smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(NCCCC[NH3+])Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157097430 863573456 /nfs/dbraw/zinc/57/34/56/863573456.db2.gz WWSVVAOQTAXWSQ-UHFFFAOYSA-N 1 3 302.338 1.818 20 5 DDBDHO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC001335898631 868605594 /nfs/dbraw/zinc/60/55/94/868605594.db2.gz UIYGMHPBOGOMOL-OAHLLOKOSA-N 1 3 308.382 1.053 20 5 DDBDHO CN1CCC[C@@H](C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550399 185302536 /nfs/dbraw/zinc/30/25/36/185302536.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 1 3 308.382 1.030 20 5 DDBDHO CN1CCC[C@@H](C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550399 185302537 /nfs/dbraw/zinc/30/25/37/185302537.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 1 3 308.382 1.030 20 5 DDBDHO COc1cc(NCC[N@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596424661 356875093 /nfs/dbraw/zinc/87/50/93/356875093.db2.gz JNBODRYJALTJIT-UHFFFAOYSA-N 1 3 310.398 1.899 20 5 DDBDHO COc1cc(NCC[N@@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596424661 356875097 /nfs/dbraw/zinc/87/50/97/356875097.db2.gz JNBODRYJALTJIT-UHFFFAOYSA-N 1 3 310.398 1.899 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000602763489 359174235 /nfs/dbraw/zinc/17/42/35/359174235.db2.gz OXTAGXKDJWXYCJ-UHFFFAOYSA-N 1 3 321.425 1.908 20 5 DDBDHO CN1CCCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507878 781992010 /nfs/dbraw/zinc/99/20/10/781992010.db2.gz MCCBQCXNOWAOSR-CJNGLKHVSA-N 1 3 307.394 1.950 20 5 DDBDHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507880 781992261 /nfs/dbraw/zinc/99/22/61/781992261.db2.gz MCCBQCXNOWAOSR-CZUORRHYSA-N 1 3 307.394 1.950 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])C1CC1 ZINC000423282135 420000956 /nfs/dbraw/zinc/00/09/56/420000956.db2.gz UZEDRKKAKSXGPY-QMTHXVAHSA-N 1 3 306.366 1.639 20 5 DDBDHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795754 420717073 /nfs/dbraw/zinc/71/70/73/420717073.db2.gz VJWZDSJLGQXCTP-NWDGAFQWSA-N 1 3 306.366 1.593 20 5 DDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000903491124 711146203 /nfs/dbraw/zinc/14/62/03/711146203.db2.gz WLCJKXZNNLJASQ-ZENOOKHLSA-N 1 3 319.361 1.307 20 5 DDBDHO NC(=O)c1ccc(CN2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000358506221 299178108 /nfs/dbraw/zinc/17/81/08/299178108.db2.gz KYUDBRFZWBEAFR-UHFFFAOYSA-N 1 3 318.377 1.269 20 5 DDBDHO CC(C)[N@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000531108790 421623941 /nfs/dbraw/zinc/62/39/41/421623941.db2.gz ZNVHKCYSTSPYKJ-UHFFFAOYSA-N 1 3 309.414 1.844 20 5 DDBDHO CC(C)[N@@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000531108790 421623942 /nfs/dbraw/zinc/62/39/42/421623942.db2.gz ZNVHKCYSTSPYKJ-UHFFFAOYSA-N 1 3 309.414 1.844 20 5 DDBDHO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000394727318 307295661 /nfs/dbraw/zinc/29/56/61/307295661.db2.gz IYJXJHBUQQLDTG-ZDUSSCGKSA-N 1 3 315.377 1.189 20 5 DDBDHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365769 702867248 /nfs/dbraw/zinc/86/72/48/702867248.db2.gz RPCIXLZEMSHCPG-WDEREUQCSA-N 1 3 324.356 1.732 20 5 DDBDHO C[C@H](CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC001353298242 877238170 /nfs/dbraw/zinc/23/81/70/877238170.db2.gz RVQGSUCOYOXWPT-OCCSQVGLSA-N 1 3 311.382 1.264 20 5 DDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000597943360 357392976 /nfs/dbraw/zinc/39/29/76/357392976.db2.gz ZFKPBOAEIZQBHV-ZDUSSCGKSA-N 1 3 322.409 1.597 20 5 DDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000597943360 357392979 /nfs/dbraw/zinc/39/29/79/357392979.db2.gz ZFKPBOAEIZQBHV-ZDUSSCGKSA-N 1 3 322.409 1.597 20 5 DDBDHO Cc1c(NC(=O)CCN2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442767110 420711830 /nfs/dbraw/zinc/71/18/30/420711830.db2.gz MBTKIHXGUKKKBQ-DGCLKSJQSA-N 1 3 320.393 1.901 20 5 DDBDHO CN1CCC(O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474760 308054021 /nfs/dbraw/zinc/05/40/21/308054021.db2.gz ISWRHTXBXDTNBR-AWEZNQCLSA-N 1 3 305.378 1.628 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567345833 308078370 /nfs/dbraw/zinc/07/83/70/308078370.db2.gz VTVMCALZTVGXPL-IPYPFGDCSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345833 308078372 /nfs/dbraw/zinc/07/83/72/308078372.db2.gz VTVMCALZTVGXPL-IPYPFGDCSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H](CNC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641480 712104326 /nfs/dbraw/zinc/10/43/26/712104326.db2.gz CABSFQQWJAYODW-JSGCOSHPSA-N 1 3 307.394 1.743 20 5 DDBDHO C[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641480 712104329 /nfs/dbraw/zinc/10/43/29/712104329.db2.gz CABSFQQWJAYODW-JSGCOSHPSA-N 1 3 307.394 1.743 20 5 DDBDHO [NH3+]C1(Cc2cccnc2)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000852 762171491 /nfs/dbraw/zinc/17/14/91/762171491.db2.gz YVUUNTXZEQHQLX-GDBMZVCRSA-N 1 3 318.421 1.863 20 5 DDBDHO Cc1c[nH+]ccc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169054240 762208655 /nfs/dbraw/zinc/20/86/55/762208655.db2.gz LEPHWECFXGMSEJ-GJZGRUSLSA-N 1 3 304.394 1.957 20 5 DDBDHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507882 781992573 /nfs/dbraw/zinc/99/25/73/781992573.db2.gz MCCBQCXNOWAOSR-XJKSGUPXSA-N 1 3 307.394 1.950 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000103210804 407333613 /nfs/dbraw/zinc/33/36/13/407333613.db2.gz VLKDREMQDAXYJA-UHFFFAOYSA-N 1 3 322.409 1.089 20 5 DDBDHO CN1CCN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000282210547 409011003 /nfs/dbraw/zinc/01/10/03/409011003.db2.gz DIYOYHQRFVVLPM-UHFFFAOYSA-N 1 3 306.410 1.710 20 5 DDBDHO COc1cc([C@H](C)NCCOCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903157684 711050992 /nfs/dbraw/zinc/05/09/92/711050992.db2.gz MEBFYMKHDKEXBW-LBPRGKRZSA-N 1 3 311.382 1.832 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351853569 410291029 /nfs/dbraw/zinc/29/10/29/410291029.db2.gz PBSGWOHMXQKQCC-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423409351 420041867 /nfs/dbraw/zinc/04/18/67/420041867.db2.gz YUDDYIMMUXSNPN-ZOWXZIJZSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423409351 420041870 /nfs/dbraw/zinc/04/18/70/420041870.db2.gz YUDDYIMMUXSNPN-ZOWXZIJZSA-N 1 3 320.393 1.900 20 5 DDBDHO Cc1c[nH+]ccc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169054241 762209118 /nfs/dbraw/zinc/20/91/18/762209118.db2.gz LEPHWECFXGMSEJ-HUUCEWRRSA-N 1 3 304.394 1.957 20 5 DDBDHO [NH3+]Cc1ccc2nnn(-c3cc4c(cc3[N+](=O)[O-])CNC4)c2c1 ZINC001170023912 764106947 /nfs/dbraw/zinc/10/69/47/764106947.db2.gz HBGKTJSJSPADMW-UHFFFAOYSA-N 1 3 310.317 1.391 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC2(C1)CC[NH+](C)CC2 ZINC000602878400 359261112 /nfs/dbraw/zinc/26/11/12/359261112.db2.gz RKVICWOHWCUCOI-UHFFFAOYSA-N 1 3 307.398 1.517 20 5 DDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000351495708 284344122 /nfs/dbraw/zinc/34/41/22/284344122.db2.gz PYRQOGOCZUZIBL-BYCMXARLSA-N 1 3 318.377 1.593 20 5 DDBDHO O=[N+]([O-])c1ccccc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178955357 285163632 /nfs/dbraw/zinc/16/36/32/285163632.db2.gz YJCLPXZSPGKIHU-UHFFFAOYSA-N 1 3 304.394 1.716 20 5 DDBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423017188 227314184 /nfs/dbraw/zinc/31/41/84/227314184.db2.gz VSXPFDVQGSYZBD-IXDOHACOSA-N 1 3 319.405 1.884 20 5 DDBDHO C[C@H](CC[NH3+])NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414892980 419866308 /nfs/dbraw/zinc/86/63/08/419866308.db2.gz JXLGPZTVYXMMJJ-LLVKDONJSA-N 1 3 303.366 1.822 20 5 DDBDHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928517 420211400 /nfs/dbraw/zinc/21/14/00/420211400.db2.gz UJSXJESTBMWHQQ-QWHCGFSZSA-N 1 3 320.393 1.983 20 5 DDBDHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776202 420714151 /nfs/dbraw/zinc/71/41/51/420714151.db2.gz BSYJACOOLZQXAA-VXGBXAGGSA-N 1 3 306.366 1.593 20 5 DDBDHO NC(=O)c1ccc(CN2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431038268 534480497 /nfs/dbraw/zinc/48/04/97/534480497.db2.gz CPFQWLGAFXAAQH-UHFFFAOYSA-N 1 3 318.377 1.269 20 5 DDBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923355684 714325297 /nfs/dbraw/zinc/32/52/97/714325297.db2.gz AHDMAOFUBTUPEI-DOTOQJQBSA-N 1 3 319.405 1.950 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739147 355981568 /nfs/dbraw/zinc/98/15/68/355981568.db2.gz YFQJKYHFMTZRJA-BFHYXJOUSA-N 1 3 323.397 1.010 20 5 DDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597943245 357393126 /nfs/dbraw/zinc/39/31/26/357393126.db2.gz WCCVIUMJJHBLAH-ZDUSSCGKSA-N 1 3 322.409 1.597 20 5 DDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597943245 357393128 /nfs/dbraw/zinc/39/31/28/357393128.db2.gz WCCVIUMJJHBLAH-ZDUSSCGKSA-N 1 3 322.409 1.597 20 5 DDBDHO CN1CCC(O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000265828898 407475146 /nfs/dbraw/zinc/47/51/46/407475146.db2.gz CMZQYCDCHFUIMW-GQCTYLIASA-N 1 3 305.378 1.654 20 5 DDBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268403910 408029801 /nfs/dbraw/zinc/02/98/01/408029801.db2.gz DRFGVKODOMSYOS-UHFFFAOYSA-N 1 3 307.394 1.920 20 5 DDBDHO CCC[C@@H](NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423202486 529008487 /nfs/dbraw/zinc/00/84/87/529008487.db2.gz KXGUFIINPACEKW-MRXNPFEDSA-N 1 3 306.410 1.931 20 5 DDBDHO [NH3+]CCCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000846217828 703252311 /nfs/dbraw/zinc/25/23/11/703252311.db2.gz DGRNGQJCKWHIKB-UHFFFAOYSA-N 1 3 307.398 1.631 20 5 DDBDHO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001168999012 762170896 /nfs/dbraw/zinc/17/08/96/762170896.db2.gz QZDCGUCUHGMVKC-VGWMRTNUSA-N 1 3 311.426 1.665 20 5 DDBDHO CCOc1nc(NC(=N)NCC[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC001163128951 868135235 /nfs/dbraw/zinc/13/52/35/868135235.db2.gz QXFUCPHWWOWNDN-UHFFFAOYSA-N 1 3 324.385 1.667 20 5 DDBDHO NC[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001246578383 892710322 /nfs/dbraw/zinc/71/03/22/892710322.db2.gz BNXMRBSWHQXUTG-LZWOXQAQSA-N 1 3 305.378 1.094 20 5 DDBDHO NC[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001246578383 892710333 /nfs/dbraw/zinc/71/03/33/892710333.db2.gz BNXMRBSWHQXUTG-LZWOXQAQSA-N 1 3 305.378 1.094 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000602830968 359222253 /nfs/dbraw/zinc/22/22/53/359222253.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 1 3 307.398 1.517 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000602830968 359222256 /nfs/dbraw/zinc/22/22/56/359222256.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 1 3 307.398 1.517 20 5 DDBDHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420320489 420205579 /nfs/dbraw/zinc/20/55/79/420205579.db2.gz QJOCRPSINRXTSA-HNNXBMFYSA-N 1 3 308.382 1.886 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000430613520 420157126 /nfs/dbraw/zinc/15/71/26/420157126.db2.gz WCTZAQFPYXCTDC-ZDUSSCGKSA-N 1 3 320.393 1.903 20 5 DDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000903490631 711146150 /nfs/dbraw/zinc/14/61/50/711146150.db2.gz AVXKOEOWZFHYNU-ZENOOKHLSA-N 1 3 319.361 1.307 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757303 711269894 /nfs/dbraw/zinc/26/98/94/711269894.db2.gz BVUIICPYZPHSRV-RDJZCZTQSA-N 1 3 319.405 1.838 20 5 DDBDHO C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC001336754488 869125364 /nfs/dbraw/zinc/12/53/64/869125364.db2.gz LRQAONLEWKGULJ-OLZOCXBDSA-N 1 3 311.382 1.264 20 5 DDBDHO COc1cc(CNCCC2(C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000593317193 355853414 /nfs/dbraw/zinc/85/34/14/355853414.db2.gz RVVYEANMIUNIAT-UHFFFAOYSA-N 1 3 309.366 1.831 20 5 DDBDHO COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000594522346 356241841 /nfs/dbraw/zinc/24/18/41/356241841.db2.gz PWUUWRPIHDVSRL-KLPPZKSPSA-N 1 3 309.366 1.739 20 5 DDBDHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000103212961 407334001 /nfs/dbraw/zinc/33/40/01/407334001.db2.gz VYKNBXFEHVOHRZ-UHFFFAOYSA-N 1 3 322.409 1.469 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442778360 420713754 /nfs/dbraw/zinc/71/37/54/420713754.db2.gz FZBSARZYGULONM-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000103210736 353928301 /nfs/dbraw/zinc/92/83/01/353928301.db2.gz WKKQTZQUOPIGRB-UHFFFAOYSA-N 1 3 322.409 1.469 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592983071 355762891 /nfs/dbraw/zinc/76/28/91/355762891.db2.gz PHCSGVWTPOCJSQ-KGLIPLIRSA-N 1 3 307.398 1.503 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739148 355982099 /nfs/dbraw/zinc/98/20/99/355982099.db2.gz YFQJKYHFMTZRJA-MCIONIFRSA-N 1 3 323.397 1.010 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000566115248 304119986 /nfs/dbraw/zinc/11/99/86/304119986.db2.gz IHSSANDHDBUBME-MGPQQGTHSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115248 304119988 /nfs/dbraw/zinc/11/99/88/304119988.db2.gz IHSSANDHDBUBME-MGPQQGTHSA-N 1 3 323.393 1.407 20 5 DDBDHO CC[NH+]1CCC(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000567680072 304233964 /nfs/dbraw/zinc/23/39/64/304233964.db2.gz OMWGJJKQROWBHZ-UHFFFAOYSA-N 1 3 320.393 1.997 20 5 DDBDHO CN(CCCN(C)Cc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289388881 409260577 /nfs/dbraw/zinc/26/05/77/409260577.db2.gz JVDMKOOLSQGEAG-UHFFFAOYSA-N 1 3 308.426 1.910 20 5 DDBDHO CCN1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126327 /nfs/dbraw/zinc/12/63/27/271126327.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 1 3 322.409 1.561 20 5 DDBDHO CCN1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126329 /nfs/dbraw/zinc/12/63/29/271126329.