 2 1 325.434 2.247 10 5 EEBEMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000592527795 468721795 /nfs/dbraw/zinc/72/17/95/468721795.db2.gz QKYDHPBGXFZSHB-XQRVVYSFSA-N 2 1 331.416 2.405 10 5 EEBEMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000592527795 468721800 /nfs/dbraw/zinc/72/18/00/468721800.db2.gz QKYDHPBGXFZSHB-XQRVVYSFSA-N 2 1 331.416 2.405 10 5 EEBEMP Cn1ccnc1[C@H]([NH2+]CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272558440 274175907 /nfs/dbraw/zinc/17/59/07/274175907.db2.gz SSXHEJFUYFLLOP-MRXNPFEDSA-N 2 1 331.420 2.349 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000576943671 320218268 /nfs/dbraw/zinc/21/82/68/320218268.db2.gz QLBAXULRUDYSTD-KRWDZBQOSA-N 2 1 335.404 2.058 10 5 EEBEMP COc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000576943671 320218270 /nfs/dbraw/zinc/21/82/70/320218270.db2.gz QLBAXULRUDYSTD-KRWDZBQOSA-N 2 1 335.404 2.058 10 5 EEBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593731217 469112556 /nfs/dbraw/zinc/11/25/56/469112556.db2.gz UQEGUABIWUXKBT-KYJSFNMBSA-N 2 1 349.431 2.464 10 5 EEBEMP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509323 468612869 /nfs/dbraw/zinc/61/28/69/468612869.db2.gz HMTGYGPINMXJMT-XOKHGSTOSA-N 2 1 343.431 2.348 10 5 EEBEMP O=[N+]([O-])c1c(NC[C@H]2CCC[N@@H+]2CCCO)ccc2cnccc21 ZINC000599086318 469113291 /nfs/dbraw/zinc/11/32/91/469113291.db2.gz JKQBMKBXYFUBSB-CQSZACIVSA-N 2 1 330.388 2.402 10 5 EEBEMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000925803891 777100095 /nfs/dbraw/zinc/10/00/95/777100095.db2.gz XIMVFPQRTZJICR-FRFSOERESA-N 2 1 343.431 2.253 10 5 EEBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385710 467389228 /nfs/dbraw/zinc/38/92/28/467389228.db2.gz UELCJNBUSMVVOR-MLGOLLRUSA-N 2 1 330.392 2.043 10 5 EEBEMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245924489 243171236 /nfs/dbraw/zinc/17/12/36/243171236.db2.gz NXGVHYGBCQCVSC-QAPCUYQASA-N 2 1 332.448 2.368 10 5 EEBEMP CN1CCN([C@H]2CCCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174898193 464466747 /nfs/dbraw/zinc/46/67/47/464466747.db2.gz SRSBJNUAMCBAER-IBGZPJMESA-N 2 1 346.475 2.239 10 5 EEBEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174898193 464466752 /nfs/dbraw/zinc/46/67/52/464466752.db2.gz SRSBJNUAMCBAER-IBGZPJMESA-N 2 1 346.475 2.239 10 5 EEBEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174898193 464466755 /nfs/dbraw/zinc/46/67/55/464466755.db2.gz SRSBJNUAMCBAER-IBGZPJMESA-N 2 1 346.475 2.239 10 5 EEBEMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000952993407 796139566 /nfs/dbraw/zinc/13/95/66/796139566.db2.gz GWJIZOUWTRBGDN-GOSISDBHSA-N 2 1 347.459 2.164 10 5 EEBEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000411322885 466806783 /nfs/dbraw/zinc/80/67/83/466806783.db2.gz DHMJSMQPAFRPAF-XJKSGUPXSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000411322885 466806787 /nfs/dbraw/zinc/80/67/87/466806787.db2.gz DHMJSMQPAFRPAF-XJKSGUPXSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322885 466806792 /nfs/dbraw/zinc/80/67/92/466806792.db2.gz DHMJSMQPAFRPAF-XJKSGUPXSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322885 466806796 /nfs/dbraw/zinc/80/67/96/466806796.db2.gz DHMJSMQPAFRPAF-XJKSGUPXSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596361137 469250038 /nfs/dbraw/zinc/25/00/38/469250038.db2.gz PTUYXCSKPFFQKM-NSHDSACASA-N 2 1 329.832 2.327 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596361137 469250044 /nfs/dbraw/zinc/25/00/44/469250044.db2.gz PTUYXCSKPFFQKM-NSHDSACASA-N 2 1 329.832 2.327 10 5 EEBEMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480979031 1179414214 /nfs/dbraw/zinc/41/42/14/1179414214.db2.gz TVDWRSOJUXKEFD-UHFFFAOYSA-N 2 1 348.447 2.017 10 5 EEBEMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903486856 1240627422 /nfs/dbraw/zinc/62/74/22/1240627422.db2.gz YOUSVESNIJFVPP-OAHLLOKOSA-N 2 1 332.404 2.188 10 5 EEBEMP Cc1c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000903510955 1240741545 /nfs/dbraw/zinc/74/15/45/1240741545.db2.gz VMBXWUUVGMTKOI-HDICACEKSA-N 2 1 344.459 2.304 10 5 EEBEMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280544563 1324288160 /nfs/dbraw/zinc/28/81/60/1324288160.db2.gz BPXZDDRPHFSXTE-UHFFFAOYSA-N 2 1 348.447 2.064 10 5 EEBEMP Cc1c(NC(=O)[C@H](C)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001560056131 1342506422 /nfs/dbraw/zinc/50/64/22/1342506422.db2.gz YYNFWRALCGXBMF-ZNMIVQPWSA-N 2 1 346.431 2.114 10 5 EEBEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000554550757 468419463 /nfs/dbraw/zinc/41/94/63/468419463.db2.gz NYOAWSZLJZMPKW-UHFFFAOYSA-N 2 1 346.475 2.369 10 5 EEBEMP O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000594973042 468734762 /nfs/dbraw/zinc/73/47/62/468734762.db2.gz BYDNQUGJOIMVOD-IBGZPJMESA-N 2 1 341.411 2.451 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596425188 469262126 /nfs/dbraw/zinc/26/21/26/469262126.db2.gz OSPCJSXPCVPLHF-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596425188 469262132 /nfs/dbraw/zinc/26/21/32/469262132.db2.gz OSPCJSXPCVPLHF-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP Cc1c(NC(=O)CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000600750429 468648337 /nfs/dbraw/zinc/64/83/37/468648337.db2.gz WHBIFKOJTOWDDB-HDICACEKSA-N 2 1 346.431 2.163 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000600750429 468648340 /nfs/dbraw/zinc/64/83/40/468648340.db2.gz WHBIFKOJTOWDDB-HDICACEKSA-N 2 1 346.431 2.163 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333491 468829497 /nfs/dbraw/zinc/82/94/97/468829497.db2.gz DVXOXDVHXVAQFC-RHSMWYFYSA-N 2 1 346.431 2.306 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333491 468829502 /nfs/dbraw/zinc/82/95/02/468829502.db2.gz DVXOXDVHXVAQFC-RHSMWYFYSA-N 2 1 346.431 2.306 10 5 EEBEMP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272558437 274175801 /nfs/dbraw/zinc/17/58/01/274175801.db2.gz SSXHEJFUYFLLOP-INIZCTEOSA-N 2 1 331.420 2.349 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292218826 275395905 /nfs/dbraw/zinc/39/59/05/275395905.db2.gz UWHZYKLKPXWXGQ-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292218826 275395908 /nfs/dbraw/zinc/39/59/08/275395908.db2.gz UWHZYKLKPXWXGQ-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP COc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000414887070 313106765 /nfs/dbraw/zinc/10/67/65/313106765.db2.gz WQSXBFLVAQKZFU-UHFFFAOYSA-N 2 1 330.388 2.268 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359534 467377075 /nfs/dbraw/zinc/37/70/75/467377075.db2.gz FUNGXCUWCUUAPN-SFHVURJKSA-N 2 1 346.431 2.307 10 5 EEBEMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058091 467478568 /nfs/dbraw/zinc/47/85/68/467478568.db2.gz SICSGNIDXSCZJB-HYXAFXHYSA-N 2 1 344.459 2.414 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478949 468706823 /nfs/dbraw/zinc/70/68/23/468706823.db2.gz MSDSRHJZIZSIJC-HOCLYGCPSA-N 2 1 349.431 2.446 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478949 468706825 /nfs/dbraw/zinc/70/68/25/468706825.db2.gz MSDSRHJZIZSIJC-HOCLYGCPSA-N 2 1 349.431 2.446 10 5 EEBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593729431 469112735 /nfs/dbraw/zinc/11/27/35/469112735.db2.gz DTDMKFAERVPWJQ-JLSDUUJJSA-N 2 1 349.431 2.334 10 5 EEBEMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000601969862 469118446 /nfs/dbraw/zinc/11/84/46/469118446.db2.gz FUZHJMTWYXLLOQ-CYBMUJFWSA-N 2 1 335.404 2.234 10 5 EEBEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000121099288 463078810 /nfs/dbraw/zinc/07/88/10/463078810.db2.gz KTJDZNFEMZKASF-HNNXBMFYSA-N 2 1 335.448 2.428 10 5 EEBEMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001196934541 1284345842 /nfs/dbraw/zinc/34/58/42/1284345842.db2.gz BJHGEEFQGFQCTN-INIZCTEOSA-N 2 1 335.452 2.378 10 5 EEBEMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001196934541 1284345849 /nfs/dbraw/zinc/34/58/49/1284345849.db2.gz BJHGEEFQGFQCTN-INIZCTEOSA-N 2 1 335.452 2.378 10 5 EEBEMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000923327745 789371087 /nfs/dbraw/zinc/37/10/87/789371087.db2.gz UXUAHFVGDFHLII-UYTSQGDYSA-N 2 1 345.447 2.397 10 5 EEBEMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000952993408 796139190 /nfs/dbraw/zinc/13/91/90/796139190.db2.gz GWJIZOUWTRBGDN-SFHVURJKSA-N 2 1 347.459 2.164 10 5 EEBEMP Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001560056130 1342506770 /nfs/dbraw/zinc/50/67/70/1342506770.db2.gz YYNFWRALCGXBMF-KFWWJZLASA-N 2 1 346.431 2.114 10 5 EEBEMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600677868 468618671 /nfs/dbraw/zinc/61/86/71/468618671.db2.gz CCPOVHSKIBXZRY-IUODEOHRSA-N 2 1 332.404 2.186 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484932 1240621597 /nfs/dbraw/zinc/62/15/97/1240621597.db2.gz GPCDTUSSTNCUQP-MRXNPFEDSA-N 2 1 346.431 2.496 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596359324 469250456 /nfs/dbraw/zinc/25/04/56/469250456.db2.gz ACVRXGGDMSFGAL-ZDUSSCGKSA-N 2 1 346.435 2.222 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596359324 469250459 /nfs/dbraw/zinc/25/04/59/469250459.db2.gz ACVRXGGDMSFGAL-ZDUSSCGKSA-N 2 1 346.435 2.222 10 5 EEBEMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000903978728 1242835054 /nfs/dbraw/zinc/83/50/54/1242835054.db2.gz VUNHNAMGWVEVTD-UKRRQHHQSA-N 2 