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 1 3 322.409 1.561 20 5 DDBDHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365767 702867315 /nfs/dbraw/zinc/86/73/15/702867315.db2.gz RPCIXLZEMSHCPG-MNOVXSKESA-N 1 3 324.356 1.732 20 5 DDBDHO CCCN1CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964376 705941028 /nfs/dbraw/zinc/94/10/28/705941028.db2.gz YZOPFSNGDNMUSO-HSBZDZAISA-N 1 3 307.398 1.816 20 5 DDBDHO C[NH+](C)CCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159770456 197362780 /nfs/dbraw/zinc/36/27/80/197362780.db2.gz YOSHYNWNGQDWKB-UHFFFAOYSA-N 1 3 322.409 1.420 20 5 DDBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422743443 285111213 /nfs/dbraw/zinc/11/12/13/285111213.db2.gz RHVIJIVXRKOSID-IXDOHACOSA-N 1 3 319.405 1.884 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262151682 407754906 /nfs/dbraw/zinc/75/49/06/407754906.db2.gz RHRIKHXUXMMEHZ-MRXNPFEDSA-N 1 3 304.394 1.383 20 5 DDBDHO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCCC1 ZINC000876946250 705933937 /nfs/dbraw/zinc/93/39/37/705933937.db2.gz OZWIHJJIGVAYPS-HSBZDZAISA-N 1 3 307.398 1.816 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757302 711269786 /nfs/dbraw/zinc/26/97/86/711269786.db2.gz BVUIICPYZPHSRV-NVXWUHKLSA-N 1 3 319.405 1.838 20 5 DDBDHO CC[NH+](CC)CCNC(=N)Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001163122857 868125668 /nfs/dbraw/zinc/12/56/68/868125668.db2.gz SHTBKQKQQCVVOO-UHFFFAOYSA-N 1 3 314.777 1.921 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1NC[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)CNC2 ZINC001163171176 868183626 /nfs/dbraw/zinc/18/36/26/868183626.db2.gz JPGXSHFEWSSFJS-IOASZLSFSA-N 1 3 318.377 1.234 20 5 DDBDHO [NH3+]C[C@H]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591281752 355278020 /nfs/dbraw/zinc/27/80/20/355278020.db2.gz BEFXHLYHWCVJFM-CMPLNLGQSA-N 1 3 307.350 1.583 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261807870 407623743 /nfs/dbraw/zinc/62/37/43/407623743.db2.gz OOECQZJXFXYRCG-MRXNPFEDSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@](C)(CN)C2)cccc1[N+](=O)[O-] ZINC000261807870 407623746 /nfs/dbraw/zinc/62/37/46/407623746.db2.gz OOECQZJXFXYRCG-MRXNPFEDSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@](C)(CN)C2)cccc1[N+](=O)[O-] ZINC000261807870 407623748 /nfs/dbraw/zinc/62/37/48/407623748.db2.gz OOECQZJXFXYRCG-MRXNPFEDSA-N 1 3 320.393 1.903 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414827416 419827707 /nfs/dbraw/zinc/82/77/07/419827707.db2.gz KQDBZMLPZRSOSR-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414827416 419827717 /nfs/dbraw/zinc/82/77/17/419827717.db2.gz KQDBZMLPZRSOSR-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])C1CC1 ZINC000423282133 420002118 /nfs/dbraw/zinc/00/21/18/420002118.db2.gz UZEDRKKAKSXGPY-HZMBPMFUSA-N 1 3 306.366 1.639 20 5 DDBDHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776200 420714002 /nfs/dbraw/zinc/71/40/02/420714002.db2.gz BSYJACOOLZQXAA-RYUDHWBXSA-N 1 3 306.366 1.593 20 5 DDBDHO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000903496087 711151292 /nfs/dbraw/zinc/15/12/92/711151292.db2.gz FBAFDQZKEBBZAH-CHWSQXEVSA-N 1 3 320.393 1.474 20 5 DDBDHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009032 762177092 /nfs/dbraw/zinc/17/70/92/762177092.db2.gz ULDFJNNEDRMCHK-CHWSQXEVSA-N 1 3 313.398 1.178 20 5 DDBDHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009032 762177093 /nfs/dbraw/zinc/17/70/93/762177093.db2.gz ULDFJNNEDRMCHK-CHWSQXEVSA-N 1 3 313.398 1.178 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCO[C@]3(CC[NH2+]C3)C1)CNC2 ZINC001163322763 868351371 /nfs/dbraw/zinc/35/13/71/868351371.db2.gz KMYCXSBSUGABLP-CZUORRHYSA-N 1 3 318.377 1.521 20 5 DDBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000569976829 304388973 /nfs/dbraw/zinc/38/89/73/304388973.db2.gz ASWTWFJXHPXUEN-HUUCEWRRSA-N 1 3 323.397 1.010 20 5 DDBDHO CCOc1ccc([C@H](C)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423211513 419986757 /nfs/dbraw/zinc/98/67/57/419986757.db2.gz YMNTVYPZEBZFDM-ZDUSSCGKSA-N 1 3 322.409 1.549 20 5 DDBDHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420365592 420238749 /nfs/dbraw/zinc/23/87/49/420238749.db2.gz QIPBNBUURZXXLB-AWEZNQCLSA-N 1 3 320.393 1.901 20 5 DDBDHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420365592 420238751 /nfs/dbraw/zinc/23/87/51/420238751.db2.gz QIPBNBUURZXXLB-AWEZNQCLSA-N 1 3 320.393 1.901 20 5 DDBDHO [NH3+]C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712336 422411875 /nfs/dbraw/zinc/41/18/75/422411875.db2.gz WWNDUXYYXMNSHK-QWHCGFSZSA-N 1 3 323.397 1.373 20 5 DDBDHO [NH3+]C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712335 422412268 /nfs/dbraw/zinc/41/22/68/422412268.db2.gz WWNDUXYYXMNSHK-OLZOCXBDSA-N 1 3 323.397 1.373 20 5 DDBDHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420295097 279148698 /nfs/dbraw/zinc/14/86/98/279148698.db2.gz UUOCSXYNIYUJML-HNNXBMFYSA-N 1 3 306.366 1.640 20 5 DDBDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582796 701899947 /nfs/dbraw/zinc/89/99/47/701899947.db2.gz PMAKCLDRGVSGQF-LLVKDONJSA-N 1 3 308.382 1.284 20 5 DDBDHO C[C@@H](N)C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567469 705960093 /nfs/dbraw/zinc/96/00/93/705960093.db2.gz CVLLAPLOUQBCKO-SNVBAGLBSA-N 1 3 308.338 1.172 20 5 DDBDHO C[C@@H](N)C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567469 705960095 /nfs/dbraw/zinc/96/00/95/705960095.db2.gz CVLLAPLOUQBCKO-SNVBAGLBSA-N 1 3 308.338 1.172 20 5 DDBDHO CN1CCCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877654214 706171394 /nfs/dbraw/zinc/17/13/94/706171394.db2.gz WTOSNECHGRFQPG-IYXRBSQSSA-N 1 3 307.398 1.816 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157094151 863569511 /nfs/dbraw/zinc/56/95/11/863569511.db2.gz KSGXNOWIPHYIPE-UHFFFAOYSA-N 1 3 303.326 1.213 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739149 355982086 /nfs/dbraw/zinc/98/20/86/355982086.db2.gz YFQJKYHFMTZRJA-MGPQQGTHSA-N 1 3 323.397 1.010 20 5 DDBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000420310073 420198916 /nfs/dbraw/zinc/19/89/16/420198916.db2.gz LZZJSIOANACRHG-AWEZNQCLSA-N 1 3 320.393 1.997 20 5 DDBDHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573987 420144127 /nfs/dbraw/zinc/14/41/27/420144127.db2.gz RRAIQXGFJNZFBM-STQMWFEESA-N 1 3 320.393 1.983 20 5 DDBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000573855183 308253459 /nfs/dbraw/zinc/25/34/59/308253459.db2.gz WXSCDRLFTOXLIP-DZGCQCFKSA-N 1 3 323.397 1.010 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000876935840 705929843 /nfs/dbraw/zinc/92/98/43/705929843.db2.gz RSPZKJAHXJSICT-CXTZMWEQSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000876935840 705929846 /nfs/dbraw/zinc/92/98/46/705929846.db2.gz RSPZKJAHXJSICT-CXTZMWEQSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923355687 714325540 /nfs/dbraw/zinc/32/55/40/714325540.db2.gz AHDMAOFUBTUPEI-WBVHZDCISA-N 1 3 319.405 1.950 20 5 DDBDHO CC(C)CCN1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000925565382 714889229 /nfs/dbraw/zinc/88/92/29/714889229.db2.gz QFQRHJRNYNDSCV-UHFFFAOYSA-N 1 3 309.414 1.891 20 5 DDBDHO N[C@@H](CCC[NH3+])NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001159784661 771925365 /nfs/dbraw/zinc/92/53/65/771925365.db2.gz KQINWKGZANBOAX-MRVPVSSYSA-N 1 3 309.704 1.306 20 5 DDBDHO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN(C)C ZINC001335381624 868261474 /nfs/dbraw/zinc/26/14/74/868261474.db2.gz NXXIWIWTHJLCAG-LBPRGKRZSA-N 1 3 308.382 1.711 20 5 DDBDHO C[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC001335381624 868261486 /nfs/dbraw/zinc/26/14/86/868261486.db2.gz NXXIWIWTHJLCAG-LBPRGKRZSA-N 1 3 308.382 1.711 20 5 DDBDHO CC(C)[N@H+](C)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356585864 879116792 /nfs/dbraw/zinc/11/67/92/879116792.db2.gz WMJAWAIQEGNRID-UHFFFAOYSA-N 1 3 308.382 1.853 20 5 DDBDHO CC(C)[N@@H+](C)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356585864 879116800 /nfs/dbraw/zinc/11/68/00/879116800.db2.gz WMJAWAIQEGNRID-UHFFFAOYSA-N 1 3 308.382 1.853 20 5 DDBDHO CC[NH+](CC)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357909564 410322487 /nfs/dbraw/zinc/32/24/87/410322487.db2.gz LAGLULQTUUYADC-UHFFFAOYSA-N 1 3 309.414 1.845 20 5 DDBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422743442 227149356 /nfs/dbraw/zinc/14/93/56/227149356.db2.gz RHVIJIVXRKOSID-GVDBMIGSSA-N 1 3 319.405 1.884 20 5 DDBDHO Cn1cc(C[NH2+]CC2(N)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414885192 419859393 /nfs/dbraw/zinc/85/93/93/419859393.db2.gz WPKAZGCZQDEVGQ-UHFFFAOYSA-N 1 3 315.377 1.966 20 5 DDBDHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000866700490 706768882 /nfs/dbraw/zinc/76/88/82/706768882.db2.gz YQYZLUJTKWUALF-UHFFFAOYSA-N 1 3 320.393 1.997 20 5 DDBDHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000866700490 706768884 /nfs/dbraw/zinc/76/88/84/706768884.db2.gz YQYZLUJTKWUALF-UHFFFAOYSA-N 1 3 320.393 1.997 20 5 DDBDHO NC[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001246578382 892711087 /nfs/dbraw/zinc/71/10/87/892711087.db2.gz BNXMRBSWHQXUTG-DZKIICNBSA-N 1 3 305.378 1.094 20 5 DDBDHO NC[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001246578382 892711099 /nfs/dbraw/zinc/71/10/99/892711099.db2.gz BNXMRBSWHQXUTG-DZKIICNBSA-N 1 3 305.378 1.094 20 5 DDBDHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000591281642 355277568 /nfs/dbraw/zinc/27/75/68/355277568.db2.gz HLPDWTOVCGOORE-OAHLLOKOSA-N 1 3 321.377 1.844 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000592472262 355592546 /nfs/dbraw/zinc/59/25/46/355592546.db2.gz PLGMWZAPRUGUOQ-AWEZNQCLSA-N 1 3 306.410 1.801 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCOCC[NH3+] ZINC000600735711 358301824 /nfs/dbraw/zinc/30/18/24/358301824.db2.gz NTMWLHSNJBYRKH-UHFFFAOYSA-N 1 3 324.381 1.139 20 5 DDBDHO Cn1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603429045 359635105 /nfs/dbraw/zinc/63/51/05/359635105.db2.gz LIJUMOIRINNHBR-CYBMUJFWSA-N 1 3 307.398 1.540 20 5 DDBDHO Cc1c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261643517 407565949 /nfs/dbraw/zinc/56/59/49/407565949.db2.gz DOFDTFVXJQWJBS-CQSZACIVSA-N 1 3 320.393 1.190 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442761769 420709354 /nfs/dbraw/zinc/70/93/54/420709354.db2.gz YPYDSMJOHYAEEH-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935842 705929886 /nfs/dbraw/zinc/92/98/86/705929886.db2.gz RSPZKJAHXJSICT-FWIFWCIWSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935842 705929889 /nfs/dbraw/zinc/92/98/89/705929889.db2.gz RSPZKJAHXJSICT-FWIFWCIWSA-N 1 3 305.382 1.711 20 5 DDBDHO CC[NH+](CC)CCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006754 762174672 /nfs/dbraw/zinc/17/46/72/762174672.db2.gz JIDPDCHPXWQSOA-HZPDHXFCSA-N 1 3 312.458 1.391 20 5 DDBDHO CCC[N@H+](C)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001148570440 773529975 /nfs/dbraw/zinc/52/99/75/773529975.db2.gz DRPIGVPHWONPIJ-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CCC[N@@H+](C)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001148570440 773529977 /nfs/dbraw/zinc/52/99/77/773529977.db2.gz DRPIGVPHWONPIJ-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CC[NH+](C)C)CC1 ZINC000602761885 359172918 /nfs/dbraw/zinc/17/29/18/359172918.db2.gz BSCSFQOTZQSDQB-UHFFFAOYSA-N 1 3 309.414 1.763 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CNCCCO2)n1 ZINC000423493214 420062453 /nfs/dbraw/zinc/06/24/53/420062453.db2.gz PPHYMRREQARMEF-MGPQQGTHSA-N 1 3 323.397 1.243 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442761771 420709016 /nfs/dbraw/zinc/70/90/16/420709016.db2.gz YPYDSMJOHYAEEH-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000923518332 714387667 /nfs/dbraw/zinc/38/76/67/714387667.db2.gz KWRNBRLIQVFBTG-QWHCGFSZSA-N 1 3 318.377 1.465 20 5 DDBDHO CN1CCN(C(=[NH2+])Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001168735875 748437704 /nfs/dbraw/zinc/43/77/04/748437704.db2.gz VCHNJSOQWAVLDP-UHFFFAOYSA-N 1 3 318.381 1.463 20 5 DDBDHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171758336 776447653 /nfs/dbraw/zinc/44/76/53/776447653.db2.gz YAHNXSLVHSHXKB-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC13CC[NH2+]CC3)OCCO2 ZINC000591281822 355277732 /nfs/dbraw/zinc/27/77/32/355277732.db2.gz MITSDTBVXPISSH-HNNXBMFYSA-N 1 3 319.361 1.598 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000261724694 407592525 /nfs/dbraw/zinc/59/25/25/407592525.db2.gz JMNDAIHRUPSUIH-MRXNPFEDSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000261724694 407592531 /nfs/dbraw/zinc/59/25/31/407592531.db2.gz JMNDAIHRUPSUIH-MRXNPFEDSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000261724694 407592539 /nfs/dbraw/zinc/59/25/39/407592539.db2.gz JMNDAIHRUPSUIH-MRXNPFEDSA-N 1 3 320.393 1.903 20 5 DDBDHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414849761 419840224 /nfs/dbraw/zinc/84/02/24/419840224.db2.gz YNMSCLPCKPWSIP-NWDGAFQWSA-N 1 3 308.382 1.757 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414948173 419887485 /nfs/dbraw/zinc/88/74/85/419887485.db2.gz XWMKGLSEEIGUCZ-ZOWXZIJZSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414948173 419887491 /nfs/dbraw/zinc/88/74/91/419887491.db2.gz XWMKGLSEEIGUCZ-ZOWXZIJZSA-N 1 3 320.393 1.900 20 5 DDBDHO COc1ccc(NC(=O)CCN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430929006 420210328 /nfs/dbraw/zinc/21/03/28/420210328.db2.gz MOGXUJSCGSPVSV-NSHDSACASA-N 1 3 322.365 1.213 20 5 DDBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC([NH3+])C1 ZINC000420340240 420221169 /nfs/dbraw/zinc/22/11/69/420221169.db2.gz TXFAXRYBDSJVRH-UHFFFAOYSA-N 1 3 320.349 1.314 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH3+])C1CC1 ZINC000414798991 533689951 /nfs/dbraw/zinc/68/99/51/533689951.db2.gz CXHDBHARIOVZSI-YGRLFVJLSA-N 1 3 306.366 1.639 20 5 DDBDHO CC[NH+](CC)CCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006752 762175107 /nfs/dbraw/zinc/17/51/07/762175107.db2.gz JIDPDCHPXWQSOA-CVEARBPZSA-N 1 3 312.458 1.391 20 5 DDBDHO CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489471 355598404 /nfs/dbraw/zinc/59/84/04/355598404.db2.gz VZXGULYJPXEOMU-WFASDCNBSA-N 1 3 320.393 1.983 20 5 DDBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423017186 227313425 /nfs/dbraw/zinc/31/34/25/227313425.db2.gz VSXPFDVQGSYZBD-BRWVUGGUSA-N 1 3 319.405 1.884 20 5 DDBDHO [NH3+]C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420328730 420212016 /nfs/dbraw/zinc/21/20/16/420212016.db2.gz MXDIODHGKQLLPH-HNNXBMFYSA-N 1 3 319.405 1.825 20 5 DDBDHO CCN1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126192 /nfs/dbraw/zinc/12/61/92/271126192.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 1 3 322.409 1.561 20 5 DDBDHO CCN1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126194 /nfs/dbraw/zinc/12/61/94/271126194.