1 343.431 2.412 10 5 EEBEMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+](CCO)C3CC3)CC2)cc1 ZINC000952994422 796141056 /nfs/dbraw/zinc/14/10/56/796141056.db2.gz PEUWYIFKNRZSBE-UHFFFAOYSA-N 2 1 347.459 2.306 10 5 EEBEMP Cc1[nH+]ccn1C[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178750090 463962378 /nfs/dbraw/zinc/96/23/78/463962378.db2.gz PEUOTWRXJREMQU-CQSZACIVSA-N 2 1 343.387 2.203 10 5 EEBEMP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069278 1198039687 /nfs/dbraw/zinc/03/96/87/1198039687.db2.gz OIGOUQANWABQIW-ZDUSSCGKSA-N 2 1 338.427 2.411 10 5 EEBEMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069278 1198039696 /nfs/dbraw/zinc/03/96/96/1198039696.db2.gz OIGOUQANWABQIW-ZDUSSCGKSA-N 2 1 338.427 2.411 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000576943672 320218410 /nfs/dbraw/zinc/21/84/10/320218410.db2.gz QLBAXULRUDYSTD-QGZVFWFLSA-N 2 1 335.404 2.058 10 5 EEBEMP COc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000576943672 320218412 /nfs/dbraw/zinc/21/84/12/320218412.db2.gz QLBAXULRUDYSTD-QGZVFWFLSA-N 2 1 335.404 2.058 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383340 467387391 /nfs/dbraw/zinc/38/73/91/467387391.db2.gz STEZQXRGUJRNPA-SFHVURJKSA-N 2 1 346.431 2.307 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333489 468829811 /nfs/dbraw/zinc/82/98/11/468829811.db2.gz DVXOXDVHXVAQFC-PBHICJAKSA-N 2 1 346.431 2.306 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333489 468829814 /nfs/dbraw/zinc/82/98/14/468829814.db2.gz DVXOXDVHXVAQFC-PBHICJAKSA-N 2 1 346.431 2.306 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000601335344 468830504 /nfs/dbraw/zinc/83/05/04/468830504.db2.gz SMYDLAKXNXHQQA-ZFWWWQNUSA-N 2 1 335.404 2.056 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000601335344 468830508 /nfs/dbraw/zinc/83/05/08/468830508.db2.gz SMYDLAKXNXHQQA-ZFWWWQNUSA-N 2 1 335.404 2.056 10 5 EEBEMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000601972746 469120131 /nfs/dbraw/zinc/12/01/31/469120131.db2.gz OHYDJDLFLRBCJH-CYBMUJFWSA-N 2 1 337.420 2.480 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596425675 469262732 /nfs/dbraw/zinc/26/27/32/469262732.db2.gz UNKONLALRKDRGU-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596425675 469262734 /nfs/dbraw/zinc/26/27/34/469262734.db2.gz UNKONLALRKDRGU-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000283173484 463791911 /nfs/dbraw/zinc/79/19/11/463791911.db2.gz DSESRZRTLQSZDI-KBPBESRZSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000283173484 463791915 /nfs/dbraw/zinc/79/19/15/463791915.db2.gz DSESRZRTLQSZDI-KBPBESRZSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173484 463791920 /nfs/dbraw/zinc/79/19/20/463791920.db2.gz DSESRZRTLQSZDI-KBPBESRZSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173484 463791924 /nfs/dbraw/zinc/79/19/24/463791924.db2.gz DSESRZRTLQSZDI-KBPBESRZSA-N 2 1 334.420 2.338 10 5 EEBEMP COc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525513 464276406 /nfs/dbraw/zinc/27/64/06/464276406.db2.gz UYBICOMAETYGAQ-UONOGXRCSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525513 464276410 /nfs/dbraw/zinc/27/64/10/464276410.db2.gz UYBICOMAETYGAQ-UONOGXRCSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525513 464276415 /nfs/dbraw/zinc/27/64/15/464276415.db2.gz UYBICOMAETYGAQ-UONOGXRCSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525513 464276420 /nfs/dbraw/zinc/27/64/20/464276420.db2.gz UYBICOMAETYGAQ-UONOGXRCSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000601335342 468830830 /nfs/dbraw/zinc/83/08/30/468830830.db2.gz SMYDLAKXNXHQQA-HIFRSBDPSA-N 2 1 335.404 2.056 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000601335342 468830833 /nfs/dbraw/zinc/83/08/33/468830833.db2.gz SMYDLAKXNXHQQA-HIFRSBDPSA-N 2 1 335.404 2.056 10 5 EEBEMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600767128 468652234 /nfs/dbraw/zinc/65/22/34/468652234.db2.gz QSYQQJJVYRBRHU-CQSZACIVSA-N 2 1 337.395 2.324 10 5 EEBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593729430 469112861 /nfs/dbraw/zinc/11/28/61/469112861.db2.gz DTDMKFAERVPWJQ-FHLIZLRMSA-N 2 1 349.431 2.334 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592478664 468706574 /nfs/dbraw/zinc/70/65/74/468706574.db2.gz HBKBIYQPDSGAND-YOEHRIQHSA-N 2 1 346.431 2.387 10 5 EEBEMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000592527794 468722275 /nfs/dbraw/zinc/72/22/75/468722275.db2.gz QKYDHPBGXFZSHB-GQCTYLIASA-N 2 1 331.416 2.405 10 5 EEBEMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000592527794 468722279 /nfs/dbraw/zinc/72/22/79/468722279.db2.gz QKYDHPBGXFZSHB-GQCTYLIASA-N 2 1 331.416 2.405 10 5 EEBEMP O=[N+]([O-])c1c(NC[C@@H]2CCC[N@@H+]2CCCO)ccc2cnccc21 ZINC000599086317 469113037 /nfs/dbraw/zinc/11/30/37/469113037.db2.gz JKQBMKBXYFUBSB-AWEZNQCLSA-N 2 1 330.388 2.402 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596425166 469262362 /nfs/dbraw/zinc/26/23/62/469262362.db2.gz NYBLOOFGJOFMMG-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596425166 469262366 /nfs/dbraw/zinc/26/23/66/469262366.db2.gz NYBLOOFGJOFMMG-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000872155582 1198061860 /nfs/dbraw/zinc/06/18/60/1198061860.db2.gz RHIKBLMFCYFLAQ-MRXNPFEDSA-N 2 1 334.420 2.151 10 5 EEBEMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000923327746 789371636 /nfs/dbraw/zinc/37/16/36/789371636.db2.gz UXUAHFVGDFHLII-WTXIUTQJSA-N 2 1 345.447 2.397 10 5 EEBEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751166 204291373 /nfs/dbraw/zinc/29/13/73/204291373.db2.gz JNYMQUIYBKWURL-LJQANCHMSA-N 2 1 346.475 2.239 10 5 EEBEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751166 204291379 /nfs/dbraw/zinc/29/13/79/204291379.db2.gz JNYMQUIYBKWURL-LJQANCHMSA-N 2 1 346.475 2.239 10 5 EEBEMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178750075 463962483 /nfs/dbraw/zinc/96/24/83/463962483.db2.gz PEUOTWRXJREMQU-AWEZNQCLSA-N 2 1 343.387 2.203 10 5 EEBEMP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863574253 1296340565 /nfs/dbraw/zinc/34/05/65/1296340565.db2.gz HEOUUBJLKXOFPM-INIZCTEOSA-N 2 1 337.395 2.324 10 5 EEBEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423499100 466759220 /nfs/dbraw/zinc/75/92/20/466759220.db2.gz ANIPWKQCMIESCG-OOHWJJMZSA-N 2 1 332.448 2.462 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478950 468706278 /nfs/dbraw/zinc/70/62/78/468706278.db2.gz MSDSRHJZIZSIJC-ZBFHGGJFSA-N 2 1 349.431 2.446 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478950 468706284 /nfs/dbraw/zinc/70/62/84/468706284.db2.gz MSDSRHJZIZSIJC-ZBFHGGJFSA-N 2 1 349.431 2.446 10 5 EEBEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174885479 464462836 /nfs/dbraw/zinc/46/28/36/464462836.db2.gz FSIYHMFTYJQXEO-GOSISDBHSA-N 2 1 332.448 2.197 10 5 EEBEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174885479 464462841 /nfs/dbraw/zinc/46/28/41/464462841.db2.gz FSIYHMFTYJQXEO-GOSISDBHSA-N 2 1 332.448 2.197 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383337 467387189 /nfs/dbraw/zinc/38/71/89/467387189.db2.gz STEZQXRGUJRNPA-GOSISDBHSA-N 2 1 346.431 2.307 10 5 EEBEMP O=[N+]([O-])c1c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc2cnccc21 ZINC000599082888 469110922 /nfs/dbraw/zinc/11/09/22/469110922.db2.gz DQFBWWQKEPDGDC-OKILXGFUSA-N 2 1 328.372 2.418 10 5 EEBEMP O=[N+]([O-])c1c(NCCN2C[C@H]3CC[C@@H](C2)O3)ccc2cnccc21 ZINC000599082888 469110927 /nfs/dbraw/zinc/11/09/27/469110927.db2.gz DQFBWWQKEPDGDC-OKILXGFUSA-N 2 1 328.372 2.418 10 5 EEBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593729433 469112939 /nfs/dbraw/zinc/11/29/39/469112939.db2.gz DTDMKFAERVPWJQ-ZTFGCOKTSA-N 2 1 349.431 2.334 10 5 EEBEMP CCO[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000926958589 693043921 /nfs/dbraw/zinc/04/39/21/693043921.db2.gz GWCNJMGHSJVANJ-SWLSCSKDSA-N 2 1 327.400 2.221 10 5 EEBEMP CN1CCN([C@@H]2CCCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174898178 464466517 /nfs/dbraw/zinc/46/65/17/464466517.db2.gz SRSBJNUAMCBAER-LJQANCHMSA-N 2 1 346.475 2.239 10 5 EEBEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174898178 464466520 /nfs/dbraw/zinc/46/65/20/464466520.db2.gz SRSBJNUAMCBAER-LJQANCHMSA-N 2 1 346.475 2.239 10 5 EEBEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174898178 464466522 /nfs/dbraw/zinc/46/65/22/464466522.db2.gz SRSBJNUAMCBAER-LJQANCHMSA-N 2 1 346.475 2.239 10 5 EEBEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423512659 466762627 /nfs/dbraw/zinc/76/26/27/466762627.db2.gz PBKKMNBPJKFXJW-ODIFPOPNSA-N 2 1 332.448 2.462 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592478428 468706604 /nfs/dbraw/zinc/70/66/04/468706604.db2.gz BGTYVOARRKQMHP-HUUCEWRRSA-N 2 1 346.431 2.387 10 5 EEBEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593320435 468938289 /nfs/dbraw/zinc/93/82/89/468938289.db2.gz IWITZBQQEKVRRK-RKVPGOIHSA-N 2 1 349.431 2.464 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486654 1240626870 /nfs/dbraw/zinc/62/68/70/1240626870.db2.gz XACSTPRGTDIOEN-MRXNPFEDSA-N 2 1 346.431 2.496 10 5 EEBEMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654512811 1354150799 /nfs/dbraw/zinc/15/07/99/1354150799.db2.gz YDWAHXYRUPJSJE-INIZCTEOSA-N 2 1 335.452 2.378 10 5 EEBEMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654512811 