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 1 3 322.409 1.561 20 5 DDBDHO COc1c([O-])ccc(C[NH2+]CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892944565 710530067 /nfs/dbraw/zinc/53/00/67/710530067.db2.gz SHPLZHHUPYODNW-UHFFFAOYSA-N 1 3 309.366 1.740 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505953 714383670 /nfs/dbraw/zinc/38/36/70/714383670.db2.gz DUWKZXOFTITZTH-AWEZNQCLSA-N 1 3 321.425 1.893 20 5 DDBDHO Cc1cc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc[nH+]1 ZINC001169057993 762211842 /nfs/dbraw/zinc/21/18/42/762211842.db2.gz ZYKJGWPPLHZHNB-HUUCEWRRSA-N 1 3 304.394 1.957 20 5 DDBDHO CC[NH+](CC)CCNC(=N)Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001163125426 868128433 /nfs/dbraw/zinc/12/84/33/868128433.db2.gz BSMVOCRNHXPWLC-UHFFFAOYSA-N 1 3 310.358 1.276 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592983073 355762679 /nfs/dbraw/zinc/76/26/79/355762679.db2.gz PHCSGVWTPOCJSQ-ZIAGYGMSSA-N 1 3 307.398 1.503 20 5 DDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000351495711 284344207 /nfs/dbraw/zinc/34/42/07/284344207.db2.gz PYRQOGOCZUZIBL-TUKIKUTGSA-N 1 3 318.377 1.593 20 5 DDBDHO C[NH+]1CCC(N2CCC(Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000340157699 410715372 /nfs/dbraw/zinc/71/53/72/410715372.db2.gz ZZPRYWRSPRICII-UHFFFAOYSA-N 1 3 319.409 1.382 20 5 DDBDHO Cc1c(NC(=O)CCN2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430633676 420163856 /nfs/dbraw/zinc/16/38/56/420163856.db2.gz AJPQLPDSMDZYHE-CYBMUJFWSA-N 1 3 320.393 1.903 20 5 DDBDHO C[NH+]1CCC(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000894056639 710946095 /nfs/dbraw/zinc/94/60/95/710946095.db2.gz MSCOZOYOTXVUCA-UHFFFAOYSA-N 1 3 303.366 1.903 20 5 DDBDHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507876 781992652 /nfs/dbraw/zinc/99/26/52/781992652.db2.gz MCCBQCXNOWAOSR-BBRMVZONSA-N 1 3 307.394 1.950 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351851638 410290526 /nfs/dbraw/zinc/29/05/26/410290526.db2.gz LRHNAMISFYWDLD-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO Cc1c(NC(=O)CCN2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442767112 420711018 /nfs/dbraw/zinc/71/10/18/420711018.db2.gz MBTKIHXGUKKKBQ-WCQYABFASA-N 1 3 320.393 1.901 20 5 DDBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923355685 714325482 /nfs/dbraw/zinc/32/54/82/714325482.db2.gz AHDMAOFUBTUPEI-NVXWUHKLSA-N 1 3 319.405 1.950 20 5 DDBDHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000923452141 714360364 /nfs/dbraw/zinc/36/03/64/714360364.db2.gz FXWGQSJXIUOKLN-HNNXBMFYSA-N 1 3 305.378 1.925 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505957 714383739 /nfs/dbraw/zinc/38/37/39/714383739.db2.gz DUWKZXOFTITZTH-CQSZACIVSA-N 1 3 321.425 1.893 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[C@H](N)C(N)=O ZINC001246413071 892610068 /nfs/dbraw/zinc/61/00/68/892610068.db2.gz FSSMBFYFDWJBEF-YPMHNXCESA-N 1 3 308.382 1.098 20 5 DDBDHO [NH3+]CCCCN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254588390 896518474 /nfs/dbraw/zinc/51/84/74/896518474.db2.gz FEWJEZLHUADXCU-QGZVFWFLSA-N 1 3 318.421 1.419 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000430966982 420229467 /nfs/dbraw/zinc/22/94/67/420229467.db2.gz QSKQIVFRZXVKSP-LBPRGKRZSA-N 1 3 306.366 1.512 20 5 DDBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923355686 714325462 /nfs/dbraw/zinc/32/54/62/714325462.db2.gz AHDMAOFUBTUPEI-RDJZCZTQSA-N 1 3 319.405 1.950 20 5 DDBDHO CN1CCN(C(=[NH2+])Nc2ncc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001168735015 748384342 /nfs/dbraw/zinc/38/43/42/748384342.db2.gz FVOFVRPOCALLMK-UHFFFAOYSA-N 1 3 320.397 1.881 20 5 DDBDHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000591281641 355276989 /nfs/dbraw/zinc/27/69/89/355276989.db2.gz HLPDWTOVCGOORE-HNNXBMFYSA-N 1 3 321.377 1.844 20 5 DDBDHO COc1ccc(OCC[NH2+][C@H]2C[C@H](N)C2(C)C)c([N+](=O)[O-])c1 ZINC000603430957 359634938 /nfs/dbraw/zinc/63/49/38/359634938.db2.gz DDEHABNBOZKNCT-KBPBESRZSA-N 1 3 309.366 1.698 20 5 DDBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCCO1 ZINC000415030499 419918389 /nfs/dbraw/zinc/91/83/89/419918389.db2.gz CMKSRSCDGLUONV-ZFWWWQNUSA-N 1 3 307.394 1.884 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000423212739 419987198 /nfs/dbraw/zinc/98/71/98/419987198.db2.gz MFKZVYODOCUMOG-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCNC1 ZINC000423212739 419987202 /nfs/dbraw/zinc/98/72/02/419987202.db2.gz MFKZVYODOCUMOG-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001157097403 863573229 /nfs/dbraw/zinc/57/32/29/863573229.db2.gz VHZPRXJHBDLGDB-UHFFFAOYSA-N 1 3 302.338 1.818 20 5 DDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000351481245 284333521 /nfs/dbraw/zinc/33/35/21/284333521.db2.gz WSMVCSIUUKATAH-YNEHKIRRSA-N 1 3 318.377 1.593 20 5 DDBDHO CC[NH+]1CCC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579943453 422858431 /nfs/dbraw/zinc/85/84/31/422858431.db2.gz LHHUVCJBZPHKTK-AWEZNQCLSA-N 1 3 323.393 1.408 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000414777457 419825717 /nfs/dbraw/zinc/82/57/17/419825717.db2.gz GUHFKRVJSNFIHI-NSHDSACASA-N 1 3 306.366 1.654 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCNCC1 ZINC000414777457 419825726 /nfs/dbraw/zinc/82/57/26/419825726.db2.gz GUHFKRVJSNFIHI-NSHDSACASA-N 1 3 306.366 1.654 20 5 DDBDHO C[NH+](C)CC1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931486128 714109176 /nfs/dbraw/zinc/10/91/76/714109176.db2.gz WMLMAQPYKIYWSL-UHFFFAOYSA-N 1 3 307.394 1.526 20 5 DDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351481242 284333429 /nfs/dbraw/zinc/33/34/29/284333429.db2.gz WSMVCSIUUKATAH-FRRDWIJNSA-N 1 3 318.377 1.593 20 5 DDBDHO C[NH+]1CCC2(CCCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000367202145 418569116 /nfs/dbraw/zinc/56/91/16/418569116.db2.gz YCUWHNZFHUXSSK-UHFFFAOYSA-N 1 3 307.398 1.599 20 5 DDBDHO COc1cc(CNCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414829979 419832018 /nfs/dbraw/zinc/83/20/18/419832018.db2.gz LKUICTYAJPZEJB-LLVKDONJSA-N 1 3 309.366 1.701 20 5 DDBDHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430624177 420162845 /nfs/dbraw/zinc/16/28/45/420162845.db2.gz ILOFWGPCZGKQMZ-GFCCVEGCSA-N 1 3 306.366 1.594 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351404 420228661 /nfs/dbraw/zinc/22/86/61/420228661.db2.gz WYGSUEROXXCTFI-GDBMZVCRSA-N 1 3 318.421 1.944 20 5 DDBDHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776198 420713791 /nfs/dbraw/zinc/71/37/91/420713791.db2.gz BSYJACOOLZQXAA-NWDGAFQWSA-N 1 3 306.366 1.593 20 5 DDBDHO CN1CCC(N(c2cc([N+](=O)[O-])ccn2)C2CC[NH2+]CC2)CC1 ZINC001158575349 864740982 /nfs/dbraw/zinc/74/09/82/864740982.db2.gz MTNZEKXPWWLNOV-UHFFFAOYSA-N 1 3 319.409 1.642 20 5 DDBDHO CC[N@@H+]1CC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189731 873640162 /nfs/dbraw/zinc/64/01/62/873640162.db2.gz AMNJTTNWCKTIHE-UKRRQHHQSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189731 873640168 /nfs/dbraw/zinc/64/01/68/873640168.db2.gz AMNJTTNWCKTIHE-UKRRQHHQSA-N 1 3 323.393 1.266 20 5 DDBDHO CCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189731 873640174 /nfs/dbraw/zinc/64/01/74/873640174.db2.gz AMNJTTNWCKTIHE-UKRRQHHQSA-N 1 3 323.393 1.266 20 5 DDBDHO Cc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347088597 283173449 /nfs/dbraw/zinc/17/34/49/283173449.db2.gz DBWDUYLYFRYCDN-AWEZNQCLSA-N 1 3 320.393 1.190 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351851636 410288818 /nfs/dbraw/zinc/28/88/18/410288818.db2.gz LRHNAMISFYWDLD-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO COc1cc(CN[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415037465 419919930 /nfs/dbraw/zinc/91/99/30/419919930.db2.gz MLDQJVGMJJWQDV-JQWIXIFHSA-N 1 3 309.366 1.829 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CN ZINC000430574943 420143112 /nfs/dbraw/zinc/14/31/12/420143112.db2.gz PJHVPJYDXAUDMA-CYBMUJFWSA-N 1 3 306.366 1.655 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1CN ZINC000430574943 420143120 /nfs/dbraw/zinc/14/31/20/420143120.db2.gz PJHVPJYDXAUDMA-CYBMUJFWSA-N 1 3 306.366 1.655 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000430613519 420157899 /nfs/dbraw/zinc/15/78/99/420157899.db2.gz WCTZAQFPYXCTDC-CYBMUJFWSA-N 1 3 320.393 1.903 20 5 DDBDHO COc1cc(CN[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415037467 533906757 /nfs/dbraw/zinc/90/67/57/533906757.db2.gz MLDQJVGMJJWQDV-PWSUYJOCSA-N 1 3 309.366 1.829 20 5 DDBDHO C[NH+]1CCC(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001133285864 769665913 /nfs/dbraw/zinc/66/59/13/769665913.db2.gz LVLVXRRFEZZYTA-UHFFFAOYSA-N 1 3 320.393 1.142 20 5 DDBDHO COc1cc(N2CCC([NH2+]C[C@@H](C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256101623 897284403 /nfs/dbraw/zinc/28/44/03/897284403.db2.gz NXUMZVSVAYNXBQ-LBPRGKRZSA-N 1 3 322.409 1.757 20 5 DDBDHO C[C@@H](CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001262565793 900248907 /nfs/dbraw/zinc/24/89/07/900248907.db2.gz WHSWYUHTGUQKKH-LBPRGKRZSA-N 1 3 308.382 1.853 20 5 DDBDHO C[C@@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C ZINC001262565793 900248919 /nfs/dbraw/zinc/24/89/19/900248919.db2.gz WHSWYUHTGUQKKH-LBPRGKRZSA-N 1 3 308.382 1.853 20 5 DDBDHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861983 410302647 /nfs/dbraw/zinc/30/26/47/410302647.db2.gz MUSIOBQQRLQKGG-NEPJUHHUSA-N 1 3 306.366 1.593 20 5 DDBDHO CC1(C)C[C@H](NCCN2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423211455 419986970 /nfs/dbraw/zinc/98/69/70/419986970.db2.gz YFZIQJJHYVQLBT-INIZCTEOSA-N 1 3 318.421 1.812 20 5 DDBDHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000519643609 421713328 /nfs/dbraw/zinc/71/33/28/421713328.db2.gz WSUGYLISVYPOJL-OLZOCXBDSA-N 1 3 320.393 1.996 20 5 DDBDHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643609 421713330 /nfs/dbraw/zinc/71/33/30/421713330.db2.gz WSUGYLISVYPOJL-OLZOCXBDSA-N 1 3 320.393 1.996 20 5 DDBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397765 297107709 /nfs/dbraw/zinc/10/77/09/297107709.db2.gz OLGZZMACYXHYQQ-RQJABVFESA-N 1 3 307.398 1.863 20 5 DDBDHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397765 297107711 /nfs/dbraw/zinc/10/77/11/297107711.db2.gz OLGZZMACYXHYQQ-RQJABVFESA-N 1 3 307.398 1.863 20 5 DDBDHO CC[NH2+]CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923294618 714300741 /nfs/dbraw/zinc/30/07/41/714300741.db2.gz KKTTWHTYXAAGFT-MRXNPFEDSA-N 1 3 307.394 1.950 20 5 DDBDHO [NH3+]C1(Cc2ccccn2)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168994610 762167930 /nfs/dbraw/zinc/16/79/30/762167930.db2.gz QINFWDUSKWZUHZ-GOEBONIOSA-N 1 3 318.421 1.863 20 5 DDBDHO [NH3+]C1(Cc2cccnc2)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000854 762171601 /nfs/dbraw/zinc/17/16/01/762171601.db2.gz YVUUNTXZEQHQLX-GOEBONIOSA-N 1 3 318.421 1.863 20 5 DDBDHO C[NH2+][C@@H](C)CCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001118058172 781010609 /nfs/dbraw/zinc/01/06/09/781010609.db2.gz WTUJAFLXQUMLKV-NWDGAFQWSA-N 1 3 308.382 1.900 20 5 DDBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCN(C)CC1 ZINC000269002443 207158227 /nfs/dbraw/zinc/15/82/27/207158227.db2.gz POFQLFKHQZCDJJ-AWEZNQCLSA-N 1 3 321.421 1.962 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000573855185 308253471 /nfs/dbraw/zinc/25/34/71/308253471.db2.gz WXSCDRLFTOXLIP-HIFRSBDPSA-N 1 3 323.397 1.010 20 5 DDBDHO CC(C)N1CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877525246 706132203 /nfs/dbraw/zinc/13/22/03/706132203.db2.gz WQZUZEBFGKKWMX-HSBZDZAISA-N 1 3 307.398 1.815 20 5 DDBDHO [NH3+]C1(Cc2ccccn2)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168994608 762167652 /nfs/dbraw/zinc/16/76/52/762167652.db2.gz QINFWDUSKWZUHZ-GDBMZVCRSA-N 1 3 318.421 1.863 20 5 DDBDHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171757952 776447888 /nfs/dbraw/zinc/44/78/88/776447888.db2.gz QKYJPSWTVTUKCF-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CN(CCCC[NH+]1CCCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000603112120 359409272 /nfs/dbraw/zinc/40/92/72/359409272.db2.gz TVMZVHVAXSQRGR-UHFFFAOYSA-N 1 3 309.414 1.989 20 5 DDBDHO CN(C)CC[N@H+](C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000289440854 409272705 /nfs/dbraw/zinc/27/27/05/409272705.db2.gz OKXUBZFCODPLCT-UHFFFAOYSA-N 1 3 308.426 1.910 20 5 DDBDHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000289440854 409272707 /nfs/dbraw/zinc/27/27/07/409272707.db2.gz OKXUBZFCODPLCT-UHFFFAOYSA-N 1 3 308.426 1.910 20 5 DDBDHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423285326 420003775 /nfs/dbraw/zinc/00/37/75/420003775.db2.gz ZIXDBLGRXWPJOR-NWDGAFQWSA-N 1 3 308.382 1.757 20 5 DDBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397767 288323530 /nfs/dbraw/zinc/32/35/30/288323530.db2.gz OLGZZMACYXHYQQ-ZOBORPQBSA-N 1 3 307.398 1.863 20 5 DDBDHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397767 288323532 /nfs/dbraw/zinc/32/35/32/288323532.db2.gz OLGZZMACYXHYQQ-ZOBORPQBSA-N 1 3 307.398 1.863 20 5 DDBDHO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CN)CCOCC1 ZINC000903807525 711286712 /nfs/dbraw/zinc/28/67/12/711286712.db2.gz HJNUQTINRPRRCN-UHFFFAOYSA-N 1 3 309.366 1.413 20 5 DDBDHO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CN)CCOCC1 ZINC000903807525 711286713 /nfs/dbraw/zinc/28/67/13/711286713.db2.gz HJNUQTINRPRRCN-UHFFFAOYSA-N 1 3 309.366 1.413 20 5 DDBDHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000923458773 714362588 /nfs/dbraw/zinc/36/25/88/714362588.db2.gz SWYPKLKSUXTBNR-OAHLLOKOSA-N 1 3 305.378 1.925 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167877644 739165943 /nfs/dbraw/zinc/16/59/43/739165943.db2.gz IFJBCXKTXKQJOY-UHFFFAOYSA-N 1 3 302.338 1.818 20 5 DDBDHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001168756213 750692466 /nfs/dbraw/zinc/69/24/66/750692466.db2.gz WUXJMAPLXKSXNN-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCCN1CC[NH2+]CC1 ZINC000414787093 224395099 /nfs/dbraw/zinc/39/50/99/224395099.db2.gz YOKIMDDQSBRRRU-UHFFFAOYSA-N 1 3 322.409 1.378 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567345835 308078741 /nfs/dbraw/zinc/07/87/41/308078741.db2.gz VTVMCALZTVGXPL-UMVBOHGHSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345835 308078743 /nfs/dbraw/zinc/07/87/43/308078743.db2.gz VTVMCALZTVGXPL-UMVBOHGHSA-N 1 3 323.393 1.407 20 5 DDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877073621 705977086 /nfs/dbraw/zinc/97/70/86/705977086.db2.gz OKHLJZQPYKWHPJ-RJZJGCCBSA-N 1 3 307.398 1.957 20 5 DDBDHO CCOC(=O)c1ccc(NC(=N)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167881941 739175145 /nfs/dbraw/zinc/17/51/45/739175145.db2.gz NFTGMIMUTURLGV-UHFFFAOYSA-N 1 3 323.353 1.447 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890104 356693713 /nfs/dbraw/zinc/69/37/13/356693713.db2.gz BRITYIBWQPUIBG-AWEZNQCLSA-N 1 3 305.378 1.590 20 5 DDBDHO O=[N+]([O-])c1cccnc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000415106575 285165959 /nfs/dbraw/zinc/16/59/59/285165959.db2.gz NZZPYJUBNMRMMR-UHFFFAOYSA-N 1 3 305.382 1.111 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CNCCCO2)n1 ZINC000423493212 285168538 /nfs/dbraw/zinc/16/85/38/285168538.db2.gz PPHYMRREQARMEF-HZSPNIEDSA-N 1 3 323.397 1.243 20 5 DDBDHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847720 410284914 /nfs/dbraw/zinc/28/49/14/410284914.db2.gz BCAGRGVBRNLTPK-RYUDHWBXSA-N 1 3 306.366 1.593 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414948171 419887372 /nfs/dbraw/zinc/88/73/72/419887372.db2.gz XWMKGLSEEIGUCZ-LALPHHSUSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414948171 419887377 /nfs/dbraw/zinc/88/73/77/419887377.db2.gz XWMKGLSEEIGUCZ-LALPHHSUSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H]1C[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000415110871 279947784 /nfs/dbraw/zinc/94/77/84/279947784.db2.gz SZAHNBCXDPCWNI-KBPBESRZSA-N 1 3 319.409 1.500 20 5 DDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000843061710 702810667 /nfs/dbraw/zinc/81/06/67/702810667.db2.gz HKAGICAJLDDELP-JKSUJKDBSA-N 1 3 323.393 1.065 20 5 DDBDHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362906 702866903 /nfs/dbraw/zinc/86/69/03/702866903.db2.gz UNHAUDYIRSHNQE-GHMZBOCLSA-N 1 3 324.356 1.732 20 5 DDBDHO CC[N@@H+]1CC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189733 873639911 /nfs/dbraw/zinc/63/99/11/873639911.db2.gz AMNJTTNWCKTIHE-ZFWWWQNUSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189733 873639914 /nfs/dbraw/zinc/63/99/14/873639914.db2.gz AMNJTTNWCKTIHE-ZFWWWQNUSA-N 1 3 323.393 1.266 20 5 DDBDHO CCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189733 873639917 /nfs/dbraw/zinc/63/99/17/873639917.db2.gz AMNJTTNWCKTIHE-ZFWWWQNUSA-N 1 3 323.393 1.266 20 5 DDBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000569976828 304389052 /nfs/dbraw/zinc/38/90/52/304389052.db2.gz ASWTWFJXHPXUEN-GJZGRUSLSA-N 1 3 323.397 1.010 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])C1CC1 ZINC000423282134 420001941 /nfs/dbraw/zinc/00/19/41/420001941.db2.gz UZEDRKKAKSXGPY-IINYFYTJSA-N 1 3 306.366 1.639 20 5 DDBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430560234 420138307 /nfs/dbraw/zinc/13/83/07/420138307.db2.gz GIAVWCDLLGTCNX-UHFFFAOYSA-N 1 3 308.382 1.840 20 5 DDBDHO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)CN ZINC000430560234 420138309 /nfs/dbraw/zinc/13/83/09/420138309.db2.gz GIAVWCDLLGTCNX-UHFFFAOYSA-N 1 3 308.382 1.840 20 5 DDBDHO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)CN ZINC000430560234 420138311 /nfs/dbraw/zinc/13/83/11/420138311.db2.gz GIAVWCDLLGTCNX-UHFFFAOYSA-N 1 3 308.382 1.840 20 5 DDBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261653166 698431149 /nfs/dbraw/zinc/43/11/49/698431149.db2.gz FMYAGBAYEAEZHF-TZMCWYRMSA-N 1 3 320.393 1.443 20 5 DDBDHO Cc1cc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc[nH+]1 ZINC001169057991 762212024 /nfs/dbraw/zinc/21/20/24/762212024.db2.gz ZYKJGWPPLHZHNB-CABCVRRESA-N 1 3 304.394 1.957 20 5 DDBDHO C[NH+](C)CCOc1cc(-n2cnc(CN)c2)ccc1[N+](=O)[O-] ZINC001162304790 867429617 /nfs/dbraw/zinc/42/96/17/867429617.db2.gz ZZWRTESXPJJBSK-UHFFFAOYSA-N 1 3 305.338 1.180 20 5 DDBDHO C[C@@H](CN(C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286565735 219057494 /nfs/dbraw/zinc/05/74/94/219057494.db2.gz XEOWVXGKGISIRC-RYUDHWBXSA-N 1 3 324.429 1.714 20 5 DDBDHO O=[N+]([O-])c1ccn(CCN2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000595901281 356698128 /nfs/dbraw/zinc/69/81/28/356698128.db2.gz USBHEDLSSXYQTK-CQSZACIVSA-N 1 3 307.398 1.503 20 5 DDBDHO Cc1c(NC(=O)CCN(C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430670185 420173195 /nfs/dbraw/zinc/17/31/95/420173195.db2.gz VMUCGMDFDMVBMP-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO Cc1c(NC(=O)CC[N@@H+](C)C2CCNCC2)cccc1[N+](=O)[O-] ZINC000430670185 420173199 /nfs/dbraw/zinc/17/31/99/420173199.db2.gz VMUCGMDFDMVBMP-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO Cc1c(NC(=O)CC[N@H+](C)C2CCNCC2)cccc1[N+](=O)[O-] ZINC000430670185 420173204 /nfs/dbraw/zinc/17/32/04/420173204.db2.gz VMUCGMDFDMVBMP-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000430967406 420227701 /nfs/dbraw/zinc/22/77/01/420227701.db2.gz SRMNTPBCLODHOF-NSHDSACASA-N 1 3 322.365 1.213 20 5 DDBDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877073619 705976952 /nfs/dbraw/zinc/97/69/52/705976952.db2.gz OKHLJZQPYKWHPJ-AHPWVWPOSA-N 1 3 307.398 1.957 20 5 DDBDHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001168755058 750495601 /nfs/dbraw/zinc/49/56/01/750495601.db2.gz GWGSNTFHLNNNFH-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001168999010 762170611 /nfs/dbraw/zinc/17/06/11/762170611.db2.gz QZDCGUCUHGMVKC-KLHDSHLOSA-N 1 3 311.426 1.665 20 5 DDBDHO C[NH2+][C@H](C)CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001348851487 874830717 /nfs/dbraw/zinc/83/07/17/874830717.db2.gz BCBQMBVVTRVOIX-NEPJUHHUSA-N 1 3 308.382 1.900 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731309 355979083 /nfs/dbraw/zinc/97/90/83/355979083.db2.gz WCHFYTQKAFFCGX-YUELXQCFSA-N 1 3 323.397 1.152 20 5 DDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000351481243 284333443 /nfs/dbraw/zinc/33/34/43/284333443.db2.gz WSMVCSIUUKATAH-JHJVBQTASA-N 1 3 318.377 1.593 20 5 DDBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261846259 407637858 /nfs/dbraw/zinc/63/78/58/407637858.db2.gz ZFQDQPMLGOXDSQ-OLZOCXBDSA-N 1 3 320.393 1.443 20 5 DDBDHO NC(=O)c1ccc(CN2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261954473 407687204 /nfs/dbraw/zinc/68/72/04/407687204.db2.gz NRVTZCZGEQFDHV-LLVKDONJSA-N 1 3 306.366 1.255 20 5 DDBDHO C[C@H](CN(C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000343799417 418633089 /nfs/dbraw/zinc/63/30/89/418633089.db2.gz XEOWVXGKGISIRC-NWDGAFQWSA-N 1 3 324.429 1.714 20 5 DDBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000420266032 420172396 /nfs/dbraw/zinc/17/23/96/420172396.db2.gz CLEBTZIHUDUKSL-UHFFFAOYSA-N 1 3 306.366 1.607 20 5 DDBDHO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000420266032 420172399 /nfs/dbraw/zinc/17/23/99/420172399.db2.gz CLEBTZIHUDUKSL-UHFFFAOYSA-N 1 3 306.366 1.607 20 5 DDBDHO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000420266032 420172407 /nfs/dbraw/zinc/17/24/07/420172407.db2.gz CLEBTZIHUDUKSL-UHFFFAOYSA-N 1 3 306.366 1.607 20 5 DDBDHO C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420409778 420268472 /nfs/dbraw/zinc/26/84/72/420268472.db2.gz QWAJDVOFQSFSSQ-CHWSQXEVSA-N 1 3 320.393 1.840 20 5 DDBDHO C[NH+](C)CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750041110 700199668 /nfs/dbraw/zinc/19/96/68/700199668.db2.gz RMWJJWJJUZIBDL-MRXNPFEDSA-N 1 3 307.394 1.902 20 5 DDBDHO O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903756295 711269068 /nfs/dbraw/zinc/26/90/68/711269068.db2.gz PVNNJCSGDMJJED-CYBMUJFWSA-N 1 3 307.398 1.818 20 5 DDBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC001169040272 762194716 /nfs/dbraw/zinc/19/47/16/762194716.db2.gz ZGXHYYIGODPRGL-HOTGVXAUSA-N 1 3 310.442 1.145 20 5 DDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089490 892412581 /nfs/dbraw/zinc/41/25/81/892412581.db2.gz QSVHHPNWYITCTO-BYCMXARLSA-N 1 3 311.357 1.178 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000595901625 356697770 /nfs/dbraw/zinc/69/77/70/356697770.db2.gz ZGWKFHQCFVKMOC-CQSZACIVSA-N 1 3 307.398 1.503 20 5 DDBDHO COc1ccc(OCC[NH2+][C@@H]2C[C@@H](N)C2(C)C)c([N+](=O)[O-])c1 ZINC000603430963 359635862 /nfs/dbraw/zinc/63/58/62/359635862.db2.gz DDEHABNBOZKNCT-ZIAGYGMSSA-N 1 3 309.366 1.698 20 5 DDBDHO C[C@@H]1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000415110875 419949568 /nfs/dbraw/zinc/94/95/68/419949568.db2.gz SZAHNBCXDPCWNI-ZIAGYGMSSA-N 1 3 319.409 1.500 20 5 DDBDHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573984 420142325 /nfs/dbraw/zinc/14/23/25/420142325.db2.gz RRAIQXGFJNZFBM-CHWSQXEVSA-N 1 3 320.393 1.983 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCN(C)CC1 ZINC000449160381 420963240 /nfs/dbraw/zinc/96/32/40/420963240.db2.gz AZINCVDDUNSRRY-CYBMUJFWSA-N 1 3 307.394 1.572 20 5 DDBDHO CN1CCC[C@@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685059 301212575 /nfs/dbraw/zinc/21/25/75/301212575.db2.gz ZJRIUZJZJFHHPP-CYBMUJFWSA-N 1 3 307.398 1.913 20 5 DDBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261653161 698431265 /nfs/dbraw/zinc/43/12/65/698431265.db2.gz FMYAGBAYEAEZHF-OCCSQVGLSA-N 1 3 320.393 1.443 20 5 DDBDHO C[NH2+]CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923328790 714316098 /nfs/dbraw/zinc/31/60/98/714316098.db2.gz VMCLCEKABCFQEK-INIZCTEOSA-N 1 3 307.394 1.950 20 5 DDBDHO COC(=O)c1ccc([N+](=O)[O-])c(NC(=N)NCCCC[NH3+])c1 ZINC001167884336 739177879 /nfs/dbraw/zinc/17/78/79/739177879.db2.gz VHHGMKLXZWPADF-UHFFFAOYSA-N 1 3 309.326 1.057 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000592472263 355592555 /nfs/dbraw/zinc/59/25/55/355592555.db2.gz PLGMWZAPRUGUOQ-CQSZACIVSA-N 1 3 306.410 1.801 20 5 DDBDHO CC(C)c1ccc(CNCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414869546 419850780 /nfs/dbraw/zinc/85/07/80/419850780.db2.gz RDVNTAHTUGMCSV-UHFFFAOYSA-N 1 3 306.410 1.713 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423212736 419987144 /nfs/dbraw/zinc/98/71/44/419987144.db2.gz MFKZVYODOCUMOG-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423212736 419987150 /nfs/dbraw/zinc/98/71/50/419987150.db2.gz MFKZVYODOCUMOG-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CN)CCOCC1 ZINC000903807697 711286702 /nfs/dbraw/zinc/28/67/02/711286702.db2.gz PRPURGICPODTHN-UHFFFAOYSA-N 1 3 309.366 1.413 20 5 DDBDHO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CN)CCOCC1 ZINC000903807697 711286704 /nfs/dbraw/zinc/28/67/04/711286704.db2.gz PRPURGICPODTHN-UHFFFAOYSA-N 1 3 309.366 1.413 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731305 355978716 /nfs/dbraw/zinc/97/87/16/355978716.db2.gz WCHFYTQKAFFCGX-SNPRPXQTSA-N 1 3 323.397 1.152 20 5 DDBDHO CC[NH+]1CCC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579943454 422859122 /nfs/dbraw/zinc/85/91/22/422859122.db2.gz LHHUVCJBZPHKTK-CQSZACIVSA-N 1 3 323.393 1.408 20 5 DDBDHO O=[N+]([O-])c1cccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420318207 420203309 /nfs/dbraw/zinc/20/33/09/420203309.db2.gz NUXPHRMFFNQIIE-CQSZACIVSA-N 1 3 304.394 1.716 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000430966981 420229254 /nfs/dbraw/zinc/22/92/54/420229254.db2.gz QSKQIVFRZXVKSP-GFCCVEGCSA-N 1 3 306.366 1.512 20 5 DDBDHO C[NH+](C)CCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133040577 769426110 /nfs/dbraw/zinc/42/61/10/769426110.db2.gz XPHOUOMPDGLBIR-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO N[C@H](CCC[NH3+])NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001159786389 865523486 /nfs/dbraw/zinc/52/34/86/865523486.db2.gz ZFFXMSHEZDCVOA-QMMMGPOBSA-N 1 3 309.704 1.306 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1CNCC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000591275520 355275489 /nfs/dbraw/zinc/27/54/89/355275489.db2.gz XLDQTPSETSHFAP-NSHDSACASA-N 1 3 307.350 1.455 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cn1 ZINC000057871209 407218369 /nfs/dbraw/zinc/21/83/69/407218369.db2.gz ZPUMGIVQGJGIRJ-UHFFFAOYSA-N 1 3 305.382 1.111 20 5 DDBDHO COc1ccc(NC(=O)CCN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430929005 420211632 /nfs/dbraw/zinc/21/16/32/420211632.db2.gz MOGXUJSCGSPVSV-LLVKDONJSA-N 1 3 322.365 1.213 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442778364 420713983 /nfs/dbraw/zinc/71/39/83/420713983.db2.gz FZBSARZYGULONM-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO [NH3+]Cc1cccc2c1cnn2-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169191897 762275621 /nfs/dbraw/zinc/27/56/21/762275621.db2.gz JKXSTWXXZIAECO-UHFFFAOYSA-N 1 3 309.329 1.996 20 5 DDBDHO CC[N@@H+]1CC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570548 879104869 /nfs/dbraw/zinc/10/48/69/879104869.db2.gz MQJJLYASOSONOP-UONOGXRCSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570548 879104877 /nfs/dbraw/zinc/10/48/77/879104877.db2.gz MQJJLYASOSONOP-UONOGXRCSA-N 1 3 323.393 1.266 20 5 DDBDHO CCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570548 879104888 /nfs/dbraw/zinc/10/48/88/879104888.db2.gz MQJJLYASOSONOP-UONOGXRCSA-N 1 3 323.393 1.266 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592983070 355762805 /nfs/dbraw/zinc/76/28/05/355762805.db2.gz PHCSGVWTPOCJSQ-KBPBESRZSA-N 1 3 307.398 1.503 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351407 420228459 /nfs/dbraw/zinc/22/84/59/420228459.db2.gz WYGSUEROXXCTFI-ZBFHGGJFSA-N 1 3 318.421 1.944 20 5 DDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000430967405 420228519 /nfs/dbraw/zinc/22/85/19/420228519.db2.gz SRMNTPBCLODHOF-LLVKDONJSA-N 1 3 322.365 1.213 20 5 DDBDHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420365596 420239470 /nfs/dbraw/zinc/23/94/70/420239470.db2.gz QIPBNBUURZXXLB-CQSZACIVSA-N 1 3 320.393 1.901 20 5 DDBDHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420365596 420239473 /nfs/dbraw/zinc/23/94/73/420239473.db2.gz QIPBNBUURZXXLB-CQSZACIVSA-N 1 3 320.393 1.901 20 5 DDBDHO O=C(CCNCCC[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000518797689 421668122 /nfs/dbraw/zinc/66/81/22/421668122.db2.gz HEMGYRLPKANPGR-UHFFFAOYSA-N 1 3 320.393 1.999 20 5 DDBDHO O=C(CC[NH2+]CCCN1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000518797689 421668124 /nfs/dbraw/zinc/66/81/24/421668124.db2.gz HEMGYRLPKANPGR-UHFFFAOYSA-N 1 3 320.393 1.999 20 5 DDBDHO CC[N@H+](C)CCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001170210494 766170600 /nfs/dbraw/zinc/17/06/00/766170600.db2.gz AHUAYKFXRORVIM-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CC[N@@H+](C)CCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001170210494 766170603 /nfs/dbraw/zinc/17/06/03/766170603.db2.gz AHUAYKFXRORVIM-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO N[C@H](CCC[NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979659 877848791 /nfs/dbraw/zinc/84/87/91/877848791.db2.gz SVMRKVYZPCROPB-CYBMUJFWSA-N 1 3 309.373 1.788 20 5 DDBDHO [NH3+]C[C@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591281753 355277987 /nfs/dbraw/zinc/27/79/87/355277987.db2.gz BEFXHLYHWCVJFM-JQWIXIFHSA-N 1 3 307.350 1.583 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736105 355981079 /nfs/dbraw/zinc/98/10/79/355981079.db2.gz GIUBMONYPBBBLC-GZBFAFLISA-N 1 3 323.397 1.010 20 5 DDBDHO COc1ccc(OCC[NH2+][C@@H]2C[C@H](N)C2(C)C)c([N+](=O)[O-])c1 ZINC000603430960 359635289 /nfs/dbraw/zinc/63/52/89/359635289.db2.gz DDEHABNBOZKNCT-UONOGXRCSA-N 1 3 309.366 1.698 20 5 DDBDHO C[C@H](C[NH3+])CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414887124 419862276 /nfs/dbraw/zinc/86/22/76/419862276.db2.gz YTBJAQJHEZKQMQ-LLVKDONJSA-N 1 3 303.366 1.680 20 5 DDBDHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420301704 420191325 /nfs/dbraw/zinc/19/13/25/420191325.db2.gz IUFZPBOSIQMUFZ-OAHLLOKOSA-N 1 3 308.382 1.886 20 5 DDBDHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430639439 420167381 /nfs/dbraw/zinc/16/73/81/420167381.db2.gz FMTKPYOTNCNWKN-GFCCVEGCSA-N 1 3 306.366 1.594 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442761773 420709057 /nfs/dbraw/zinc/70/90/57/420709057.db2.gz YPYDSMJOHYAEEH-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000562743413 421409601 /nfs/dbraw/zinc/40/96/01/421409601.db2.gz VEZPKAWQRLHNDA-UONOGXRCSA-N 1 3 319.409 1.500 20 5 DDBDHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843348164 702863997 /nfs/dbraw/zinc/86/39/97/702863997.db2.gz ACHTXHSAUMQXGG-JTQLQIEISA-N 1 3 310.329 1.343 20 5 DDBDHO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN(C)C ZINC001335381623 868261546 /nfs/dbraw/zinc/26/15/46/868261546.db2.gz NXXIWIWTHJLCAG-GFCCVEGCSA-N 1 3 308.382 1.711 20 5 DDBDHO C[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC001335381623 868261561 /nfs/dbraw/zinc/26/15/61/868261561.db2.gz NXXIWIWTHJLCAG-GFCCVEGCSA-N 1 3 308.382 1.711 20 5 DDBDHO CN1CCC[C@H](C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550397 407170136 /nfs/dbraw/zinc/17/01/36/407170136.