1354150801 /nfs/dbraw/zinc/15/08/01/1354150801.db2.gz YDWAHXYRUPJSJE-INIZCTEOSA-N 2 1 335.452 2.378 10 5 EEBEMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600767127 468652548 /nfs/dbraw/zinc/65/25/48/468652548.db2.gz QSYQQJJVYRBRHU-AWEZNQCLSA-N 2 1 337.395 2.324 10 5 EEBEMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595901238 469071842 /nfs/dbraw/zinc/07/18/42/469071842.db2.gz SSEGDHCNQDDFGA-HNNXBMFYSA-N 2 1 346.431 2.245 10 5 EEBEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817983266 785132342 /nfs/dbraw/zinc/13/23/42/785132342.db2.gz LLZIDSURNJOTEO-IUDNXUCKSA-N 2 1 347.463 2.044 10 5 EEBEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423512660 466762725 /nfs/dbraw/zinc/76/27/25/466762725.db2.gz PBKKMNBPJKFXJW-OOHWJJMZSA-N 2 1 332.448 2.462 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518187782 468108231 /nfs/dbraw/zinc/10/82/31/468108231.db2.gz IIKLCPSEMNGTCD-GOSISDBHSA-N 2 1 346.431 2.307 10 5 EEBEMP O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001660591683 1354496061 /nfs/dbraw/zinc/49/60/61/1354496061.db2.gz GWEXOUGPOVPVPX-UHFFFAOYSA-N 2 1 333.432 2.408 10 5 EEBEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423499099 466759134 /nfs/dbraw/zinc/75/91/34/466759134.db2.gz ANIPWKQCMIESCG-ODIFPOPNSA-N 2 1 332.448 2.462 10 5 EEBEMP O=[N+]([O-])c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(F)c1 ZINC000415061543 467478653 /nfs/dbraw/zinc/47/86/53/467478653.db2.gz YJRRIWJPNKAZTN-UHFFFAOYSA-N 2 1 336.411 2.040 10 5 EEBEMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000931351442 1206625721 /nfs/dbraw/zinc/62/57/21/1206625721.db2.gz KLWFHPVPDUFCIU-UHFFFAOYSA-N 2 1 334.420 2.340 10 5 EEBEMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101434 467489023 /nfs/dbraw/zinc/48/90/23/467489023.db2.gz BLNMQQGDRDYMKH-DZGCQCFKSA-N 2 1 325.434 2.375 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596363902 469251430 /nfs/dbraw/zinc/25/14/30/469251430.db2.gz LVGYKSNZYRVLGE-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596363902 469251434 /nfs/dbraw/zinc/25/14/34/469251434.db2.gz LVGYKSNZYRVLGE-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748492 468647214 /nfs/dbraw/zinc/64/72/14/468647214.db2.gz ODJRIEXGFACAEC-HDICACEKSA-N 2 1 346.431 2.163 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748492 468647219 /nfs/dbraw/zinc/64/72/19/468647219.db2.gz ODJRIEXGFACAEC-HDICACEKSA-N 2 1 346.431 2.163 10 5 EEBEMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)CCO2 ZINC000601185870 468775224 /nfs/dbraw/zinc/77/52/24/468775224.db2.gz WHOWOAKVRCSROW-UHFFFAOYSA-N 2 1 342.399 2.444 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596362905 469251511 /nfs/dbraw/zinc/25/15/11/469251511.db2.gz PUKYTOZDOXQYJO-AWEZNQCLSA-N 2 1 345.447 2.249 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596362905 469251513 /nfs/dbraw/zinc/25/15/13/469251513.db2.gz PUKYTOZDOXQYJO-AWEZNQCLSA-N 2 1 345.447 2.249 10 5 EEBEMP CCO[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000926958587 693043836 /nfs/dbraw/zinc/04/38/36/693043836.db2.gz GWCNJMGHSJVANJ-DOMZBBRYSA-N 2 1 327.400 2.221 10 5 EEBEMP Cc1c(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651473 1210713867 /nfs/dbraw/zinc/71/38/67/1210713867.db2.gz DBDXQGHNAIUTOU-OAHLLOKOSA-N 2 1 336.392 2.011 10 5 EEBEMP Cc1c(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651473 1210713869 /nfs/dbraw/zinc/71/38/69/1210713869.db2.gz DBDXQGHNAIUTOU-OAHLLOKOSA-N 2 1 336.392 2.011 10 5 EEBEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000903492945 1240658878 /nfs/dbraw/zinc/65/88/78/1240658878.db2.gz MIIFNVPOIACTNA-FLTUCWPJSA-N 2 1 347.415 2.177 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000127988076 292334162 /nfs/dbraw/zinc/33/41/62/292334162.db2.gz LAWHYEUVCAYNQC-UHFFFAOYSA-N 2 1 334.420 2.258 10 5 EEBEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000121099107 463078621 /nfs/dbraw/zinc/07/86/21/463078621.db2.gz KTJDZNFEMZKASF-OAHLLOKOSA-N 2 1 335.448 2.428 10 5 EEBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385707 467389971 /nfs/dbraw/zinc/38/99/71/467389971.db2.gz UELCJNBUSMVVOR-LRDDRELGSA-N 2 1 330.392 2.043 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420389987 467390764 /nfs/dbraw/zinc/39/07/64/467390764.db2.gz HQAVXNGULMUJHR-GOEBONIOSA-N 2 1 346.431 2.387 10 5 EEBEMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245924486 535737979 /nfs/dbraw/zinc/73/79/79/535737979.db2.gz NXGVHYGBCQCVSC-CRAIPNDOSA-N 2 1 332.448 2.368 10 5 EEBEMP O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(F)c1 ZINC000903508602 1240728475 /nfs/dbraw/zinc/72/84/75/1240728475.db2.gz NPKOAOLQRKLFDQ-CALCHBBNSA-N 2 1 348.422 2.135 10 5 EEBEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000411322872 466807655 /nfs/dbraw/zinc/80/76/55/466807655.db2.gz DHMJSMQPAFRPAF-BBRMVZONSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000411322872 466807657 /nfs/dbraw/zinc/80/76/57/466807657.db2.gz DHMJSMQPAFRPAF-BBRMVZONSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322872 466807660 /nfs/dbraw/zinc/80/76/60/466807660.db2.gz DHMJSMQPAFRPAF-BBRMVZONSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322872 466807663 /nfs/dbraw/zinc/80/76/63/466807663.db2.gz DHMJSMQPAFRPAF-BBRMVZONSA-N 2 1 334.420 2.338 10 5 EEBEMP COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000853774897 1292447484 /nfs/dbraw/zinc/44/74/84/1292447484.db2.gz YRHOOOQMVBGXGN-LBPRGKRZSA-N 2 1 342.415 2.426 10 5 EEBEMP COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000853774897 1292447491 /nfs/dbraw/zinc/44/74/91/1292447491.db2.gz YRHOOOQMVBGXGN-LBPRGKRZSA-N 2 1 342.415 2.426 10 5 EEBEMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411885442 466925496 /nfs/dbraw/zinc/92/54/96/466925496.db2.gz XTDXGSGUARDPQT-UHFFFAOYSA-N 2 1 334.420 2.387 10 5 EEBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593731219 469112357 /nfs/dbraw/zinc/11/23/57/469112357.db2.gz UQEGUABIWUXKBT-LESCRADOSA-N 2 1 349.431 2.464 10 5 EEBEMP C[C@@H]1C[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273933 469217248 /nfs/dbraw/zinc/21/72/48/469217248.db2.gz DRFWGHVRNJKCFE-TZMCWYRMSA-N 2 1 335.404 2.281 10 5 EEBEMP Cc1c(NC(=O)CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000903485726 1240622383 /nfs/dbraw/zinc/62/23/83/1240622383.db2.gz PIGPNDFLAXERQI-MRXNPFEDSA-N 2 1 346.431 2.496 10 5 EEBEMP C[N@H+]1CCCC[C@H]1CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751169 463647903 /nfs/dbraw/zinc/64/79/03/463647903.db2.gz JNYMQUIYBKWURL-IBGZPJMESA-N 2 1 346.475 2.239 10 5 EEBEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751169 463647911 /nfs/dbraw/zinc/64/79/11/463647911.db2.gz JNYMQUIYBKWURL-IBGZPJMESA-N 2 1 346.475 2.239 10 5 EEBEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751169 463647918 /nfs/dbraw/zinc/64/79/18/463647918.db2.gz JNYMQUIYBKWURL-IBGZPJMESA-N 2 1 346.475 2.239 10 5 EEBEMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600679225 468618402 /nfs/dbraw/zinc/61/84/02/468618402.db2.gz SYTKAKMRVTZOJM-WFASDCNBSA-N 2 1 332.404 2.186 10 5 EEBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000923390184 789476310 /nfs/dbraw/zinc/47/63/10/789476310.db2.gz UGWNSKMHIDHNHR-SJLPKXTDSA-N 2 1 333.432 2.340 10 5 EEBEMP Cc1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000865999123 1198450233 /nfs/dbraw/zinc/45/02/33/1198450233.db2.gz YLWIVFZFBYACLB-ZDUSSCGKSA-N 2 1 344.415 2.130 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289890130 275158834 /nfs/dbraw/zinc/15/88/34/275158834.db2.gz SSWPNANBGBWXGB-UHFFFAOYSA-N 2 1 334.464 2.361 10 5 EEBEMP COc1cc(NCC[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596424654 469262087 /nfs/dbraw/zinc/26/20/87/469262087.db2.gz JABGVRMYWZZQLW-UHFFFAOYSA-N 2 1 328.388 2.038 10 5 EEBEMP COc1cc(NCC[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596424654 469262093 /nfs/dbraw/zinc/26/20/93/469262093.db2.gz JABGVRMYWZZQLW-UHFFFAOYSA-N 2 1 328.388 2.038 10 5 EEBEMP C[N@H+](CCCn1ccnc1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001192928252 1282251264 /nfs/dbraw/zinc/25/12/64/1282251264.db2.gz IBPIPGCVHOMLHP-UHFFFAOYSA-N 2 1 342.359 2.363 10 5 EEBEMP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751296 463648113 /nfs/dbraw/zinc/64/81/13/463648113.db2.gz JQSGGBWJYHVLBE-GOSISDBHSA-N 2 1 332.448 2.197 10 5 EEBEMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174885495 464463356 /nfs/dbraw/zinc/46/33/56/464463356.db2.gz FSIYHMFTYJQXEO-SFHVURJKSA-N 2 1 332.448 2.197 10 5 EEBEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174885495 464463360 /nfs/dbraw/zinc/46/33/60/464463360.db2.gz FSIYHMFTYJQXEO-SFHVURJKSA-N 2 1 332.448 2.197 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600751037 468648013 /nfs/dbraw/zinc/64/80/13/468648013.db2.gz ZEWLICALYCRQDT-HDICACEKSA-N 2 1 346.431 2.163 10 5 EEBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593728685 469111523 /nfs/dbraw/zinc/11/15/23/469111523.db2.gz CIBMDFHWKRHESR-IIDMSEBBSA-N 2 1 349.431 2.334 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261713625 160410530 /nfs/dbraw/zinc/41/05/30/160410530.db2.gz MUEGJWMUXQZXOL-OAHLLOKOSA-N 2 1 334.420 2.291 10 5 EEBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000282040782 464677933 /nfs/dbraw/zinc/67/79/33/464677933.db2.gz LMLFBKDAZLOJPJ-AWEZNQCLSA-N 