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 1 3 308.382 1.030 20 5 DDBDHO CN1CCC[C@H](C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550397 407170138 /nfs/dbraw/zinc/17/01/38/407170138.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 1 3 308.382 1.030 20 5 DDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000818972940 704039193 /nfs/dbraw/zinc/03/91/93/704039193.db2.gz PHWLLUZTRRYJAF-BLLLJJGKSA-N 1 3 305.378 1.702 20 5 DDBDHO C[C@H](N)c1ccn(-c2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)n1 ZINC001169234240 762293021 /nfs/dbraw/zinc/29/30/21/762293021.db2.gz VYFCPLSQQAJOIS-NSHDSACASA-N 1 3 319.365 1.741 20 5 DDBDHO N[C@@H](CCC[NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979660 877849603 /nfs/dbraw/zinc/84/96/03/877849603.db2.gz SVMRKVYZPCROPB-ZDUSSCGKSA-N 1 3 309.373 1.788 20 5 DDBDHO COc1cc(N2CCC([NH2+]C3CC(N)C3)CC2)ccc1[N+](=O)[O-] ZINC001256088099 897279819 /nfs/dbraw/zinc/27/98/19/897279819.db2.gz ATCIKXBYEATZNX-UHFFFAOYSA-N 1 3 320.393 1.652 20 5 DDBDHO COc1cc(N2CCC(NC3CC([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256088099 897279836 /nfs/dbraw/zinc/27/98/36/897279836.db2.gz ATCIKXBYEATZNX-UHFFFAOYSA-N 1 3 320.393 1.652 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739150 355981617 /nfs/dbraw/zinc/98/16/17/355981617.db2.gz YFQJKYHFMTZRJA-MJBXVCDLSA-N 1 3 323.397 1.010 20 5 DDBDHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000594961959 356365050 /nfs/dbraw/zinc/36/50/50/356365050.db2.gz BTWMAEJNFONIJJ-AWEZNQCLSA-N 1 3 308.426 1.956 20 5 DDBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCC2 ZINC000423210453 285144503 /nfs/dbraw/zinc/14/45/03/285144503.db2.gz WQWYFIASPGZKNF-MRXNPFEDSA-N 1 3 304.394 1.467 20 5 DDBDHO CCOc1ccc([C@@H](C)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423211512 419987764 /nfs/dbraw/zinc/98/77/64/419987764.db2.gz YMNTVYPZEBZFDM-CYBMUJFWSA-N 1 3 322.409 1.549 20 5 DDBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC001169040270 762194972 /nfs/dbraw/zinc/19/49/72/762194972.db2.gz ZGXHYYIGODPRGL-CVEARBPZSA-N 1 3 310.442 1.145 20 5 DDBDHO CN(CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001129526412 766915440 /nfs/dbraw/zinc/91/54/40/766915440.db2.gz FVVBFRVFZMNZNH-UHFFFAOYSA-N 1 3 320.393 1.285 20 5 DDBDHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000289571641 221075797 /nfs/dbraw/zinc/07/57/97/221075797.db2.gz YLOMINMMRPAJLY-UHFFFAOYSA-N 1 3 308.426 1.910 20 5 DDBDHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000289571641 221075799 /nfs/dbraw/zinc/07/57/99/221075799.db2.gz YLOMINMMRPAJLY-UHFFFAOYSA-N 1 3 308.426 1.910 20 5 DDBDHO NC(=O)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000323947347 409922771 /nfs/dbraw/zinc/92/27/71/409922771.db2.gz BYXDXEHONSYEAM-BETUJISGSA-N 1 3 318.377 1.125 20 5 DDBDHO C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420416778 420273324 /nfs/dbraw/zinc/27/33/24/420273324.db2.gz VVOOFOBBHJZKJN-QWHCGFSZSA-N 1 3 320.393 1.840 20 5 DDBDHO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000843353845 702865280 /nfs/dbraw/zinc/86/52/80/702865280.db2.gz MOOATFPEWXUBDW-UHFFFAOYSA-N 1 3 320.393 1.759 20 5 DDBDHO Cc1cc(NCC[N@H+](C)CCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000884825155 708388123 /nfs/dbraw/zinc/38/81/23/708388123.db2.gz IFJDLALIVFTLTN-UHFFFAOYSA-N 1 3 304.350 1.209 20 5 DDBDHO Cc1cc(NCC[N@@H+](C)CCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000884825155 708388125 /nfs/dbraw/zinc/38/81/25/708388125.db2.gz IFJDLALIVFTLTN-UHFFFAOYSA-N 1 3 304.350 1.209 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968540 711351277 /nfs/dbraw/zinc/35/12/77/711351277.db2.gz XVYXICUDDXAJRM-AGIUHOORSA-N 1 3 320.393 1.757 20 5 DDBDHO CC[NH2+]CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923294613 714300550 /nfs/dbraw/zinc/30/05/50/714300550.db2.gz KKTTWHTYXAAGFT-INIZCTEOSA-N 1 3 307.394 1.950 20 5 DDBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001168999011 762171066 /nfs/dbraw/zinc/17/10/66/762171066.db2.gz QZDCGUCUHGMVKC-LVQVYYBASA-N 1 3 311.426 1.665 20 5 DDBDHO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193626939 163261670 /nfs/dbraw/zinc/26/16/70/163261670.db2.gz OIIVTAICBQWVBE-BETUJISGSA-N 1 3 318.377 1.417 20 5 DDBDHO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193626939 163261674 /nfs/dbraw/zinc/26/16/74/163261674.db2.gz OIIVTAICBQWVBE-BETUJISGSA-N 1 3 318.377 1.417 20 5 DDBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCCO1 ZINC000415030491 419917535 /nfs/dbraw/zinc/91/75/35/419917535.db2.gz CMKSRSCDGLUONV-DZGCQCFKSA-N 1 3 307.394 1.884 20 5 DDBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000420303750 420194750 /nfs/dbraw/zinc/19/47/50/420194750.db2.gz DFXXIWHZRZYGKO-CYBMUJFWSA-N 1 3 320.393 1.997 20 5 DDBDHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928518 420211085 /nfs/dbraw/zinc/21/10/85/420211085.db2.gz UJSXJESTBMWHQQ-STQMWFEESA-N 1 3 320.393 1.983 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442778372 420713826 /nfs/dbraw/zinc/71/38/26/420713826.db2.gz FZBSARZYGULONM-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001157101189 863577409 /nfs/dbraw/zinc/57/74/09/863577409.db2.gz ABHBUHQTQAACQL-UHFFFAOYSA-N 1 3 303.326 1.213 20 5 DDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246403286 892604633 /nfs/dbraw/zinc/60/46/33/892604633.db2.gz DZNJAGJNPDCDCR-RISCZKNCSA-N 1 3 308.382 1.098 20 5 DDBDHO CN(C/C=C\c1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592428484 355580283 /nfs/dbraw/zinc/58/02/83/355580283.db2.gz RDABHRLWNOESMT-XQRVVYSFSA-N 1 3 304.394 1.445 20 5 DDBDHO [NH3+]CC1(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000593314946 355852733 /nfs/dbraw/zinc/85/27/33/355852733.db2.gz ICJWOLGPERLOAM-UHFFFAOYSA-N 1 3 307.350 1.585 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602847112 359233293 /nfs/dbraw/zinc/23/32/93/359233293.db2.gz SQODGAVIXRWVCF-UHFFFAOYSA-N 1 3 316.365 1.399 20 5 DDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCCO1 ZINC000415030496 419917427 /nfs/dbraw/zinc/91/74/27/419917427.db2.gz CMKSRSCDGLUONV-UKRRQHHQSA-N 1 3 307.394 1.884 20 5 DDBDHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001168756418 750718280 /nfs/dbraw/zinc/71/82/80/750718280.db2.gz YKLGTKAEKAJCGE-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCO[C@@]3(CC[NH2+]C3)C1)CNC2 ZINC001163322761 868352342 /nfs/dbraw/zinc/35/23/42/868352342.db2.gz KMYCXSBSUGABLP-BBRMVZONSA-N 1 3 318.377 1.521 20 5 DDBDHO [NH3+]C[C@@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591281754 355277612 /nfs/dbraw/zinc/27/76/12/355277612.db2.gz BEFXHLYHWCVJFM-PWSUYJOCSA-N 1 3 307.350 1.583 20 5 DDBDHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261690494 407580499 /nfs/dbraw/zinc/58/04/99/407580499.db2.gz KSHOIKIJSDMPCN-HNNXBMFYSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847718 410286183 /nfs/dbraw/zinc/28/61/83/410286183.db2.gz BCAGRGVBRNLTPK-NEPJUHHUSA-N 1 3 306.366 1.593 20 5 DDBDHO CN1CCC(O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000344525712 272049285 /nfs/dbraw/zinc/04/92/85/272049285.db2.gz CMZQYCDCHFUIMW-XQRVVYSFSA-N 1 3 305.378 1.654 20 5 DDBDHO C[C@@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641478 712104155 /nfs/dbraw/zinc/10/41/55/712104155.db2.gz CABSFQQWJAYODW-GXTWGEPZSA-N 1 3 307.394 1.743 20 5 DDBDHO C[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641478 712104158 /nfs/dbraw/zinc/10/41/58/712104158.db2.gz CABSFQQWJAYODW-GXTWGEPZSA-N 1 3 307.394 1.743 20 5 DDBDHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000923454948 714361348 /nfs/dbraw/zinc/36/13/48/714361348.db2.gz JOUVEDQRCBHCNQ-AWEZNQCLSA-N 1 3 305.378 1.925 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC23CC(C2)CN3)n1 ZINC000596655748 356944205 /nfs/dbraw/zinc/94/42/05/356944205.db2.gz YMPOMNMHHOOICJ-DNCHLWJUSA-N 1 3 305.382 1.617 20 5 DDBDHO CN(C)CCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602509292 359019180 /nfs/dbraw/zinc/01/91/80/359019180.db2.gz QXXZBZXWWHUFBD-UHFFFAOYSA-N 1 3 320.437 1.753 20 5 DDBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423017189 227314585 /nfs/dbraw/zinc/31/45/85/227314585.db2.gz VSXPFDVQGSYZBD-YESZJQIVSA-N 1 3 319.405 1.884 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430921539 420206438 /nfs/dbraw/zinc/20/64/38/420206438.db2.gz YMZQDYSJTZKDBP-LBPRGKRZSA-N 1 3 306.366 1.512 20 5 DDBDHO COc1ccc(OCCN2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430639390 420168017 /nfs/dbraw/zinc/16/80/17/420168017.db2.gz HYVGSMDOVPOIKX-UHFFFAOYSA-N 1 3 309.366 1.653 20 5 DDBDHO C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420416780 420273143 /nfs/dbraw/zinc/27/31/43/420273143.db2.gz VVOOFOBBHJZKJN-STQMWFEESA-N 1 3 320.393 1.840 20 5 DDBDHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC000923447223 714358975 /nfs/dbraw/zinc/35/89/75/714358975.db2.gz QRVKZZOOLZICAE-CYBMUJFWSA-N 1 3 306.366 1.320 20 5 DDBDHO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000600723676 358296864 /nfs/dbraw/zinc/29/68/64/358296864.db2.gz DESRZXMMXWFVSZ-AWEZNQCLSA-N 1 3 309.366 1.020 20 5 DDBDHO CN1CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000602658752 359107183 /nfs/dbraw/zinc/10/71/83/359107183.db2.gz XUHNGAYAMPDAHH-UHFFFAOYSA-N 1 3 320.437 1.753 20 5 DDBDHO CCN1CCN(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602592046 359060371 /nfs/dbraw/zinc/06/03/71/359060371.db2.gz HGVXAIGVDHVZCL-UHFFFAOYSA-N 1 3 320.437 1.755 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000449095514 420948142 /nfs/dbraw/zinc/94/81/42/420948142.db2.gz ZBGKHKQLOLBYHY-ZBFHGGJFSA-N 1 3 321.421 1.962 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423409349 279247024 /nfs/dbraw/zinc/24/70/24/279247024.db2.gz YUDDYIMMUXSNPN-LALPHHSUSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423409349 279247025 /nfs/dbraw/zinc/24/70/25/279247025.db2.gz YUDDYIMMUXSNPN-LALPHHSUSA-N 1 3 320.393 1.900 20 5 DDBDHO CN1CCC[C@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685061 301212785 /nfs/dbraw/zinc/21/27/85/301212785.db2.gz ZJRIUZJZJFHHPP-ZDUSSCGKSA-N 1 3 307.398 1.913 20 5 DDBDHO N[C@H](CCC[NH3+])NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001159784663 771925441 /nfs/dbraw/zinc/92/54/41/771925441.db2.gz KQINWKGZANBOAX-QMMMGPOBSA-N 1 3 309.704 1.306 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1NCC[C@@H]1CCOC13C[NH2+]C3)CNC2 ZINC001163094147 868086653 /nfs/dbraw/zinc/08/66/53/868086653.db2.gz HATGKAQBRQLMME-CYBMUJFWSA-N 1 3 318.377 1.379 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCNC2)n1 ZINC000423213261 285169231 /nfs/dbraw/zinc/16/92/31/285169231.db2.gz NERYMGOJSBMPIO-BFHYXJOUSA-N 1 3 307.398 1.864 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H]2CCC[NH2+]C2)n1 ZINC000423213261 285169233 /nfs/dbraw/zinc/16/92/33/285169233.db2.gz NERYMGOJSBMPIO-BFHYXJOUSA-N 1 3 307.398 1.864 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C[NH3+])C1CC1 ZINC000414798986 533449015 /nfs/dbraw/zinc/44/90/15/533449015.db2.gz CXHDBHARIOVZSI-IINYFYTJSA-N 1 3 306.366 1.639 20 5 DDBDHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000519643618 421712878 /nfs/dbraw/zinc/71/28/78/421712878.db2.gz WSUGYLISVYPOJL-STQMWFEESA-N 1 3 320.393 1.996 20 5 DDBDHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643618 421712879 /nfs/dbraw/zinc/71/28/79/421712879.db2.gz WSUGYLISVYPOJL-STQMWFEESA-N 1 3 320.393 1.996 20 5 DDBDHO COc1cc(CN[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415037469 533900142 /nfs/dbraw/zinc/90/01/42/533900142.db2.gz MLDQJVGMJJWQDV-ZYHUDNBSSA-N 1 3 309.366 1.829 20 5 DDBDHO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000818972941 704039198 /nfs/dbraw/zinc/03/91/98/704039198.db2.gz PHWLLUZTRRYJAF-LRDDRELGSA-N 1 3 305.378 1.702 20 5 DDBDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877073622 705977004 /nfs/dbraw/zinc/97/70/04/705977004.db2.gz OKHLJZQPYKWHPJ-ZIHBUVQPSA-N 1 3 307.398 1.957 20 5 DDBDHO C[C@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641482 712104235 /nfs/dbraw/zinc/10/42/35/712104235.db2.gz CABSFQQWJAYODW-TZMCWYRMSA-N 1 3 307.394 1.743 20 5 DDBDHO C[C@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641482 712104236 /nfs/dbraw/zinc/10/42/36/712104236.db2.gz CABSFQQWJAYODW-TZMCWYRMSA-N 1 3 307.394 1.743 20 5 DDBDHO [NH3+]C1(Cc2ccccn2)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168994611 762167980 /nfs/dbraw/zinc/16/79/80/762167980.db2.gz QINFWDUSKWZUHZ-HOCLYGCPSA-N 1 3 318.421 1.863 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCNCC3)CC2)cc1 ZINC001246525439 892678483 /nfs/dbraw/zinc/67/84/83/892678483.db2.gz PTSVTJFMRKGNQR-UHFFFAOYSA-N 1 3 304.394 1.859 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCNCC3)CC2)cc1 ZINC001246525439 892678485 /nfs/dbraw/zinc/67/84/85/892678485.db2.gz PTSVTJFMRKGNQR-UHFFFAOYSA-N 1 3 304.394 1.859 20 5 DDBDHO NC[C@]1(O)CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564307 892700689 /nfs/dbraw/zinc/70/06/89/892700689.db2.gz XHKYEOACEBKMRH-JKSUJKDBSA-N 1 3 305.378 1.238 20 5 DDBDHO NC[C@]1(O)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564307 892700698 /nfs/dbraw/zinc/70/06/98/892700698.db2.gz XHKYEOACEBKMRH-JKSUJKDBSA-N 1 3 305.378 1.238 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731299 355978571 /nfs/dbraw/zinc/97/85/71/355978571.db2.gz WAPBNWLFXWTZQP-MGPQQGTHSA-N 1 3 323.397 1.152 20 5 DDBDHO Cn1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430022 359635202 /nfs/dbraw/zinc/63/52/02/359635202.db2.gz QIVYWIIUNRJICL-OLZOCXBDSA-N 1 3 307.398 1.540 20 5 DDBDHO CN1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000282052041 408981396 /nfs/dbraw/zinc/98/13/96/408981396.db2.gz BBFGKKZIQIQXDB-UHFFFAOYSA-N 1 3 306.410 1.710 20 5 DDBDHO C[NH+](C)CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750041109 700199901 /nfs/dbraw/zinc/19/99/01/700199901.db2.gz RMWJJWJJUZIBDL-INIZCTEOSA-N 1 3 307.394 1.902 20 5 DDBDHO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC[NH2+]CC1 ZINC000843347444 702863803 /nfs/dbraw/zinc/86/38/03/702863803.db2.gz WCZWCNKCLYYUIB-UHFFFAOYSA-N 1 3 324.356 1.746 20 5 DDBDHO CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212259 704823659 /nfs/dbraw/zinc/82/36/59/704823659.db2.gz MAQGGGJQZMBOMP-UHFFFAOYSA-N 1 3 317.393 1.985 20 5 DDBDHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000923452144 714360500 /nfs/dbraw/zinc/36/05/00/714360500.db2.gz FXWGQSJXIUOKLN-OAHLLOKOSA-N 1 3 305.378 1.925 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001157099243 863575406 /nfs/dbraw/zinc/57/54/06/863575406.db2.gz MJLUENKMLOTOHX-UHFFFAOYSA-N 1 3 302.338 1.818 20 5 DDBDHO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414682577 530004691 /nfs/dbraw/zinc/00/46/91/530004691.db2.gz YNOGZWIPWYDWBW-CYBMUJFWSA-N 1 3 320.393 1.224 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000602830352 359222720 /nfs/dbraw/zinc/22/27/20/359222720.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 1 3 307.398 1.517 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000602830352 359222722 /nfs/dbraw/zinc/22/27/22/359222722.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 1 3 307.398 1.517 20 5 DDBDHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861984 410300127 /nfs/dbraw/zinc/30/01/27/410300127.db2.gz MUSIOBQQRLQKGG-NWDGAFQWSA-N 1 3 306.366 1.593 20 5 DDBDHO CN1CCCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877654212 706171198 /nfs/dbraw/zinc/17/11/98/706171198.db2.gz WTOSNECHGRFQPG-HSBZDZAISA-N 1 3 307.398 1.816 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001254548204 896499446 /nfs/dbraw/zinc/49/94/46/896499446.db2.gz LFQGIEMRFGUBKI-GUYCJALGSA-N 1 3 318.421 1.539 20 5 DDBDHO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414682578 530004521 /nfs/dbraw/zinc/00/45/21/530004521.db2.gz YNOGZWIPWYDWBW-ZDUSSCGKSA-N 1 3 320.393 1.224 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000449095512 420947958 /nfs/dbraw/zinc/94/79/58/420947958.db2.gz ZBGKHKQLOLBYHY-GOEBONIOSA-N 1 3 321.421 1.962 20 5 DDBDHO CCN1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126685 /nfs/dbraw/zinc/12/66/85/271126685.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 1 3 322.409 1.561 20 5 DDBDHO CCN1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126689 /nfs/dbraw/zinc/12/66/89/271126689.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 1 3 322.409 1.561 20 5 DDBDHO C[C@@H]1C[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000415110872 274385674 /nfs/dbraw/zinc/38/56/74/274385674.db2.gz SZAHNBCXDPCWNI-KGLIPLIRSA-N 1 3 319.409 1.500 20 5 DDBDHO CC[N@H+](C)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146719241 772925824 /nfs/dbraw/zinc/92/58/24/772925824.db2.gz MLCCTAIFTWAJKN-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO CC[N@@H+](C)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146719241 772925828 /nfs/dbraw/zinc/92/58/28/772925828.db2.gz MLCCTAIFTWAJKN-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO Cc1cc(CN)nn1-c1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001163986157 868847014 /nfs/dbraw/zinc/84/70/14/868847014.db2.gz VWRZGUOQRITODW-UHFFFAOYSA-N 1 3 319.365 1.488 20 5 DDBDHO CC[N@@H+]1CC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570545 879105312 /nfs/dbraw/zinc/10/53/12/879105312.db2.gz MQJJLYASOSONOP-KBPBESRZSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570545 879105319 /nfs/dbraw/zinc/10/53/19/879105319.db2.gz MQJJLYASOSONOP-KBPBESRZSA-N 1 3 323.393 1.266 20 5 DDBDHO CCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570545 879105327 /nfs/dbraw/zinc/10/53/27/879105327.db2.gz MQJJLYASOSONOP-KBPBESRZSA-N 1 3 323.393 1.266 20 5 DDBDHO Cn1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430023 359635264 /nfs/dbraw/zinc/63/52/64/359635264.db2.gz QIVYWIIUNRJICL-QWHCGFSZSA-N 1 3 307.398 1.540 20 5 DDBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846263 407638140 /nfs/dbraw/zinc/63/81/40/407638140.db2.gz ZFQDQPMLGOXDSQ-QWHCGFSZSA-N 1 3 320.393 1.443 20 5 DDBDHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420320491 420204442 /nfs/dbraw/zinc/20/44/42/420204442.db2.gz QJOCRPSINRXTSA-OAHLLOKOSA-N 1 3 308.382 1.886 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157097481 863574146 /nfs/dbraw/zinc/57/41/46/863574146.db2.gz XYQQLRZTMJISPV-UHFFFAOYSA-N 1 3 303.326 1.213 20 5 DDBDHO C[C@@H](CCCC[NH3+])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591282048 355277795 /nfs/dbraw/zinc/27/77/95/355277795.db2.gz VFNSKCZBIWBKAE-NSHDSACASA-N 1 3 309.366 1.973 20 5 DDBDHO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)CCCN(C)C ZINC000596423734 356874588 /nfs/dbraw/zinc/87/45/88/356874588.db2.gz AXUFPIQMFQUWFM-UHFFFAOYSA-N 1 3 312.418 1.415 20 5 DDBDHO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+](C)CCCN(C)C ZINC000596423734 356874590 /nfs/dbraw/zinc/87/45/90/356874590.db2.gz AXUFPIQMFQUWFM-UHFFFAOYSA-N 1 3 312.418 1.415 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CNCCCO2)n1 ZINC000423493211 285168881 /nfs/dbraw/zinc/16/88/81/285168881.db2.gz PPHYMRREQARMEF-BFHYXJOUSA-N 1 3 323.397 1.243 20 5 DDBDHO COc1ccc(OCC[NH2+][C@@H]2CCNCC2(C)C)c([N+](=O)[O-])c1 ZINC000420359694 420233263 /nfs/dbraw/zinc/23/32/63/420233263.db2.gz KCIBSYUEHQMUFX-OAHLLOKOSA-N 1 3 323.393 1.960 20 5 DDBDHO CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001267424421 838021752 /nfs/dbraw/zinc/02/17/52/838021752.db2.gz OPRHEMWSSJQQHK-UHFFFAOYSA-N 1 3 308.382 1.095 20 5 DDBDHO CCN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189730 873640134 /nfs/dbraw/zinc/64/01/34/873640134.db2.gz AMNJTTNWCKTIHE-HIFRSBDPSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@@H+]1CC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189730 873640122 /nfs/dbraw/zinc/64/01/22/873640122.db2.gz AMNJTTNWCKTIHE-HIFRSBDPSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189730 873640128 /nfs/dbraw/zinc/64/01/28/873640128.db2.gz AMNJTTNWCKTIHE-HIFRSBDPSA-N 1 3 323.393 1.266 20 5 DDBDHO C[C@@]1(N)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528685 892678501 /nfs/dbraw/zinc/67/85/01/892678501.db2.gz BJEARNJHESLAMQ-MRXNPFEDSA-N 1 3 304.394 1.987 20 5 DDBDHO C[C@@]1(N)CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528685 892678502 /nfs/dbraw/zinc/67/85/02/892678502.db2.gz BJEARNJHESLAMQ-MRXNPFEDSA-N 1 3 304.394 1.987 20 5 DDBDHO COc1cc(N2CCC(NC3(C[NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092215 897280815 /nfs/dbraw/zinc/28/08/15/897280815.db2.gz IHUZXVCQCUPGBR-UHFFFAOYSA-N 1 3 320.393 1.653 20 5 DDBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CNCCCO1)C1CC1 ZINC000423494110 285161995 /nfs/dbraw/zinc/16/19/95/285161995.db2.gz RPTADJVHIPDEGC-CVEARBPZSA-N 1 3 319.405 1.884 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000430549974 420133586 /nfs/dbraw/zinc/13/35/86/420133586.db2.gz FICNBZVOWATSDY-MRXNPFEDSA-N 1 3 320.393 1.949 20 5 DDBDHO COc1cc([C@@H](C)NCCOCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903157683 711050681 /nfs/dbraw/zinc/05/06/81/711050681.db2.gz MEBFYMKHDKEXBW-GFCCVEGCSA-N 1 3 311.382 1.832 20 5 DDBDHO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2N)c([N+](=O)[O-])c1 ZINC000424336267 307301415 /nfs/dbraw/zinc/30/14/15/307301415.db2.gz PWHUZBCIRWIZPO-CHWSQXEVSA-N 1 3 309.366 1.842 20 5 DDBDHO CN(CCC[NH3+])CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000592473618 355592846 /nfs/dbraw/zinc/59/28/46/355592846.db2.gz HJVXCGVNZXZASO-UHFFFAOYSA-N 1 3 308.338 1.173 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000449095513 274231206 /nfs/dbraw/zinc/23/12/06/274231206.db2.gz ZBGKHKQLOLBYHY-HOCLYGCPSA-N 1 3 321.421 1.962 20 5 DDBDHO CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215217 704824612 /nfs/dbraw/zinc/82/46/12/704824612.db2.gz YVRZZZCDAGLLOH-UHFFFAOYSA-N 1 3 317.393 1.985 20 5 DDBDHO C[NH+]1CCC(CN2CCN(c3cccc([N+](=O)[O-])n3)CC2)CC1 ZINC001157836608 864182924 /nfs/dbraw/zinc/18/29/24/864182924.db2.gz LQHXCZANJZODIM-UHFFFAOYSA-N 1 3 319.409 1.454 20 5 DDBDHO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC001335933165 868629149 /nfs/dbraw/zinc/62/91/49/868629149.db2.gz FADLMVBZRVPROH-CYBMUJFWSA-N 1 3 308.382 1.053 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592983072 355762967 /nfs/dbraw/zinc/76/29/67/355762967.db2.gz PHCSGVWTPOCJSQ-UONOGXRCSA-N 1 3 307.398 1.503 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731301 355979285 /nfs/dbraw/zinc/97/92/85/355979285.db2.gz WAPBNWLFXWTZQP-RDBSUJKOSA-N 1 3 323.397 1.152 20 5 DDBDHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccccc1[N+](=O)[O-] ZINC000594961981 356365119 /nfs/dbraw/zinc/36/51/19/356365119.db2.gz CHRDOQYQOJHWNB-AWEZNQCLSA-N 1 3 308.426 1.956 20 5 DDBDHO CC(C)[N@H+](C)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000567536345 304225506 /nfs/dbraw/zinc/22/55/06/304225506.db2.gz CTHITRVGLHZJGU-UHFFFAOYSA-N 1 3 309.414 1.844 20 5 DDBDHO CC(C)[N@@H+](C)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000567536345 304225509 /nfs/dbraw/zinc/22/55/09/304225509.db2.gz CTHITRVGLHZJGU-UHFFFAOYSA-N 1 3 309.414 1.844 20 5 DDBDHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430624178 420162933 /nfs/dbraw/zinc/16/29/33/420162933.db2.gz ILOFWGPCZGKQMZ-LBPRGKRZSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420409780 420267919 /nfs/dbraw/zinc/26/79/19/420267919.db2.gz QWAJDVOFQSFSSQ-QWHCGFSZSA-N 1 3 320.393 1.840 20 5 DDBDHO O=[N+]([O-])c1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000514782459 421454652 /nfs/dbraw/zinc/45/46/52/421454652.db2.gz OHDDAHRYZFDUJT-CVEARBPZSA-N 1 3 317.389 1.795 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000876939556 705931295 /nfs/dbraw/zinc/93/12/95/705931295.db2.gz HNYFZIZGPYOROO-AHPWVWPOSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000876939556 705931297 /nfs/dbraw/zinc/93/12/97/705931297.db2.gz HNYFZIZGPYOROO-AHPWVWPOSA-N 1 3 305.382 1.711 20 5 DDBDHO C[C@H](N)C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567468 705960134 /nfs/dbraw/zinc/96/01/34/705960134.db2.gz CVLLAPLOUQBCKO-JTQLQIEISA-N 1 3 308.338 1.172 20 5 DDBDHO C[C@H](N)C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567468 705960135 /nfs/dbraw/zinc/96/01/35/705960135.db2.gz CVLLAPLOUQBCKO-JTQLQIEISA-N 1 3 308.338 1.172 20 5 DDBDHO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1CC[NH3+] ZINC000903977543 711355420 /nfs/dbraw/zinc/35/54/20/711355420.db2.gz SODCMRHAHJNBHF-VXGBXAGGSA-N 1 3 321.377 1.783 20 5 DDBDHO NC[C@]1(O)CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564304 892700485 /nfs/dbraw/zinc/70/04/85/892700485.db2.gz XHKYEOACEBKMRH-HZPDHXFCSA-N 1 3 305.378 1.238 20 5 DDBDHO NC[C@]1(O)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564304 892700489 /nfs/dbraw/zinc/70/04/89/892700489.db2.gz XHKYEOACEBKMRH-HZPDHXFCSA-N 1 3 305.378 1.238 20 5 DDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597942241 357392945 /nfs/dbraw/zinc/39/29/45/357392945.db2.gz IXPUEEZWIIZBMK-ZDUSSCGKSA-N 1 3 322.409 1.597 20 5 DDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597942241 357392946 /nfs/dbraw/zinc/39/29/46/357392946.db2.gz IXPUEEZWIIZBMK-ZDUSSCGKSA-N 1 3 322.409 1.597 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078489926 407030682 /nfs/dbraw/zinc/03/06/82/407030682.db2.gz YRNOWTKIKUSMGQ-UHFFFAOYSA-N 1 3 323.397 1.552 20 5 DDBDHO C[NH+](C)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579807 698120695 /nfs/dbraw/zinc/12/06/95/698120695.db2.gz QVJFYMHMYKTYOF-MRXNPFEDSA-N 1 3 307.394 1.902 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000261848852 698441227 /nfs/dbraw/zinc/44/12/27/698441227.db2.gz RJKNAOGYQWZXKU-INIZCTEOSA-N 1 3 320.393 1.903 20 5 DDBDHO O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903756296 711269328 /nfs/dbraw/zinc/26/93/28/711269328.db2.gz PVNNJCSGDMJJED-ZDUSSCGKSA-N 1 3 307.398 1.818 20 5 DDBDHO [NH3+][C@@H]1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246563194 892700257 /nfs/dbraw/zinc/70/02/57/892700257.db2.gz CHTQXJDSPVFGIP-NUEKZKHPSA-N 1 3 305.378 1.236 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736104 355980785 /nfs/dbraw/zinc/98/07/85/355980785.db2.gz GIUBMONYPBBBLC-GUTXKFCHSA-N 1 3 323.397 1.010 20 5 DDBDHO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599200128 357847810 /nfs/dbraw/zinc/84/78/10/357847810.db2.gz XMDSSYMDQMDURJ-ZDUSSCGKSA-N 1 3 316.361 1.352 20 5 DDBDHO Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599200128 357847813 /nfs/dbraw/zinc/84/78/13/357847813.db2.gz XMDSSYMDQMDURJ-ZDUSSCGKSA-N 1 3 316.361 1.352 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCNC2)n1 ZINC000423213264 285168958 /nfs/dbraw/zinc/16/89/58/285168958.db2.gz NERYMGOJSBMPIO-MGPQQGTHSA-N 1 3 307.398 1.864 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H]2CCC[NH2+]C2)n1 ZINC000423213264 285168963 /nfs/dbraw/zinc/16/89/63/285168963.db2.gz NERYMGOJSBMPIO-MGPQQGTHSA-N 1 3 307.398 1.864 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848661 410285671 /nfs/dbraw/zinc/28/56/71/410285671.db2.gz DSQAZABOSAZWKU-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H](C[NH3+])CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414887126 419861095 /nfs/dbraw/zinc/86/10/95/419861095.db2.gz YTBJAQJHEZKQMQ-NSHDSACASA-N 1 3 303.366 1.680 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761765 420709951 /nfs/dbraw/zinc/70/99/51/420709951.db2.gz