2 1 344.419 2.204 10 5 EEBEMP Cc1c(NC(=O)CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000903485725 1240623350 /nfs/dbraw/zinc/62/33/50/1240623350.db2.gz PIGPNDFLAXERQI-INIZCTEOSA-N 2 1 346.431 2.496 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601335341 468830534 /nfs/dbraw/zinc/83/05/34/468830534.db2.gz SMYDLAKXNXHQQA-DZGCQCFKSA-N 2 1 335.404 2.056 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601335341 468830538 /nfs/dbraw/zinc/83/05/38/468830538.db2.gz SMYDLAKXNXHQQA-DZGCQCFKSA-N 2 1 335.404 2.056 10 5 EEBEMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000601969863 469118721 /nfs/dbraw/zinc/11/87/21/469118721.db2.gz FUZHJMTWYXLLOQ-ZDUSSCGKSA-N 2 1 335.404 2.234 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292257119 464174848 /nfs/dbraw/zinc/17/48/48/464174848.db2.gz YGKKCHAEZIWEIY-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292257119 464174856 /nfs/dbraw/zinc/17/48/56/464174856.db2.gz YGKKCHAEZIWEIY-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292257119 464174862 /nfs/dbraw/zinc/17/48/62/464174862.db2.gz YGKKCHAEZIWEIY-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP C[C@H]1C[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273930 469217924 /nfs/dbraw/zinc/21/79/24/469217924.db2.gz DRFWGHVRNJKCFE-GXTWGEPZSA-N 2 1 335.404 2.281 10 5 EEBEMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000872158621 1198064292 /nfs/dbraw/zinc/06/42/92/1198064292.db2.gz WIHCBWCUDOYPJJ-YOEHRIQHSA-N 2 1 335.452 2.411 10 5 EEBEMP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267242434 1276669198 /nfs/dbraw/zinc/66/91/98/1276669198.db2.gz KVUGZNIHIHTYQR-UHFFFAOYSA-N 2 1 348.447 2.017 10 5 EEBEMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267242434 1276669209 /nfs/dbraw/zinc/66/92/09/1276669209.db2.gz KVUGZNIHIHTYQR-UHFFFAOYSA-N 2 1 348.447 2.017 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420389991 467390369 /nfs/dbraw/zinc/39/03/69/467390369.db2.gz HQAVXNGULMUJHR-ZBFHGGJFSA-N 2 1 346.431 2.387 10 5 EEBEMP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863574255 1296341304 /nfs/dbraw/zinc/34/13/04/1296341304.db2.gz HEOUUBJLKXOFPM-MRXNPFEDSA-N 2 1 337.395 2.324 10 5 EEBEMP Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1[N+](=O)[O-] ZINC000301810939 466036897 /nfs/dbraw/zinc/03/68/97/466036897.db2.gz BNSRLWPEYIDUKT-XYPWUTKMSA-N 2 1 345.447 2.045 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592478659 468706939 /nfs/dbraw/zinc/70/69/39/468706939.db2.gz HBKBIYQPDSGAND-PBHICJAKSA-N 2 1 346.431 2.387 10 5 EEBEMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000600755329 468649826 /nfs/dbraw/zinc/64/98/26/468649826.db2.gz GQYHSWKNURSQCK-INIZCTEOSA-N 2 1 337.395 2.324 10 5 EEBEMP COc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596359559 469249979 /nfs/dbraw/zinc/24/99/79/469249979.db2.gz CODOJSMBJKPLDV-LBPRGKRZSA-N 2 1 342.415 2.426 10 5 EEBEMP COc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596359559 469249984 /nfs/dbraw/zinc/24/99/84/469249984.db2.gz CODOJSMBJKPLDV-LBPRGKRZSA-N 2 1 342.415 2.426 10 5 EEBEMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193643834 160184414 /nfs/dbraw/zinc/18/44/14/160184414.db2.gz JAIUPZPBHHBKHQ-FPMFFAJLSA-N 2 1 343.387 2.199 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000596425662 469262033 /nfs/dbraw/zinc/26/20/33/469262033.db2.gz UCIWGIFRINQUOC-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000596425662 469262036 /nfs/dbraw/zinc/26/20/36/469262036.db2.gz UCIWGIFRINQUOC-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817939190 785086703 /nfs/dbraw/zinc/08/67/03/785086703.db2.gz AEYUUKAWDNIYSY-CYBMUJFWSA-N 2 1 329.404 2.403 10 5 EEBEMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2C1 ZINC000193608270 160183495 /nfs/dbraw/zinc/18/34/95/160183495.db2.gz SOFRGXMEDIWVTK-GASCZTMLSA-N 2 1 342.399 2.286 10 5 EEBEMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2C1 ZINC000193608270 160183497 /nfs/dbraw/zinc/18/34/97/160183497.db2.gz SOFRGXMEDIWVTK-GASCZTMLSA-N 2 1 342.399 2.286 10 5 EEBEMP C[NH+]1C[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2C1 ZINC000193608270 160183499 /nfs/dbraw/zinc/18/34/99/160183499.db2.gz SOFRGXMEDIWVTK-GASCZTMLSA-N 2 1 342.399 2.286 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599101084 469119424 /nfs/dbraw/zinc/11/94/24/469119424.db2.gz MEUPHAAGMGOHEP-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599101084 469119430 /nfs/dbraw/zinc/11/94/30/469119430.db2.gz MEUPHAAGMGOHEP-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596362000 469250527 /nfs/dbraw/zinc/25/05/27/469250527.db2.gz XQSCDEWAYOVFKC-ZDUSSCGKSA-N 2 1 346.435 2.222 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596362000 469250529 /nfs/dbraw/zinc/25/05/29/469250529.db2.gz XQSCDEWAYOVFKC-ZDUSSCGKSA-N 2 1 346.435 2.222 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596425865 469262654 /nfs/dbraw/zinc/26/26/54/469262654.db2.gz XQCHYCGESDRYNP-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596425865 469262658 /nfs/dbraw/zinc/26/26/58/469262658.db2.gz XQCHYCGESDRYNP-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593728688 469111745 /nfs/dbraw/zinc/11/17/45/469111745.db2.gz CIBMDFHWKRHESR-VKJFTORMSA-N 2 1 349.431 2.334 10 5 EEBEMP C[NH+]1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000596137622 469172074 /nfs/dbraw/zinc/17/20/74/469172074.db2.gz AFWCXOVMYTXRHG-UHFFFAOYSA-N 2 1 349.435 2.058 10 5 EEBEMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931352249 1206625698 /nfs/dbraw/zinc/62/56/98/1206625698.db2.gz XOSMQVYJBULMDE-UHFFFAOYSA-N 2 1 334.420 2.340 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484931 1240620222 /nfs/dbraw/zinc/62/02/22/1240620222.db2.gz GPCDTUSSTNCUQP-INIZCTEOSA-N 2 1 346.431 2.496 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592478427 468706444 /nfs/dbraw/zinc/70/64/44/468706444.db2.gz BGTYVOARRKQMHP-GJZGRUSLSA-N 2 1 346.431 2.387 10 5 EEBEMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000872158619 1198064998 /nfs/dbraw/zinc/06/49/98/1198064998.db2.gz WIHCBWCUDOYPJJ-WMLDXEAASA-N 2 1 335.452 2.411 10 5 EEBEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593730635 469112696 /nfs/dbraw/zinc/11/26/96/469112696.db2.gz PCLNVIOPFLGJHZ-JLSDUUJJSA-N 2 1 349.431 2.334 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000183332889 235013696 /nfs/dbraw/zinc/01/36/96/235013696.db2.gz MKASMZQRHPVAAC-HNNXBMFYSA-N 2 1 335.448 2.428 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359533 281017483 /nfs/dbraw/zinc/01/74/83/281017483.db2.gz FUNGXCUWCUUAPN-GOSISDBHSA-N 2 1 346.431 2.307 10 5 EEBEMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600677870 468618322 /nfs/dbraw/zinc/61/83/22/468618322.db2.gz CCPOVHSKIBXZRY-WFASDCNBSA-N 2 1 332.404 2.186 10 5 EEBEMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000600755332 468649874 /nfs/dbraw/zinc/64/98/74/468649874.db2.gz GQYHSWKNURSQCK-MRXNPFEDSA-N 2 1 337.395 2.324 10 5 EEBEMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903486855 1240626502 /nfs/dbraw/zinc/62/65/02/1240626502.db2.gz YOUSVESNIJFVPP-HNNXBMFYSA-N 2 1 332.404 2.188 10 5 EEBEMP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000170082911 463674829 /nfs/dbraw/zinc/67/48/29/463674829.db2.gz ZNLLLMPGMFIADS-CQSZACIVSA-N 2 1 338.839 2.118 10 5 EEBEMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000170082911 463674831 /nfs/dbraw/zinc/67/48/31/463674831.db2.gz ZNLLLMPGMFIADS-CQSZACIVSA-N 2 1 338.839 2.118 10 5 EEBEMP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509321 468612602 /nfs/dbraw/zinc/61/26/02/468612602.db2.gz HMTGYGPINMXJMT-XKQJLSEDSA-N 2 1 343.431 2.348 10 5 EEBEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246332497 160274222 /nfs/dbraw/zinc/27/42/22/160274222.db2.gz SWKRWXFGQZKWMC-DLBZAZTESA-N 2 1 330.388 2.298 10 5 EEBEMP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000170082909 463675469 /nfs/dbraw/zinc/67/54/69/463675469.db2.gz ZNLLLMPGMFIADS-AWEZNQCLSA-N 2 1 338.839 2.118 10 5 EEBEMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000170082909 463675472 /nfs/dbraw/zinc/67/54/72/463675472.db2.gz ZNLLLMPGMFIADS-AWEZNQCLSA-N 2 1 338.839 2.118 10 5 EEBEMP Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284853332 464366148 /nfs/dbraw/zinc/36/61/48/464366148.db2.gz DVDDRMJHGRGNFX-ROUUACIJSA-N 2 1 342.399 2.361 10 5 EEBEMP COc1c[nH+]ccc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361519235 466067440 /nfs/dbraw/zinc/06/74/40/466067440.db2.gz NDHMTUFIECKCFH-UHFFFAOYSA-N 2 1 342.399 2.363 10 5 EEBEMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903486656 1240626654 /nfs/dbraw/zinc/62/66/54/1240626654.db2.gz XFSQFLUDQIIFRG-HNNXBMFYSA-N 2 1 332.404 2.188 10 5 EEBEMP O=[N+]([O-])c1ccc(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903510463 1240738320 /nfs/dbraw/zinc/73/83/20/1240738320.db2.gz QLZKPXHZTZQBOJ-KDURUIRLSA-N 2 1 344.459 2.038 10 5 EEBEMP O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903510463 1240738324 /nfs/dbraw/zinc/73/83/24/1240738324.db2.gz QLZKPXHZTZQBOJ-KDURUIRLSA-N 2 1 344.459 2.038 10 5 EEBEMP O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903510463 1240738329 /nfs/dbraw/zinc/73/83/29/1240738329.db2.gz QLZKPXHZTZQBOJ-KDURUIRLSA-N 2 1 344.459 2.038 10 5 EEBEMP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353495736 