YPYDSMJOHYAEEH-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1CNCCC[C@@H]1CCC[NH2+]1)OCCO2 ZINC000591280749 355276944 /nfs/dbraw/zinc/27/69/44/355276944.db2.gz KMCVLESDTYDNIB-CYBMUJFWSA-N 1 3 321.377 1.988 20 5 DDBDHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000594965680 356364701 /nfs/dbraw/zinc/36/47/01/356364701.db2.gz RDAKGWPYFPUZGD-AWEZNQCLSA-N 1 3 308.426 1.956 20 5 DDBDHO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609802291 360352537 /nfs/dbraw/zinc/35/25/37/360352537.db2.gz OOVLWEGXVVHWIF-OAHLLOKOSA-N 1 3 319.409 1.595 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000566115247 304120032 /nfs/dbraw/zinc/12/00/32/304120032.db2.gz IHSSANDHDBUBME-MCIONIFRSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115247 304120033 /nfs/dbraw/zinc/12/00/33/304120033.db2.gz IHSSANDHDBUBME-MCIONIFRSA-N 1 3 323.393 1.407 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000530880574 421618188 /nfs/dbraw/zinc/61/81/88/421618188.db2.gz IZMMHVMKCQDBDE-UHFFFAOYSA-N 1 3 314.411 1.222 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000556690032 421722277 /nfs/dbraw/zinc/72/22/77/421722277.db2.gz UEXIZQDZEYCLDS-UHFFFAOYSA-N 1 3 314.411 1.222 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCO[C@]3(CC[NH2+]C3)C1)CNC2 ZINC001163322764 868352274 /nfs/dbraw/zinc/35/22/74/868352274.db2.gz KMYCXSBSUGABLP-XJKSGUPXSA-N 1 3 318.377 1.521 20 5 DDBDHO CN1CC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593923 896520237 /nfs/dbraw/zinc/52/02/37/896520237.db2.gz BVAXPPUIXVAPFT-KMFMINBZSA-N 1 3 301.390 1.946 20 5 DDBDHO CN1CC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593923 896520247 /nfs/dbraw/zinc/52/02/47/896520247.db2.gz BVAXPPUIXVAPFT-KMFMINBZSA-N 1 3 301.390 1.946 20 5 DDBDHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591281755 355278044 /nfs/dbraw/zinc/27/80/44/355278044.db2.gz BEFXHLYHWCVJFM-ZYHUDNBSSA-N 1 3 307.350 1.583 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351851642 410290416 /nfs/dbraw/zinc/29/04/16/410290416.db2.gz LRHNAMISFYWDLD-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CNCCCO1)C1CC1 ZINC000423494112 420061786 /nfs/dbraw/zinc/06/17/86/420061786.db2.gz RPTADJVHIPDEGC-HZPDHXFCSA-N 1 3 319.405 1.884 20 5 DDBDHO O=[N+]([O-])c1cccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420318202 420202251 /nfs/dbraw/zinc/20/22/51/420202251.db2.gz NUXPHRMFFNQIIE-AWEZNQCLSA-N 1 3 304.394 1.716 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000430620991 420160389 /nfs/dbraw/zinc/16/03/89/420160389.db2.gz CPWFKPNRGVNYEN-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000430620991 420160394 /nfs/dbraw/zinc/16/03/94/420160394.db2.gz CPWFKPNRGVNYEN-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCNCC1 ZINC000430620991 420160397 /nfs/dbraw/zinc/16/03/97/420160397.db2.gz CPWFKPNRGVNYEN-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO COCC[NH+]1CCC(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765848607 701028734 /nfs/dbraw/zinc/02/87/34/701028734.db2.gz IOYQJDQNPCRNFM-INIZCTEOSA-N 1 3 323.393 1.329 20 5 DDBDHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000923458772 714362566 /nfs/dbraw/zinc/36/25/66/714362566.db2.gz SWYPKLKSUXTBNR-HNNXBMFYSA-N 1 3 305.378 1.925 20 5 DDBDHO [NH3+]C1(Cc2cccnc2)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000858 762171675 /nfs/dbraw/zinc/17/16/75/762171675.db2.gz YVUUNTXZEQHQLX-ZBFHGGJFSA-N 1 3 318.421 1.863 20 5 DDBDHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171763026 776450028 /nfs/dbraw/zinc/45/00/28/776450028.db2.gz REXIWWZHDNFLQL-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CC(COC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950229 859022366 /nfs/dbraw/zinc/02/23/66/859022366.db2.gz HEIYMZPVBRZGSY-OYVUYXNMSA-N 1 3 322.361 1.849 20 5 DDBDHO CN(C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596424219 356874205 /nfs/dbraw/zinc/87/42/05/356874205.db2.gz DQJFEMXPXDAJFG-UHFFFAOYSA-N 1 3 313.377 1.612 20 5 DDBDHO CN(C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596424219 356874207 /nfs/dbraw/zinc/87/42/07/356874207.db2.gz DQJFEMXPXDAJFG-UHFFFAOYSA-N 1 3 313.377 1.612 20 5 DDBDHO [NH3+]CCOCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357088592 298960906 /nfs/dbraw/zinc/96/09/06/298960906.db2.gz SVUOLPSVYUDVTA-UHFFFAOYSA-N 1 3 309.366 1.413 20 5 DDBDHO O=[N+]([O-])c1ccc(Cl)cc1CNCCCN1CC[NH2+]CC1 ZINC000841030618 702316658 /nfs/dbraw/zinc/31/66/58/702316658.db2.gz UBLQLMISNUAXBK-UHFFFAOYSA-N 1 3 312.801 1.633 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000430940248 420214307 /nfs/dbraw/zinc/21/43/07/420214307.db2.gz JNZOJRKCQLHSRI-LBPRGKRZSA-N 1 3 306.366 1.512 20 5 DDBDHO C[C@](C[NH3+])(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420284746 420182666 /nfs/dbraw/zinc/18/26/66/420182666.db2.gz DKDNCDAXAHYFIY-OAHLLOKOSA-N 1 3 306.366 1.640 20 5 DDBDHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420360749 420235850 /nfs/dbraw/zinc/23/58/50/420235850.db2.gz LJYYRFUOVRSTGG-AWEZNQCLSA-N 1 3 320.393 1.901 20 5 DDBDHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420360749 420235854 /nfs/dbraw/zinc/23/58/54/420235854.db2.gz LJYYRFUOVRSTGG-AWEZNQCLSA-N 1 3 320.393 1.901 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000562834779 421420588 /nfs/dbraw/zinc/42/05/88/421420588.db2.gz UZFIGTHDJAZCNX-AWEZNQCLSA-N 1 3 319.409 1.502 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001254548203 896498125 /nfs/dbraw/zinc/49/81/25/896498125.db2.gz LFQGIEMRFGUBKI-DYVFJYSZSA-N 1 3 318.421 1.539 20 5 DDBDHO CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489470 355598284 /nfs/dbraw/zinc/59/82/84/355598284.db2.gz VZXGULYJPXEOMU-SWLSCSKDSA-N 1 3 320.393 1.983 20 5 DDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000595901624 356698586 /nfs/dbraw/zinc/69/85/86/356698586.db2.gz ZGWKFHQCFVKMOC-AWEZNQCLSA-N 1 3 307.398 1.503 20 5 DDBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846256 407638113 /nfs/dbraw/zinc/63/81/13/407638113.db2.gz ZFQDQPMLGOXDSQ-CHWSQXEVSA-N 1 3 320.393 1.443 20 5 DDBDHO CN(C)CCN(C)CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000289354656 409253283 /nfs/dbraw/zinc/25/32/83/409253283.db2.gz GPPRUMAMDIQSKP-UHFFFAOYSA-N 1 3 322.453 1.953 20 5 DDBDHO CN(C)CCN(C)CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000289354656 409253286 /nfs/dbraw/zinc/25/32/86/409253286.db2.gz GPPRUMAMDIQSKP-UHFFFAOYSA-N 1 3 322.453 1.953 20 5 DDBDHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928515 420210939 /nfs/dbraw/zinc/21/09/39/420210939.db2.gz UJSXJESTBMWHQQ-OLZOCXBDSA-N 1 3 320.393 1.983 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351406 281021966 /nfs/dbraw/zinc/02/19/66/281021966.db2.gz WYGSUEROXXCTFI-HOCLYGCPSA-N 1 3 318.421 1.944 20 5 DDBDHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000866698964 706767912 /nfs/dbraw/zinc/76/79/12/706767912.db2.gz HJDBBIBHMGXDOG-UHFFFAOYSA-N 1 3 320.393 1.997 20 5 DDBDHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000866698964 706767913 /nfs/dbraw/zinc/76/79/13/706767913.db2.gz HJDBBIBHMGXDOG-UHFFFAOYSA-N 1 3 320.393 1.997 20 5 DDBDHO C[C@@H](N)c1ccn(-c2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)n1 ZINC001169234239 762293254 /nfs/dbraw/zinc/29/32/54/762293254.db2.gz VYFCPLSQQAJOIS-LLVKDONJSA-N 1 3 319.365 1.741 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731303 355979219 /nfs/dbraw/zinc/97/92/19/355979219.db2.gz WCHFYTQKAFFCGX-BPLDGKMQSA-N 1 3 323.397 1.152 20 5 DDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000351495710 284344146 /nfs/dbraw/zinc/34/41/46/284344146.db2.gz PYRQOGOCZUZIBL-NILFDRSVSA-N 1 3 318.377 1.593 20 5 DDBDHO C[C@](C[NH3+])(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420295098 420187311 /nfs/dbraw/zinc/18/73/11/420187311.db2.gz UUOCSXYNIYUJML-OAHLLOKOSA-N 1 3 306.366 1.640 20 5 DDBDHO COc1c([O-])ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000895207151 711453504 /nfs/dbraw/zinc/45/35/04/711453504.db2.gz AJUNGEDSVWTQOS-KLPPZKSPSA-N 1 3 309.366 1.739 20 5 DDBDHO [NH3+]C1(Cc2ccccn2)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168994612 762167691 /nfs/dbraw/zinc/16/76/91/762167691.db2.gz QINFWDUSKWZUHZ-ZBFHGGJFSA-N 1 3 318.421 1.863 20 5 DDBDHO CC(COC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950230 859022399 /nfs/dbraw/zinc/02/23/99/859022399.db2.gz HEIYMZPVBRZGSY-PPGNKHEKSA-N 1 3 322.361 1.849 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@]1(C[NH3+])CN2CCC1CC2 ZINC001254548200 896499151 /nfs/dbraw/zinc/49/91/51/896499151.db2.gz LFQGIEMRFGUBKI-CXAGYDPISA-N 1 3 318.421 1.539 20 5 DDBDHO O=[N+]([O-])c1ccccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000591285029 355278403 /nfs/dbraw/zinc/27/84/03/355278403.db2.gz ZHZNGBKIYCSMJG-ZBFHGGJFSA-N 1 3 317.389 1.795 20 5 DDBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422743441 227148096 /nfs/dbraw/zinc/14/80/96/227148096.db2.gz RHVIJIVXRKOSID-BRWVUGGUSA-N 1 3 319.405 1.884 20 5 DDBDHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362909 702866735 /nfs/dbraw/zinc/86/67/35/702866735.db2.gz UNHAUDYIRSHNQE-WDEREUQCSA-N 1 3 324.356 1.732 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001167880258 739170460 /nfs/dbraw/zinc/17/04/60/739170460.db2.gz DWLCGRWMWPOABW-UHFFFAOYSA-N 1 3 320.328 1.957 20 5 DDBDHO C[NH2+][C@H](C)CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001118058170 781010839 /nfs/dbraw/zinc/01/08/39/781010839.db2.gz WTUJAFLXQUMLKV-NEPJUHHUSA-N 1 3 308.382 1.900 20 5 DDBDHO C[NH2+][C@H](C)CCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001348851490 874830975 /nfs/dbraw/zinc/83/09/75/874830975.db2.gz BCBQMBVVTRVOIX-VXGBXAGGSA-N 1 3 308.382 1.900 20 5 DDBDHO CC(C)(O)C[NH+]1CCC(NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000602579916 359053393 /nfs/dbraw/zinc/05/33/93/359053393.db2.gz JVQZREQDXYHFCV-UHFFFAOYSA-N 1 3 321.421 1.962 20 5 DDBDHO Cn1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430021 359635070 /nfs/dbraw/zinc/63/50/70/359635070.db2.gz QIVYWIIUNRJICL-CHWSQXEVSA-N 1 3 307.398 1.540 20 5 DDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCN(C)CC1 ZINC000269002444 207159016 /nfs/dbraw/zinc/15/90/16/207159016.db2.gz POFQLFKHQZCDJJ-CQSZACIVSA-N 1 3 321.421 1.962 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848659 410286087 /nfs/dbraw/zinc/28/60/87/410286087.db2.gz DSQAZABOSAZWKU-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO COCC1(CNCc2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000414971763 419899713 /nfs/dbraw/zinc/89/97/13/419899713.db2.gz JCRWUSNQSWXWMM-UHFFFAOYSA-N 1 3 311.357 1.840 20 5 DDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCCO1 ZINC000415030494 419917784 /nfs/dbraw/zinc/91/77/84/419917784.db2.gz CMKSRSCDGLUONV-HIFRSBDPSA-N 1 3 307.394 1.884 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000573855186 308253344 /nfs/dbraw/zinc/25/33/44/308253344.db2.gz WXSCDRLFTOXLIP-UKRRQHHQSA-N 1 3 323.397 1.010 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935845 705930114 /nfs/dbraw/zinc/93/01/14/705930114.db2.gz RSPZKJAHXJSICT-VHMBPLKRSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935845 705930116 /nfs/dbraw/zinc/93/01/16/705930116.db2.gz RSPZKJAHXJSICT-VHMBPLKRSA-N 1 3 305.382 1.711 20 5 DDBDHO CCN(CC)CCNC(=[NH2+])Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001163126431 868130449 /nfs/dbraw/zinc/13/04/49/868130449.db2.gz RMXLEFCJFAPZFA-UHFFFAOYSA-N 1 3 319.369 1.749 20 5 DDBDHO NC[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246577608 892709700 /nfs/dbraw/zinc/70/97/00/892709700.db2.gz BNXMRBSWHQXUTG-SQWLQELKSA-N 1 3 305.378 1.094 20 5 DDBDHO NC[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246577608 892709712 /nfs/dbraw/zinc/70/97/12/892709712.db2.gz BNXMRBSWHQXUTG-SQWLQELKSA-N 1 3 305.378 1.094 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347202380 283207013 /nfs/dbraw/zinc/20/70/13/283207013.db2.gz KGMWFDRXFZDWMY-AWEZNQCLSA-N 1 3 320.393 1.190 20 5 DDBDHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414849759 419839835 /nfs/dbraw/zinc/83/98/35/419839835.db2.gz YNMSCLPCKPWSIP-NEPJUHHUSA-N 1 3 308.382 1.757 20 5 DDBDHO CCN(CC)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135508281 771541913 /nfs/dbraw/zinc/54/19/13/771541913.db2.gz IWYCTQBUKUCVQH-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO C[C@H](CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC001353298243 877237716 /nfs/dbraw/zinc/23/77/16/877237716.db2.gz RVQGSUCOYOXWPT-TZMCWYRMSA-N 1 3 311.382 1.264 20 5 DDBDHO CC[N@@H+]1CC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570549 879104456 /nfs/dbraw/zinc/10/44/56/879104456.db2.gz MQJJLYASOSONOP-ZIAGYGMSSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570549 879104462 /nfs/dbraw/zinc/10/44/62/879104462.db2.gz MQJJLYASOSONOP-ZIAGYGMSSA-N 1 3 323.393 1.266 20 5 DDBDHO CCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570549 879104467 /nfs/dbraw/zinc/10/44/67/879104467.db2.gz MQJJLYASOSONOP-ZIAGYGMSSA-N 1 3 323.393 1.266 20 5 DDBDHO COc1cc(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085660 897278931 /nfs/dbraw/zinc/27/89/31/897278931.db2.gz RHXHWJIARJJADB-LBPRGKRZSA-N 1 3 320.393 1.605 20 5 DDBDHO COc1cc(N2CCC([N@H+]3CC[C@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085660 897278948 /nfs/dbraw/zinc/27/89/48/897278948.db2.gz RHXHWJIARJJADB-LBPRGKRZSA-N 1 3 320.393 1.605 20 5 DDBDHO C[NH+]1CCC(N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000050954303 352574344 /nfs/dbraw/zinc/57/43/44/352574344.db2.gz WSEVZVHVWNSXJL-UHFFFAOYSA-N 1 3 319.409 1.960 20 5 DDBDHO C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420409779 420268729 /nfs/dbraw/zinc/26/87/29/420268729.db2.gz QWAJDVOFQSFSSQ-OLZOCXBDSA-N 1 3 320.393 1.840 20 5 DDBDHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776197 420713376 /nfs/dbraw/zinc/71/33/76/420713376.db2.gz BSYJACOOLZQXAA-NEPJUHHUSA-N 1 3 306.366 1.593 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442778368 420714216 /nfs/dbraw/zinc/71/42/16/420714216.db2.gz FZBSARZYGULONM-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362907 702866980 /nfs/dbraw/zinc/86/69/80/702866980.db2.gz UNHAUDYIRSHNQE-MNOVXSKESA-N 1 3 324.356 1.732 20 5 DDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC001169040273 762194849 /nfs/dbraw/zinc/19/48/49/762194849.db2.gz ZGXHYYIGODPRGL-HZPDHXFCSA-N 1 3 310.442 1.145 20 5 DDBDHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC001336754490 869125723 /nfs/dbraw/zinc/12/57/23/869125723.db2.gz