465929927 /nfs/dbraw/zinc/92/99/27/465929927.db2.gz IYFYNZIJWZVFNQ-INIZCTEOSA-N 2 1 331.420 2.349 10 5 EEBEMP COc1cc(NCC[N@H+](C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596426039 469262307 /nfs/dbraw/zinc/26/23/07/469262307.db2.gz ZVOVIWOFHVMYGY-UHFFFAOYSA-N 2 1 328.388 2.038 10 5 EEBEMP COc1cc(NCC[N@@H+](C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596426039 469262311 /nfs/dbraw/zinc/26/23/11/469262311.db2.gz ZVOVIWOFHVMYGY-UHFFFAOYSA-N 2 1 328.388 2.038 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368320524 166087768 /nfs/dbraw/zinc/08/77/68/166087768.db2.gz YQTPMVVUXWSSJN-LPHOPBHVSA-N 2 1 346.475 2.361 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368320524 166087769 /nfs/dbraw/zinc/08/77/69/166087769.db2.gz YQTPMVVUXWSSJN-LPHOPBHVSA-N 2 1 346.475 2.361 10 5 EEBEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000283173496 463791957 /nfs/dbraw/zinc/79/19/57/463791957.db2.gz DSESRZRTLQSZDI-UONOGXRCSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000283173496 463791958 /nfs/dbraw/zinc/79/19/58/463791958.db2.gz DSESRZRTLQSZDI-UONOGXRCSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173496 463791959 /nfs/dbraw/zinc/79/19/59/463791959.db2.gz DSESRZRTLQSZDI-UONOGXRCSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173496 463791960 /nfs/dbraw/zinc/79/19/60/463791960.db2.gz DSESRZRTLQSZDI-UONOGXRCSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000415051540 467476712 /nfs/dbraw/zinc/47/67/12/467476712.db2.gz GCOREAANUPWZIS-FZKQIMNGSA-N 2 1 343.431 2.412 10 5 EEBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593729432 469112341 /nfs/dbraw/zinc/11/23/41/469112341.db2.gz DTDMKFAERVPWJQ-OLMNPRSZSA-N 2 1 349.431 2.334 10 5 EEBEMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000601198498 468778364 /nfs/dbraw/zinc/77/83/64/468778364.db2.gz BPHTXNXRJNHGNJ-OAHLLOKOSA-N 2 1 342.399 2.178 10 5 EEBEMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000601198498 468778368 /nfs/dbraw/zinc/77/83/68/468778368.db2.gz BPHTXNXRJNHGNJ-OAHLLOKOSA-N 2 1 342.399 2.178 10 5 EEBEMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000872155581 1198061356 /nfs/dbraw/zinc/06/13/56/1198061356.db2.gz RHIKBLMFCYFLAQ-INIZCTEOSA-N 2 1 334.420 2.151 10 5 EEBEMP CC(C)([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001333175140 1335976095 /nfs/dbraw/zinc/97/60/95/1335976095.db2.gz CQPIWEMOFOUEFJ-OAHLLOKOSA-N 2 1 344.419 2.136 10 5 EEBEMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817939192 785086558 /nfs/dbraw/zinc/08/65/58/785086558.db2.gz AEYUUKAWDNIYSY-ZDUSSCGKSA-N 2 1 329.404 2.403 10 5 EEBEMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600677869 468618268 /nfs/dbraw/zinc/61/82/68/468618268.db2.gz CCPOVHSKIBXZRY-SWLSCSKDSA-N 2 1 332.404 2.186 10 5 EEBEMP O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000594973043 468735197 /nfs/dbraw/zinc/73/51/97/468735197.db2.gz BYDNQUGJOIMVOD-LJQANCHMSA-N 2 1 341.411 2.451 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601335343 468830329 /nfs/dbraw/zinc/83/03/29/468830329.db2.gz SMYDLAKXNXHQQA-UKRRQHHQSA-N 2 1 335.404 2.056 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601335343 468830333 /nfs/dbraw/zinc/83/03/33/468830333.db2.gz SMYDLAKXNXHQQA-UKRRQHHQSA-N 2 1 335.404 2.056 10 5 EEBEMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069277 1198039365 /nfs/dbraw/zinc/03/93/65/1198039365.db2.gz OIGOUQANWABQIW-CYBMUJFWSA-N 2 1 338.427 2.411 10 5 EEBEMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069277 1198039372 /nfs/dbraw/zinc/03/93/72/1198039372.db2.gz OIGOUQANWABQIW-CYBMUJFWSA-N 2 1 338.427 2.411 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933740235 1207830889 /nfs/dbraw/zinc/83/08/89/1207830889.db2.gz LUVVGPNDYOQMCB-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933740235 1207830894 /nfs/dbraw/zinc/83/08/94/1207830894.db2.gz LUVVGPNDYOQMCB-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933740235 1207830898 /nfs/dbraw/zinc/83/08/98/1207830898.db2.gz LUVVGPNDYOQMCB-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933740235 1207830903 /nfs/dbraw/zinc/83/09/03/1207830903.db2.gz LUVVGPNDYOQMCB-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP NC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000171388048 463854655 /nfs/dbraw/zinc/85/46/55/463854655.db2.gz BCUMNTDZSBGSHT-UHFFFAOYSA-N 2 1 346.431 2.002 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592478661 468706893 /nfs/dbraw/zinc/70/68/93/468706893.db2.gz HBKBIYQPDSGAND-RHSMWYFYSA-N 2 1 346.431 2.387 10 5 EEBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593728686 469111416 /nfs/dbraw/zinc/11/14/16/469111416.db2.gz CIBMDFHWKRHESR-RKVPGOIHSA-N 2 1 349.431 2.334 10 5 EEBEMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000866699657 1201583248 /nfs/dbraw/zinc/58/32/48/1201583248.db2.gz QJPZXEWCLLJEJW-UHFFFAOYSA-N 2 1 338.383 2.136 10 5 EEBEMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000866699657 1201583251 /nfs/dbraw/zinc/58/32/51/1201583251.db2.gz QJPZXEWCLLJEJW-UHFFFAOYSA-N 2 1 338.383 2.136 10 5 EEBEMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000823755515 798762277 /nfs/dbraw/zinc/76/22/77/798762277.db2.gz PWSFTVLXPKDDRE-QZTJIDSGSA-N 2 1 346.431 2.197 10 5 EEBEMP Cc1c(NC(=O)CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292135091 275382042 /nfs/dbraw/zinc/38/20/42/275382042.db2.gz LRKWGWCLFMRBQS-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292135091 275382045 /nfs/dbraw/zinc/38/20/45/275382045.db2.gz LRKWGWCLFMRBQS-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292135091 275382046 /nfs/dbraw/zinc/38/20/46/275382046.db2.gz LRKWGWCLFMRBQS-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422638143 314297740 /nfs/dbraw/zinc/29/77/40/314297740.db2.gz PVLVQHSOGUPBPM-UHFFFAOYSA-N 2 1 332.404 2.060 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596362813 469251609 /nfs/dbraw/zinc/25/16/09/469251609.db2.gz ONGBNEIBHALGIX-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596362813 469251613 /nfs/dbraw/zinc/25/16/13/469251613.db2.gz ONGBNEIBHALGIX-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EEBEMP CCO[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000926958590 693043792 /nfs/dbraw/zinc/04/37/92/693043792.db2.gz GWCNJMGHSJVANJ-WFASDCNBSA-N 2 1 327.400 2.221 10 5 EEBEMP C[NH+](C)C1(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001264995224 1322843998 /nfs/dbraw/zinc/84/39/98/1322843998.db2.gz XYUVKWUGFPOEFN-UHFFFAOYSA-N 2 1 348.447 2.017 10 5 EEBEMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000923390182 789475936 /nfs/dbraw/zinc/47/59/36/789475936.db2.gz UGWNSKMHIDHNHR-FUHWJXTLSA-N 2 1 333.432 2.340 10 5 EEBEMP Cc1cccc(NC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)[nH+]1 ZINC000084229690 463586791 /nfs/dbraw/zinc/58/67/91/463586791.db2.gz NGMNJGKUPYRFLH-UHFFFAOYSA-N 2 1 330.392 2.071 10 5 EEBEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000283173752 463792248 /nfs/dbraw/zinc/79/22/48/463792248.db2.gz DSESRZRTLQSZDI-ZIAGYGMSSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000283173752 463792254 /nfs/dbraw/zinc/79/22/54/463792254.db2.gz DSESRZRTLQSZDI-ZIAGYGMSSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000283173752 463792257 /nfs/dbraw/zinc/79/22/57/463792257.db2.gz DSESRZRTLQSZDI-ZIAGYGMSSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173752 463792263 /nfs/dbraw/zinc/79/22/63/463792263.db2.gz DSESRZRTLQSZDI-ZIAGYGMSSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173752 463792269 /nfs/dbraw/zinc/79/22/69/463792269.db2.gz DSESRZRTLQSZDI-ZIAGYGMSSA-N 2 1 334.420 2.338 10 5 EEBEMP Cc1c(NC(=O)CC[N@@H+]2CC[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000866700439 1201583807 /nfs/dbraw/zinc/58/38/07/1201583807.db2.gz XTLXOYKUJAXGTA-UHFFFAOYSA-N 2 1 334.420 2.306 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2CC[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000866700439 1201583809 /nfs/dbraw/zinc/58/38/09/1201583809.db2.gz XTLXOYKUJAXGTA-UHFFFAOYSA-N 2 1 334.420 2.306 10 5 EEBEMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137047424 463275444 /nfs/dbraw/zinc/27/54/44/463275444.db2.gz CZGXXVWOPVPXSM-QGZVFWFLSA-N 2 1 344.415 2.316 10 5 EEBEMP Cn1ccnc1[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000593318537 468937381 /nfs/dbraw/zinc/93/73/81/468937381.db2.gz CYSNVBHAYKMJDP-HNNXBMFYSA-N 2 1 329.404 2.136 10 5 EEBEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593320432 468938047 /nfs/dbraw/zinc/93/80/47/468938047.db2.gz IWITZBQQEKVRRK-DAYGRLMNSA-N 2 1 349.431 2.464 10 5 EEBEMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000872158617 1198064476 /nfs/dbraw/zinc/06/44/76/1198064476.db2.gz WIHCBWCUDOYPJJ-RHSMWYFYSA-N 2 1 335.452 2.411 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368320523 166087650 /nfs/dbraw/zinc/08/76/50/166087650.db2.gz YQTPMVVUXWSSJN-APWZRJJASA-N 2 1 346.475 2.361 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368320523 166087652 /nfs/dbraw/zinc/08/76/52/166087652.db2.gz YQTPMVVUXWSSJN-APWZRJJASA-N 2 1 346.475 2.361 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292218817 275395847 /nfs/dbraw/zinc/39/58/47/275395847.db2.gz UWHZYKLKPXWXGQ-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292218817 275395848 /nfs/dbraw/zinc/39/58/48/275395848.db2.gz UWHZYKLKPXWXGQ-GOSISDBHSA-N 2 1 346.431 2.259 10 5 EEBEMP COc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525535 464276620 /nfs/dbraw/zinc/27/66/20/464276620.db2.gz UYBICOMAETYGAQ-KBPBESRZSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525535 464276626 /nfs/dbraw/zinc/27/66/26/464276626.db2.gz UYBICOMAETYGAQ-KBPBESRZSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525535 464276631 /nfs/dbraw/zinc/27/66/31/464276631.db2.gz UYBICOMAETYGAQ-KBPBESRZSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525535 464276635 /nfs/dbraw/zinc/27/66/35/464276635.db2.gz UYBICOMAETYGAQ-KBPBESRZSA-N 2 1 337.420 2.397 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486651 1240627366 /nfs/dbraw/zinc/62/73/66/1240627366.db2.gz XACSTPRGTDIOEN-INIZCTEOSA-N 2 1 346.431 2.496 10 5 EEBEMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600679223 468618533 /nfs/dbraw/zinc/61/85/33/468618533.db2.gz SYTKAKMRVTZOJM-IUODEOHRSA-N 2 1 332.404 2.186 10 5 EEBEMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066533458 215050602 /nfs/dbraw/zinc/05/06/02/215050602.db2.gz CKLHCPWSJYHPKJ-UHFFFAOYSA-N 2 1 346.431 2.484 10 5 EEBEMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593319287 468937678 /nfs/dbraw/zinc/93/76/78/468937678.db2.gz UMZJEYYIXGWRKV-UHFFFAOYSA-N 2 1 343.383 2.375 10 5 EEBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593730633 469113539 /nfs/dbraw/zinc/11/35/39/469113539.db2.gz PCLNVIOPFLGJHZ-FHLIZLRMSA-N 2 1 349.431 2.334 10 5 EEBEMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000872158614 1198064142 /nfs/dbraw/zinc/06/41/42/1198064142.db2.gz WIHCBWCUDOYPJJ-PBHICJAKSA-N 2 1 335.452 2.411 10 5 EEBEMP C[C@H]1C[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273931 469217899 /nfs/dbraw/zinc/21/78/99/469217899.db2.gz DRFWGHVRNJKCFE-JSGCOSHPSA-N 2 1 335.404 2.281 10 5 EEBEMP O=[N+]([O-])c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cs1 ZINC000903510078 1240737009 /nfs/dbraw/zinc/73/70/09/1240737009.db2.gz NLQYFHFMLMJIQN-GASCZTMLSA-N 2 1 336.461 2.057 10 5 EEBEMP O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510516 1240737990 /nfs/dbraw/zinc/73/79/90/1240737990.db2.gz RKDUGNSSVXACKH-GASCZTMLSA-N 2 1 348.422 2.135 10 5 EEBEMP C[N@H+]1C[C@@]23CN(C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001177009109 798693119 /nfs/dbraw/zinc/69/31/19/798693119.db2.gz XPAUUVDLKBUVOD-QRVBRYPASA-N 2 1 345.443 2.436 10 5 EEBEMP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009109 798693122 /nfs/dbraw/zinc/69/31/22/798693122.db2.gz XPAUUVDLKBUVOD-QRVBRYPASA-N 2 1 345.443 2.436 10 5 EEBEMP C[N@H+]1C[C@]23C[NH+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009109 798693126 /nfs/dbraw/zinc/69/31/26/798693126.db2.gz XPAUUVDLKBUVOD-QRVBRYPASA-N 2 1 345.443 2.436 10 5 EEBEMP C[NH+]1C[C@]23C[N@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009109 798693131 /nfs/dbraw/zinc/69/31/31/798693131.db2.gz XPAUUVDLKBUVOD-QRVBRYPASA-N 2 1 345.443 2.436 10 5 EEBEMP C[NH+]1C[C@]23C[N@@H+](C[C@@H](O)c4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001177009109 798693133 /nfs/dbraw/zinc/69/31/33/798693133.db2.gz XPAUUVDLKBUVOD-QRVBRYPASA-N 2 1 345.443 2.436 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478948 468706396 /nfs/dbraw/zinc/70/63/96/468706396.db2.gz MSDSRHJZIZSIJC-GOEBONIOSA-N 2 1 349.431 2.446 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478948 468706402 /nfs/dbraw/zinc/70/64/02/468706402.db2.gz MSDSRHJZIZSIJC-GOEBONIOSA-N 2 1 349.431 2.446 10 5 EEBEMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000267448145 256060424 /nfs/dbraw/zinc/06/04/24/256060424.db2.gz DXMJQRNDRRYLHD-UHFFFAOYSA-N 2 1 326.466 2.114 10 5 EEBEMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000267448145 256060425 /nfs/dbraw/zinc/06/04/25/256060425.db2.gz DXMJQRNDRRYLHD-UHFFFAOYSA-N 2 1 326.466 2.114 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368320525 166087370 /nfs/dbraw/zinc/08/73/70/166087370.db2.gz YQTPMVVUXWSSJN-QFBILLFUSA-N 2 1 346.475 2.361 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368320525 166087372 /nfs/dbraw/zinc/08/73/72/166087372.db2.gz YQTPMVVUXWSSJN-QFBILLFUSA-N 2 1 346.475 2.361 10 5 EEBEMP C[N@H+]1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000282500523 464842791 /nfs/dbraw/zinc/84/27/91/464842791.db2.gz WOXIASQBVMSEEU-UHFFFAOYSA-N 2 1 340.855 2.364 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420409506 467398935 /nfs/dbraw/zinc/39/89/35/467398935.db2.gz XCWMLOYGSUEKGT-YOEHRIQHSA-N 2 1 346.431 2.387 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596425930 469262586 /nfs/dbraw/zinc/26/25/86/469262586.db2.gz YVSDYRVCIQHDNW-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596425930 469262592 /nfs/dbraw/zinc/26/25/92/469262592.db2.gz YVSDYRVCIQHDNW-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903486660 1240626313 /nfs/dbraw/zinc/62/63/13/1240626313.db2.gz XFSQFLUDQIIFRG-OAHLLOKOSA-N 2 1 332.404 2.188 10 5 EEBEMP CC(C)([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001333175139 1335976043 /nfs/dbraw/zinc/97/60/43/1335976043.db2.gz CQPIWEMOFOUEFJ-HNNXBMFYSA-N 2 1 344.419 2.136 10 5 EEBEMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193643851 160184889 /nfs/dbraw/zinc/18/48/89/160184889.db2.gz JAIUPZPBHHBKHQ-BNOWGMLFSA-N 2 1 343.387 2.199 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517937210 468102237 /nfs/dbraw/zinc/10/22/37/468102237.db2.gz PBXVRUAEHDUYGX-SFHVURJKSA-N 2 1 346.431 2.307 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596362018 469251675 /nfs/dbraw/zinc/25/16/75/469251675.db2.gz YBYJKZUBSBPQPY-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596362018 469251678 /nfs/dbraw/zinc/25/16/78/469251678.db2.gz YBYJKZUBSBPQPY-AWEZNQCLSA-N 2 1 345.447 2.827 10 5 EEBEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105862783 159310269 /nfs/dbraw/zinc/31/02/69/159310269.db2.gz WIFJTLPWEVHXBL-CYBMUJFWSA-N 2 1 339.411 2.259 10 5 EEBEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105862783 159310272 /nfs/dbraw/zinc/31/02/72/159310272.db2.gz WIFJTLPWEVHXBL-CYBMUJFWSA-N 2 1 339.411 2.259 10 5 EEBEMP O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001655066216 1354163491 /nfs/dbraw/zinc/16/34/91/1354163491.db2.gz LEAVBUVQJQENTA-UHFFFAOYSA-N 2 1 333.432 2.408 10 5 EEBEMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000923390187 789476185 /nfs/dbraw/zinc/47/61/85/789476185.db2.gz UGWNSKMHIDHNHR-WMZOPIPTSA-N 2 1 333.432 2.340 10 5 EEBEMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000601198497 468778603 /nfs/dbraw/zinc/77/86/03/468778603.db2.gz BPHTXNXRJNHGNJ-HNNXBMFYSA-N 2 1 342.399 2.178 10 5 EEBEMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000601198497 468778610 /nfs/dbraw/zinc/77/86/10/468778610.db2.gz BPHTXNXRJNHGNJ-HNNXBMFYSA-N 2 1 342.399 2.178 10 5 EEBEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817983267 785132297 /nfs/dbraw/zinc/13/22/97/785132297.db2.gz LLZIDSURNJOTEO-JEYLPNPQSA-N 2 1 347.463 2.044 10 5 EEBEMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000823755516 798762199 /nfs/dbraw/zinc/76/21/99/798762199.db2.gz PWSFTVLXPKDDRE-ROUUACIJSA-N 2 1 346.431 2.197 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420389989 467391189 /nfs/dbraw/zinc/39/11/89/467391189.db2.gz HQAVXNGULMUJHR-HOCLYGCPSA-N 2 1 346.431 2.387 10 5 EEBEMP O=[N+]([O-])c1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510446 1240738480 /nfs/dbraw/zinc/73/84/80/1240738480.db2.gz PRQZIWCSPVIRES-CALCHBBNSA-N 2 1 348.422 2.135 10 5 EEBEMP Cc1c(NC(=O)CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292135097 275382125 /nfs/dbraw/zinc/38/21/25/275382125.db2.gz LRKWGWCLFMRBQS-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292135097 275382128 /nfs/dbraw/zinc/38/21/28/275382128.db2.gz LRKWGWCLFMRBQS-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292135097 275382130 /nfs/dbraw/zinc/38/21/30/275382130.db2.gz LRKWGWCLFMRBQS-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284853337 464366178 /nfs/dbraw/zinc/36/61/78/464366178.db2.gz DVDDRMJHGRGNFX-ZWKOTPCHSA-N 2 1 342.399 2.361 10 5 EEBEMP C[C@@H]1C[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273932 469217754 /nfs/dbraw/zinc/21/77/54/469217754.db2.gz DRFWGHVRNJKCFE-OCCSQVGLSA-N 2 1 335.404 2.281 10 5 EEBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000596361280 469250484 /nfs/dbraw/zinc/25/04/84/469250484.db2.gz RGPQTSSDPVWNQD-NSHDSACASA-N 2 1 329.832 2.327 10 5 EEBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000596361280 469250486 /nfs/dbraw/zinc/25/04/86/469250486.db2.gz RGPQTSSDPVWNQD-NSHDSACASA-N 2 1 329.832 2.327 10 5 EEBEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000903492946 1240658414 /nfs/dbraw/zinc/65/84/14/1240658414.db2.gz MIIFNVPOIACTNA-NPSOMJIGSA-N 2 1 347.415 2.177 10 5 EEBEMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000823755514 798762544 /nfs/dbraw/zinc/76/25/44/798762544.db2.gz PWSFTVLXPKDDRE-HDICACEKSA-N 2 1 346.431 2.197 10 5 EEBEMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000823755514 798762547 /nfs/dbraw/zinc/76/25/47/798762547.db2.gz PWSFTVLXPKDDRE-HDICACEKSA-N 2 1 346.431 2.197 10 5 EEBEMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000823755514 798762551 /nfs/dbraw/zinc/76/25/51/798762551.db2.gz PWSFTVLXPKDDRE-HDICACEKSA-N 2 1 346.431 2.197 10 5 EEBEMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000823755514 798762555 /nfs/dbraw/zinc/76/25/55/798762555.db2.gz PWSFTVLXPKDDRE-HDICACEKSA-N 2 1 346.431 2.197 10 5 EEBEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000283173490 463791798 /nfs/dbraw/zinc/79/17/98/463791798.db2.gz DSESRZRTLQSZDI-KGLIPLIRSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000283173490 463791802 /nfs/dbraw/zinc/79/18/02/463791802.db2.gz DSESRZRTLQSZDI-KGLIPLIRSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173490 463791807 /nfs/dbraw/zinc/79/18/07/463791807.db2.gz DSESRZRTLQSZDI-KGLIPLIRSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1C ZINC000283173490 463791811 /nfs/dbraw/zinc/79/18/11/463791811.db2.gz DSESRZRTLQSZDI-KGLIPLIRSA-N 2 1 334.420 2.338 10 5 EEBEMP COc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525526 464276773 /nfs/dbraw/zinc/27/67/73/464276773.db2.gz UYBICOMAETYGAQ-KGLIPLIRSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525526 464276777 /nfs/dbraw/zinc/27/67/77/464276777.db2.gz UYBICOMAETYGAQ-KGLIPLIRSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525526 464276782 /nfs/dbraw/zinc/27/67/82/464276782.db2.gz UYBICOMAETYGAQ-KGLIPLIRSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525526 464276789 /nfs/dbraw/zinc/27/67/89/464276789.db2.gz UYBICOMAETYGAQ-KGLIPLIRSA-N 2 1 337.420 2.397 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420409504 467398230 /nfs/dbraw/zinc/39/82/30/467398230.db2.gz XCWMLOYGSUEKGT-RHSMWYFYSA-N 2 1 346.431 2.387 10 5 EEBEMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101442 467489373 /nfs/dbraw/zinc/48/93/73/467489373.db2.gz BLNMQQGDRDYMKH-ZFWWWQNUSA-N 2 1 325.434 2.375 10 5 EEBEMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000925802427 1206155414 /nfs/dbraw/zinc/15/54/14/1206155414.db2.gz GKSPMHUFSBNSMI-UNEWFSDZSA-N 2 1 343.431 2.253 10 5 EEBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385713 467389665 /nfs/dbraw/zinc/38/96/65/467389665.db2.gz UELCJNBUSMVVOR-WBMJQRKESA-N 2 1 330.392 2.043 10 5 EEBEMP Cn1ccnc1[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000593318538 468937366 /nfs/dbraw/zinc/93/73/66/468937366.db2.gz CYSNVBHAYKMJDP-OAHLLOKOSA-N 2 1 329.404 2.136 10 5 EEBEMP Cc1c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000105862618 159310000 /nfs/dbraw/zinc/31/00/00/159310000.db2.gz VNYJABSCHVONSZ-CQSZACIVSA-N 2 1 335.448 2.428 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518187785 468108140 /nfs/dbraw/zinc/10/81/40/468108140.db2.gz IIKLCPSEMNGTCD-SFHVURJKSA-N 2 1 346.431 2.307 10 5 EEBEMP COc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596361963 469249850 /nfs/dbraw/zinc/24/98/50/469249850.db2.gz WHQRMVRPBQNUQU-LBPRGKRZSA-N 2 1 342.415 2.426 10 5 EEBEMP COc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596361963 469249852 /nfs/dbraw/zinc/24/98/52/469249852.db2.gz WHQRMVRPBQNUQU-LBPRGKRZSA-N 2 1 342.415 2.426 10 5 EEBEMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000282040788 464677367 /nfs/dbraw/zinc/67/73/67/464677367.db2.gz LMLFBKDAZLOJPJ-CQSZACIVSA-N 2 1 344.419 2.204 10 5 EEBEMP COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000853800041 1292459122 /nfs/dbraw/zinc/45/91/22/1292459122.db2.gz YABYUMSYWIMXDR-UHFFFAOYSA-N 2 1 328.388 2.038 10 5 EEBEMP COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000853800041 1292459124 /nfs/dbraw/zinc/45/91/24/1292459124.db2.gz YABYUMSYWIMXDR-UHFFFAOYSA-N 2 1 328.388 2.038 10 5 EEBEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000411322880 466807410 /nfs/dbraw/zinc/80/74/10/466807410.db2.gz DHMJSMQPAFRPAF-CZUORRHYSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000411322880 466807413 /nfs/dbraw/zinc/80/74/13/466807413.db2.gz DHMJSMQPAFRPAF-CZUORRHYSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322880 466807418 /nfs/dbraw/zinc/80/74/18/466807418.db2.gz DHMJSMQPAFRPAF-CZUORRHYSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322880 466807420 /nfs/dbraw/zinc/80/74/20/466807420.db2.gz DHMJSMQPAFRPAF-CZUORRHYSA-N 2 1 334.420 2.338 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420409503 467398343 /nfs/dbraw/zinc/39/83/43/467398343.db2.gz XCWMLOYGSUEKGT-PBHICJAKSA-N 2 1 346.431 2.387 10 5 EEBEMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654512812 1354150625 /nfs/dbraw/zinc/15/06/25/1354150625.db2.gz YDWAHXYRUPJSJE-MRXNPFEDSA-N 2 1 335.452 2.378 10 5 EEBEMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654512812 1354150630 /nfs/dbraw/zinc/15/06/30/1354150630.db2.gz YDWAHXYRUPJSJE-MRXNPFEDSA-N 2 1 335.452 2.378 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422632531 240166860 /nfs/dbraw/zinc/16/68/60/240166860.db2.gz GZHUJGHGQQSMLP-UHFFFAOYSA-N 2 1 332.404 2.060 10 5 EEBEMP Cc1c(NC(=O)CC[NH+]2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000422639454 314297470 /nfs/dbraw/zinc/29/74/70/314297470.db2.gz SVASQXPNACTAIK-UHFFFAOYSA-N 2 1 332.404 2.060 10 5 EEBEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154412440 462765506 /nfs/dbraw/zinc/76/55/06/462765506.db2.gz SWKRWXFGQZKWMC-IRXDYDNUSA-N 2 1 330.388 2.298 10 5 EEBEMP Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284853318 464366343 /nfs/dbraw/zinc/36/63/43/464366343.db2.gz DVDDRMJHGRGNFX-MSOLQXFVSA-N 2 1 342.399 2.361 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592478426 468706308 /nfs/dbraw/zinc/70/63/08/468706308.db2.gz BGTYVOARRKQMHP-CABCVRRESA-N 2 1 346.431 2.387 10 5 EEBEMP CCO[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000926958588 693043674 /nfs/dbraw/zinc/04/36/74/693043674.db2.gz GWCNJMGHSJVANJ-IUODEOHRSA-N 2 1 327.400 2.221 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000183332869 235013744 /nfs/dbraw/zinc/01/37/44/235013744.db2.gz MKASMZQRHPVAAC-OAHLLOKOSA-N 2 1 335.448 2.428 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368320526 166087527 /nfs/dbraw/zinc/08/75/27/166087527.db2.gz YQTPMVVUXWSSJN-VQIMIIECSA-N 2 1 346.475 2.361 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368320526 166087531 /nfs/dbraw/zinc/08/75/31/166087531.db2.gz YQTPMVVUXWSSJN-VQIMIIECSA-N 2 1 346.475 2.361 10 5 EEBEMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600679222 468618343 /nfs/dbraw/zinc/61/83/43/468618343.db2.gz SYTKAKMRVTZOJM-DOMZBBRYSA-N 2 1 332.404 2.186 10 5 EEBEMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000925802426 1206155181 /nfs/dbraw/zinc/15/51/81/1206155181.db2.gz GKSPMHUFSBNSMI-FRFSOERESA-N 2 1 343.431 2.253 10 5 EEBEMP Cc1c(NC(=O)CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000933737644 1207830439 /nfs/dbraw/zinc/83/04/39/1207830439.db2.gz AOVCQTQBBBYUDK-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1c(NC(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000933737644 1207830442 /nfs/dbraw/zinc/83/04/42/1207830442.db2.gz AOVCQTQBBBYUDK-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000933737644 1207830449 /nfs/dbraw/zinc/83/04/49/1207830449.db2.gz AOVCQTQBBBYUDK-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1c(NC(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000933737644 1207830453 /nfs/dbraw/zinc/83/04/53/1207830453.db2.gz AOVCQTQBBBYUDK-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000411322877 466807476 /nfs/dbraw/zinc/80/74/76/466807476.db2.gz DHMJSMQPAFRPAF-CJNGLKHVSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000411322877 466807482 /nfs/dbraw/zinc/80/74/82/466807482.db2.gz DHMJSMQPAFRPAF-CJNGLKHVSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322877 466807487 /nfs/dbraw/zinc/80/74/87/466807487.db2.gz DHMJSMQPAFRPAF-CJNGLKHVSA-N 2 1 334.420 2.338 10 5 EEBEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000411322877 466807490 /nfs/dbraw/zinc/80/74/90/466807490.db2.gz DHMJSMQPAFRPAF-CJNGLKHVSA-N 2 1 334.420 2.338 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420358890 467377232 /nfs/dbraw/zinc/37/72/32/467377232.db2.gz FHVDYLZGXXITHE-GOSISDBHSA-N 2 1 346.431 2.307 10 5 EEBEMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058090 467478476 /nfs/dbraw/zinc/47/84/76/467478476.db2.gz SICSGNIDXSCZJB-HWKANZROSA-N 2 1 344.459 2.414 10 5 EEBEMP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000415050671 467476362 /nfs/dbraw/zinc/47/63/62/467476362.db2.gz JAOVFHZYCDLSEQ-UHFFFAOYSA-N 2 1 332.448 2.209 10 5 EEBEMP O=[N+]([O-])c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000600763698 468651336 /nfs/dbraw/zinc/65/13/36/468651336.db2.gz GQMVOSMNYPLKNN-CQSZACIVSA-N 2 1 325.434 2.247 10 5 EEBEMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000729683876 576672076 /nfs/dbraw/zinc/67/20/76/576672076.db2.gz FAISDJXVKZVXDM-UHFFFAOYSA-N 2 1 340.855 2.365 10 5 EEBEMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137047378 463274718 /nfs/dbraw/zinc/27/47/18/463274718.db2.gz CZGXXVWOPVPXSM-KRWDZBQOSA-N 2 1 344.415 2.316 10 5 EEBEMP Cn1ccnc1[C@H]([NH2+]CCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353495738 465929709 /nfs/dbraw/zinc/92/97/09/465929709.db2.gz IYFYNZIJWZVFNQ-MRXNPFEDSA-N 2 1 331.420 2.349 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333493 468830003 /nfs/dbraw/zinc/83/00/03/468830003.db2.gz DVXOXDVHXVAQFC-YOEHRIQHSA-N 2 1 346.431 2.306 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333493 468830004 /nfs/dbraw/zinc/83/00/04/468830004.db2.gz DVXOXDVHXVAQFC-YOEHRIQHSA-N 2 1 346.431 2.306 10 5 EEBEMP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751300 463647485 /nfs/dbraw/zinc/64/74/85/463647485.db2.gz JQSGGBWJYHVLBE-SFHVURJKSA-N 2 1 332.448 2.197 10 5 EEBEMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101437 467489770 /nfs/dbraw/zinc/48/97/70/467489770.db2.gz BLNMQQGDRDYMKH-HIFRSBDPSA-N 2 1 325.434 2.375 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592478663 468706757 /nfs/dbraw/zinc/70/67/57/468706757.db2.gz HBKBIYQPDSGAND-WMLDXEAASA-N 2 1 346.431 2.387 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583694034 468742866 /nfs/dbraw/zinc/74/28/66/468742866.db2.gz UDCGWUCMMUQQFF-GOSISDBHSA-N 2 1 346.431 2.307 10 5 EEBEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000706697603 785602015 /nfs/dbraw/zinc/60/20/15/785602015.db2.gz NFDLYWFXNZRQPF-UHFFFAOYSA-N 2 1 346.225 2.025 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333492 468829853 /nfs/dbraw/zinc/82/98/53/468829853.db2.gz DVXOXDVHXVAQFC-WMLDXEAASA-N 2 1 346.431 2.306 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333492 468829855 /nfs/dbraw/zinc/82/98/55/468829855.db2.gz DVXOXDVHXVAQFC-WMLDXEAASA-N 2 1 346.431 2.306 10 5 EEBEMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600677863 468618591 /nfs/dbraw/zinc/61/85/91/468618591.db2.gz CCPOVHSKIBXZRY-DOMZBBRYSA-N 2 1 332.404 2.186 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420389985 467390385 /nfs/dbraw/zinc/39/03/85/467390385.db2.gz HQAVXNGULMUJHR-GDBMZVCRSA-N 2 1 346.431 2.387 10 5 EEBEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593320434 468937880 /nfs/dbraw/zinc/93/78/80/468937880.db2.gz IWITZBQQEKVRRK-IIDMSEBBSA-N 2 1 349.431 2.464 10 5 EEBEMP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478946 468706667 /nfs/dbraw/zinc/70/66/67/468706667.db2.gz MSDSRHJZIZSIJC-GDBMZVCRSA-N 2 1 349.431 2.446 10 5 EEBEMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478946 468706670 /nfs/dbraw/zinc/70/66/70/468706670.db2.gz MSDSRHJZIZSIJC-GDBMZVCRSA-N 2 1 349.431 2.446 10 5 EEBEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593728687 469111081 /nfs/dbraw/zinc/11/10/81/469111081.db2.gz CIBMDFHWKRHESR-RVKKMQEKSA-N 2 1 349.431 2.334 10 5 EEBEMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317479635 1332259614 /nfs/dbraw/zinc/25/96/14/1332259614.db2.gz JKVPVBDVMJHHSV-UHFFFAOYSA-N 2 1 348.447 2.017 10 5 EEBEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105862782 159310057 /nfs/dbraw/zinc/31/00/57/159310057.db2.gz WIFJTLPWEVHXBL-ZDUSSCGKSA-N 2 1 339.411 2.259 10 5 EEBEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105862782 159310060 /nfs/dbraw/zinc/31/00/60/159310060.db2.gz WIFJTLPWEVHXBL-ZDUSSCGKSA-N 2 1 339.411 2.259 10 5 EEBEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420409505 467399185 /nfs/dbraw/zinc/39/91/85/467399185.db2.gz XCWMLOYGSUEKGT-WMLDXEAASA-N 2 1 346.431 2.387 10 5 EEBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593731224 469113006 /nfs/dbraw/zinc/11/30/06/469113006.db2.gz UQEGUABIWUXKBT-YXJHDRRASA-N 2 1 349.431 2.464 10 5 EEBEMP Cc1c(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651470 1210714078 /nfs/dbraw/zinc/71/40/78/1210714078.db2.gz DBDXQGHNAIUTOU-HNNXBMFYSA-N 2 1 336.392 2.011 10 5 EEBEMP Cc1c(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651470 1210714082 /nfs/dbraw/zinc/71/40/82/1210714082.db2.gz DBDXQGHNAIUTOU-HNNXBMFYSA-N 2 1 336.392 2.011 10 5 EEBEMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101439 238819509 /nfs/dbraw/zinc/81/95/09/238819509.db2.gz BLNMQQGDRDYMKH-UKRRQHHQSA-N 2 1 325.434 2.375 10 5 EEBEMP Cc1c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000105862621 159310172 /nfs/dbraw/zinc/31/01/72/159310172.db2.gz VNYJABSCHVONSZ-AWEZNQCLSA-N 2 1 335.448 2.428 10 5 EEBEMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593731221 469113424 /nfs/dbraw/zinc/11/34/24/469113424.db2.gz UQEGUABIWUXKBT-QGPMSJSTSA-N 2 1 349.431 2.464 10 5 EEBEMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001196934545 1284346217 /nfs/dbraw/zinc/34/62/17/1284346217.db2.gz BJHGEEFQGFQCTN-MRXNPFEDSA-N 2 1 335.452 2.378 10 5 EEBEMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001196934545 1284346225 /nfs/dbraw/zinc/34/62/25/1284346225.db2.gz BJHGEEFQGFQCTN-MRXNPFEDSA-N 2 1 335.452 2.378 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050597 467475979 /nfs/dbraw/zinc/47/59/79/467475979.db2.gz ISUXKHABFPQZGK-UHFFFAOYSA-N 2 1 332.448 2.209 10 5 EEBEMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000601972747 469120090 /nfs/dbraw/zinc/12/00/90/469120090.db2.gz OHYDJDLFLRBCJH-ZDUSSCGKSA-N 2 1 337.420 2.480 10 5 EEBEMP Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284853325 464366515 /nfs/dbraw/zinc/36/65/15/464366515.db2.gz DVDDRMJHGRGNFX-QZTJIDSGSA-N 2 1 342.399 2.361 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583694035 468742182 /nfs/dbraw/zinc/74/21/82/468742182.db2.gz UDCGWUCMMUQQFF-SFHVURJKSA-N 2 1 346.431 2.307 10 5 EEBEMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420358915 467377241 /nfs/dbraw/zinc/37/72/41/467377241.db2.gz FHVDYLZGXXITHE-SFHVURJKSA-N 2 1 346.431 2.307 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517937209 468102251 /nfs/dbraw/zinc/10/22/51/468102251.db2.gz PBXVRUAEHDUYGX-GOSISDBHSA-N 2 1 346.431 2.307 10 5 EEBEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593730640 469113521 /nfs/dbraw/zinc/11/35/21/469113521.db2.gz PCLNVIOPFLGJHZ-OLMNPRSZSA-N 2 1 349.431 2.334 10 5 EEBEMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600679224 468618554 /nfs/dbraw/zinc/61/85/54/468618554.db2.gz SYTKAKMRVTZOJM-SWLSCSKDSA-N 2 1 332.404 2.186 10 5 EEBEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593730646 469113448 /nfs/dbraw/zinc/11/34/48/469113448.db2.gz PCLNVIOPFLGJHZ-ZTFGCOKTSA-N 2 1 349.431 2.334 10 5 EEBEMP COc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525498 464276235 /nfs/dbraw/zinc/27/62/35/464276235.db2.gz UYBICOMAETYGAQ-ZIAGYGMSSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525498 464276239 /nfs/dbraw/zinc/27/62/39/464276239.db2.gz UYBICOMAETYGAQ-ZIAGYGMSSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525498 464276241 /nfs/dbraw/zinc/27/62/41/464276241.db2.gz UYBICOMAETYGAQ-ZIAGYGMSSA-N 2 1 337.420 2.397 10 5 EEBEMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525498 464276245 /nfs/dbraw/zinc/27/62/45/464276245.db2.gz UYBICOMAETYGAQ-ZIAGYGMSSA-N 2 1 337.420 2.397 10 5 EEBEMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592478429 468706767 /nfs/dbraw/zinc/70/67/67/468706767.db2.gz BGTYVOARRKQMHP-LSDHHAIUSA-N 2 1 346.431 2.387 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292257124 464175063 /nfs/dbraw/zinc/17/50/63/464175063.db2.gz YGKKCHAEZIWEIY-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292257124 464175067 /nfs/dbraw/zinc/17/50/67/464175067.db2.gz YGKKCHAEZIWEIY-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292257124 464175072 /nfs/dbraw/zinc/17/50/72/464175072.db2.gz YGKKCHAEZIWEIY-SFHVURJKSA-N 2 1 346.431 2.259 10 5 EEBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385704 467389309 /nfs/dbraw/zinc/38/93/09/467389309.db2.gz UELCJNBUSMVVOR-BLLLJJGKSA-N 2 1 330.392 2.043 10 5 EEBEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593320433 468938687 /nfs/dbraw/zinc/93/86/87/468938687.db2.gz IWITZBQQEKVRRK-HDMKZQKVSA-N 2 1 349.431 2.464 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866700211 1201583746 /nfs/dbraw/zinc/58/37/46/1201583746.db2.gz SYVSDTIORNMEMN-UHFFFAOYSA-N 2 1 334.420 2.306 10 5 EEBEMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866700211 1201583748 /nfs/dbraw/zinc/58/37/48/1201583748.db2.gz SYVSDTIORNMEMN-UHFFFAOYSA-N 2 1 334.420 2.306 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933740761 676843342 /nfs/dbraw/zinc/84/33/42/676843342.db2.gz QKYLSAMBVOXKRA-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933740761 676843343 /nfs/dbraw/zinc/84/33/43/676843343.db2.gz QKYLSAMBVOXKRA-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933740761 676843344 /nfs/dbraw/zinc/84/33/44/676843344.db2.gz QKYLSAMBVOXKRA-KDOFPFPSSA-N 2 1 346.431 2.115 10 5 EEBEMP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001266362560 1176410477 /nfs/dbraw/zinc/41/04/77/1176410477.db2.gz LTDCSBCQFDCPIJ-UHFFFAOYSA-N 2 1 348.447 2.019 10 5 EEBEMP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001266362560 1176410482 /nfs/dbraw/zinc/41/04/82/1176410482.db2.gz LTDCSBCQFDCPIJ-UHFFFAOYSA-N 2 1 348.447 2.019 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866699918 1201583738 /nfs/dbraw/zinc/58/37/38/1201583738.db2.gz QFGWWYTWBYNSJQ-UHFFFAOYSA-N 2 1 334.420 2.306 10 5 EEBEMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866699918 1201583739 /nfs/dbraw/zinc/58/37/39/1201583739.db2.gz QFGWWYTWBYNSJQ-UHFFFAOYSA-N 2 1 334.420 2.306 10 5 EEBEMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595901239 469072291 /nfs/dbraw/zinc/07/22/91/469072291.db2.gz SSEGDHCNQDDFGA-OAHLLOKOSA-N 2 1 346.431 2.245 10 5 EEBEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596425684 469262721 /nfs/dbraw/zinc/26/27/21/469262721.db2.gz URGVDYNDQOEVOZ-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596425684 469262722 /nfs/dbraw/zinc/26/27/22/469262722.db2.gz URGVDYNDQOEVOZ-UHFFFAOYSA-N 2 1 331.420 2.438 10 5 EEBEMP