LRQAONLEWKGULJ-STQMWFEESA-N 1 3 311.382 1.264 20 5 DDBDHO CN(C)CCC[N@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596425143 356875207 /nfs/dbraw/zinc/87/52/07/356875207.db2.gz MJWVSZZXENZHST-UHFFFAOYSA-N 1 3 321.425 1.858 20 5 DDBDHO CN(C)CCC[N@@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596425143 356875209 /nfs/dbraw/zinc/87/52/09/356875209.db2.gz MJWVSZZXENZHST-UHFFFAOYSA-N 1 3 321.425 1.858 20 5 DDBDHO Cc1c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261643513 407567106 /nfs/dbraw/zinc/56/71/06/407567106.db2.gz DOFDTFVXJQWJBS-AWEZNQCLSA-N 1 3 320.393 1.190 20 5 DDBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCC2 ZINC000423210452 275037828 /nfs/dbraw/zinc/03/78/28/275037828.db2.gz WQWYFIASPGZKNF-INIZCTEOSA-N 1 3 304.394 1.467 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376770 714333630 /nfs/dbraw/zinc/33/36/30/714333630.db2.gz ONNFBDWTSQZIQR-AWEZNQCLSA-N 1 3 305.378 1.448 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925788895 714935545 /nfs/dbraw/zinc/93/55/45/714935545.db2.gz DCUIVFAYURRXFZ-AGIUHOORSA-N 1 3 320.393 1.757 20 5 DDBDHO C[C@@H](CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC001353298240 877237994 /nfs/dbraw/zinc/23/79/94/877237994.db2.gz RVQGSUCOYOXWPT-GXTWGEPZSA-N 1 3 311.382 1.264 20 5 DDBDHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584227 879113607 /nfs/dbraw/zinc/11/36/07/879113607.db2.gz NDXCLLYAJIYGRM-ZIAGYGMSSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584227 879113620 /nfs/dbraw/zinc/11/36/20/879113620.db2.gz NDXCLLYAJIYGRM-ZIAGYGMSSA-N 1 3 323.393 1.266 20 5 DDBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089590 892412285 /nfs/dbraw/zinc/41/22/85/892412285.db2.gz QSVHHPNWYITCTO-TUKIKUTGSA-N 1 3 311.357 1.178 20 5 DDBDHO [NH3+]CCCCN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254588389 896518084 /nfs/dbraw/zinc/51/80/84/896518084.db2.gz FEWJEZLHUADXCU-KRWDZBQOSA-N 1 3 318.421 1.419 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104532656 407351077 /nfs/dbraw/zinc/35/10/77/407351077.db2.gz LZGFPWMZCPINKT-UHFFFAOYSA-N 1 3 308.382 1.160 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000414777455 419826334 /nfs/dbraw/zinc/82/63/34/419826334.db2.gz GUHFKRVJSNFIHI-LLVKDONJSA-N 1 3 306.366 1.654 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCNCC1 ZINC000414777455 419826342 /nfs/dbraw/zinc/82/63/42/419826342.db2.gz GUHFKRVJSNFIHI-LLVKDONJSA-N 1 3 306.366 1.654 20 5 DDBDHO COc1cc(CN[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415037463 533899910 /nfs/dbraw/zinc/89/99/10/533899910.db2.gz MLDQJVGMJJWQDV-CMPLNLGQSA-N 1 3 309.366 1.829 20 5 DDBDHO CCOC(=O)CC1([NH3+])CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009033 762177083 /nfs/dbraw/zinc/17/70/83/762177083.db2.gz ULDFJNNEDRMCHK-OLZOCXBDSA-N 1 3 313.398 1.178 20 5 DDBDHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009033 762177085 /nfs/dbraw/zinc/17/70/85/762177085.db2.gz ULDFJNNEDRMCHK-OLZOCXBDSA-N 1 3 313.398 1.178 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890105 356693290 /nfs/dbraw/zinc/69/32/90/356693290.db2.gz BRITYIBWQPUIBG-CQSZACIVSA-N 1 3 305.378 1.590 20 5 DDBDHO [NH3+]CCCOC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000317545657 164028260 /nfs/dbraw/zinc/02/82/60/164028260.db2.gz MEABSEOSTFKDPC-UHFFFAOYSA-N 1 3 307.394 1.967 20 5 DDBDHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861986 410301628 /nfs/dbraw/zinc/30/16/28/410301628.db2.gz MUSIOBQQRLQKGG-VXGBXAGGSA-N 1 3 306.366 1.593 20 5 DDBDHO [NH3+]C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712334 422412210 /nfs/dbraw/zinc/41/22/10/422412210.db2.gz WWNDUXYYXMNSHK-CHWSQXEVSA-N 1 3 323.397 1.373 20 5 DDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000853773388 704314136 /nfs/dbraw/zinc/31/41/36/704314136.db2.gz CGKDPBXEMFGVLF-LBPRGKRZSA-N 1 3 309.414 1.861 20 5 DDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000853773388 704314138 /nfs/dbraw/zinc/31/41/38/704314138.db2.gz CGKDPBXEMFGVLF-LBPRGKRZSA-N 1 3 309.414 1.861 20 5 DDBDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925381974 714836323 /nfs/dbraw/zinc/83/63/23/714836323.db2.gz GTAMVAONKBEAMM-OCZCAGDBSA-N 1 3 305.378 1.903 20 5 DDBDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925381974 714836327 /nfs/dbraw/zinc/83/63/27/714836327.db2.gz GTAMVAONKBEAMM-OCZCAGDBSA-N 1 3 305.378 1.903 20 5 DDBDHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584224 879114211 /nfs/dbraw/zinc/11/42/11/879114211.db2.gz NDXCLLYAJIYGRM-UONOGXRCSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584224 879114231 /nfs/dbraw/zinc/11/42/31/879114231.db2.gz NDXCLLYAJIYGRM-UONOGXRCSA-N 1 3 323.393 1.266 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736106 355981172 /nfs/dbraw/zinc/98/11/72/355981172.db2.gz GIUBMONYPBBBLC-NFAWXSAZSA-N 1 3 323.397 1.010 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347202389 283206972 /nfs/dbraw/zinc/20/69/72/283206972.db2.gz KGMWFDRXFZDWMY-CQSZACIVSA-N 1 3 320.393 1.190 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000566115249 304119970 /nfs/dbraw/zinc/11/99/70/304119970.db2.gz IHSSANDHDBUBME-RDBSUJKOSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115249 304119971 /nfs/dbraw/zinc/11/99/71/304119971.db2.gz IHSSANDHDBUBME-RDBSUJKOSA-N 1 3 323.393 1.407 20 5 DDBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CNCCCO1)C1CC1 ZINC000423494113 275040124 /nfs/dbraw/zinc/04/01/24/275040124.db2.gz RPTADJVHIPDEGC-JKSUJKDBSA-N 1 3 319.405 1.884 20 5 DDBDHO CN1CCC(O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474782 308054010 /nfs/dbraw/zinc/05/40/10/308054010.db2.gz ISWRHTXBXDTNBR-CQSZACIVSA-N 1 3 305.378 1.628 20 5 DDBDHO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCCC1 ZINC000876946251 705933852 /nfs/dbraw/zinc/93/38/52/705933852.db2.gz OZWIHJJIGVAYPS-IYXRBSQSSA-N 1 3 307.398 1.816 20 5 DDBDHO CN(CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001129526800 766916068 /nfs/dbraw/zinc/91/60/68/766916068.db2.gz SZBHXBOTSSODKN-UHFFFAOYSA-N 1 3 320.393 1.285 20 5 DDBDHO [NH3+]CCN1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901220 776915778 /nfs/dbraw/zinc/91/57/78/776915778.db2.gz LHPOSSOIUUGNCY-INIZCTEOSA-N 1 3 318.421 1.419 20 5 DDBDHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273811 877223719 /nfs/dbraw/zinc/22/37/19/877223719.db2.gz QNFRCFDKJUXZPC-ZDUSSCGKSA-N 1 3 320.393 1.855 20 5 DDBDHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273811 877223728 /nfs/dbraw/zinc/22/37/28/877223728.db2.gz QNFRCFDKJUXZPC-ZDUSSCGKSA-N 1 3 320.393 1.855 20 5 DDBDHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273811 877223732 /nfs/dbraw/zinc/22/37/32/877223732.db2.gz QNFRCFDKJUXZPC-ZDUSSCGKSA-N 1 3 320.393 1.855 20 5 DDBDHO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)CCCN(C)C ZINC000596425907 356875042 /nfs/dbraw/zinc/87/50/42/356875042.db2.gz YKURABMFHGGRDB-UHFFFAOYSA-N 1 3 312.418 1.415 20 5 DDBDHO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)CCCN(C)C ZINC000596425907 356875046 /nfs/dbraw/zinc/87/50/46/356875046.db2.gz YKURABMFHGGRDB-UHFFFAOYSA-N 1 3 312.418 1.415 20 5 DDBDHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478672 407580396 /nfs/dbraw/zinc/58/03/96/407580396.db2.gz JRIXGMMSFXWKNJ-ZDUSSCGKSA-N 1 3 320.393 1.807 20 5 DDBDHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478672 407580403 /nfs/dbraw/zinc/58/04/03/407580403.db2.gz JRIXGMMSFXWKNJ-ZDUSSCGKSA-N 1 3 320.393 1.807 20 5 DDBDHO [NH3+][C@H]1CCO[C@H](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000573855187 308253375 /nfs/dbraw/zinc/25/33/75/308253375.db2.gz WXSCDRLFTOXLIP-ZFWWWQNUSA-N 1 3 323.397 1.010 20 5 DDBDHO CCC[C@H](NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423202485 528219691 /nfs/dbraw/zinc/21/96/91/528219691.db2.gz KXGUFIINPACEKW-INIZCTEOSA-N 1 3 306.410 1.931 20 5 DDBDHO CC(COC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950231 859022078 /nfs/dbraw/zinc/02/20/78/859022078.db2.gz HEIYMZPVBRZGSY-XURPKSDJSA-N 1 3 322.361 1.849 20 5 DDBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246403285 892604064 /nfs/dbraw/zinc/60/40/64/892604064.db2.gz DZNJAGJNPDCDCR-FZMZJTMJSA-N 1 3 308.382 1.098 20 5 DDBDHO Cc1c(CN2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000262413562 407827539 /nfs/dbraw/zinc/82/75/39/407827539.db2.gz DHNXBKRFLPOGSN-HNNXBMFYSA-N 1 3 304.394 1.383 20 5 DDBDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572147936 421767420 /nfs/dbraw/zinc/76/74/20/421767420.db2.gz FSNSWIUKHCBTBM-NILFDRSVSA-N 1 3 309.366 1.316 20 5 DDBDHO [NH3+]C1(CNCCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1 ZINC000342116767 271302623 /nfs/dbraw/zinc/30/26/23/271302623.db2.gz YQYJXSLYFXPHQO-UHFFFAOYSA-N 1 3 320.349 1.364 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000261848856 698441160 /nfs/dbraw/zinc/44/11/60/698441160.db2.gz RJKNAOGYQWZXKU-MRXNPFEDSA-N 1 3 320.393 1.903 20 5 DDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000843061709 702810805 /nfs/dbraw/zinc/81/08/05/702810805.db2.gz HKAGICAJLDDELP-HZPDHXFCSA-N 1 3 323.393 1.065 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000876935838 705930086 /nfs/dbraw/zinc/93/00/86/705930086.db2.gz RSPZKJAHXJSICT-BBNOBNGHSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000876935838 705930088 /nfs/dbraw/zinc/93/00/88/705930088.db2.gz RSPZKJAHXJSICT-BBNOBNGHSA-N 1 3 305.382 1.711 20 5 DDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCC[NH3+] ZINC000592473780 355593013 /nfs/dbraw/zinc/59/30/13/355593013.db2.gz OPPBUAKZJMXVOX-UHFFFAOYSA-N 1 3 310.354 1.213 20 5 DDBDHO O=[N+]([O-])c1ccn(CCN2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000595901280 356698336 /nfs/dbraw/zinc/69/83/36/356698336.db2.gz USBHEDLSSXYQTK-AWEZNQCLSA-N 1 3 307.398 1.503 20 5 DDBDHO COc1cc(CNCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414829987 419831948 /nfs/dbraw/zinc/83/19/48/419831948.db2.gz LKUICTYAJPZEJB-NSHDSACASA-N 1 3 309.366 1.701 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423409348 420041950 /nfs/dbraw/zinc/04/19/50/420041950.db2.gz YUDDYIMMUXSNPN-JMSVASOKSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423409348 420041954 /nfs/dbraw/zinc/04/19/54/420041954.db2.gz YUDDYIMMUXSNPN-JMSVASOKSA-N 1 3 320.393 1.900 20 5 DDBDHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420360752 420236753 /nfs/dbraw/zinc/23/67/53/420236753.db2.gz LJYYRFUOVRSTGG-CQSZACIVSA-N 1 3 320.393 1.901 20 5 DDBDHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420360752 420236758 /nfs/dbraw/zinc/23/67/58/420236758.db2.gz LJYYRFUOVRSTGG-CQSZACIVSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365768 702867125 /nfs/dbraw/zinc/86/71/25/702867125.db2.gz RPCIXLZEMSHCPG-QWRGUYRKSA-N 1 3 324.356 1.732 20 5 DDBDHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847721 410284627 /nfs/dbraw/zinc/28/46/27/410284627.db2.gz BCAGRGVBRNLTPK-VXGBXAGGSA-N 1 3 306.366 1.593 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000602829546 359221564 /nfs/dbraw/zinc/22/15/64/359221564.db2.gz LMOZDJXJHPNZPX-PBWFPOADSA-N 1 3 307.398 1.657 20 5 DDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000602829546 359221569 /nfs/dbraw/zinc/22/15/69/359221569.db2.gz LMOZDJXJHPNZPX-PBWFPOADSA-N 1 3 307.398 1.657 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848658 410285766 /nfs/dbraw/zinc/28/57/66/410285766.db2.gz DSQAZABOSAZWKU-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430549972 420134640 /nfs/dbraw/zinc/13/46/40/420134640.db2.gz FICNBZVOWATSDY-INIZCTEOSA-N 1 3 320.393 1.949 20 5 DDBDHO [NH3+]CCCOC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000430582104 534617773 /nfs/dbraw/zinc/61/77/73/534617773.db2.gz KAYBJGWGRYSEOK-UHFFFAOYSA-N 1 3 323.393 1.803 20 5 DDBDHO O=[N+]([O-])CCNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000905442253 712038531 /nfs/dbraw/zinc/03/85/31/712038531.db2.gz ZZXPYLQAGXWQEY-UHFFFAOYSA-N 1 3 307.394 1.270 20 5 DDBDHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000923517223 714387294 /nfs/dbraw/zinc/38/72/94/714387294.db2.gz BCFGPIDIADLZSP-QWHCGFSZSA-N 1 3 318.377 1.465 20 5 DDBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000569976832 304388947 /nfs/dbraw/zinc/38/89/47/304388947.db2.gz ASWTWFJXHPXUEN-LSDHHAIUSA-N 1 3 323.397 1.010 20 5 DDBDHO C[NH+](C)CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341614731 411047771 /nfs/dbraw/zinc/04/77/71/411047771.db2.gz LFYDTWGQSRMNKJ-UHFFFAOYSA-N 1 3 308.382 1.030 20 5 DDBDHO Cc1c(NC(=O)CCN2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442767108 420711699 /nfs/dbraw/zinc/71/16/99/420711699.db2.gz MBTKIHXGUKKKBQ-AAEUAGOBSA-N 1 3 320.393 1.901 20 5 DDBDHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584220 879114361 /nfs/dbraw/zinc/11/43/61/879114361.db2.gz NDXCLLYAJIYGRM-KGLIPLIRSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584220 879114375 /nfs/dbraw/zinc/11/43/75/879114375.db2.gz NDXCLLYAJIYGRM-KGLIPLIRSA-N 1 3 323.393 1.266 20 5 DDBDHO [NH3+][C@@H]1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246563181 892700375 /nfs/dbraw/zinc/70/03/75/892700375.db2.gz CHTQXJDSPVFGIP-FVQBIDKESA-N 1 3 305.378 1.236 20 5 DDBDHO CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489469 355598144 /nfs/dbraw/zinc/59/81/44/355598144.db2.gz VZXGULYJPXEOMU-IUODEOHRSA-N 1 3 320.393 1.983 20 5 DDBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420310076 420199273 /nfs/dbraw/zinc/19/92/73/420199273.db2.gz LZZJSIOANACRHG-CQSZACIVSA-N 1 3 320.393 1.997 20 5 DDBDHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000519643598 421712990 /nfs/dbraw/zinc/71/29/90/421712990.db2.gz WSUGYLISVYPOJL-CHWSQXEVSA-N 1 3 320.393 1.996 20 5 DDBDHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643598 421712995 /nfs/dbraw/zinc/71/29/95/421712995.db2.gz WSUGYLISVYPOJL-CHWSQXEVSA-N 1 3 320.393 1.996 20 5 DDBDHO C[C@H]1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000415110874 279992988 /nfs/dbraw/zinc/99/29/88/279992988.db2.gz SZAHNBCXDPCWNI-UONOGXRCSA-N 1 3 319.409 1.500 20 5 DDBDHO COCC[NH+]1CCC(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765848608 701028788 /nfs/dbraw/zinc/02/87/88/701028788.db2.gz IOYQJDQNPCRNFM-MRXNPFEDSA-N 1 3 323.393 1.329 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757301 711270008 /nfs/dbraw/zinc/27/00/08/711270008.db2.gz BVUIICPYZPHSRV-DOTOQJQBSA-N 1 3 319.405 1.838 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001167880437 739171128 /nfs/dbraw/zinc/17/11/28/739171128.db2.gz NUCMTDXWIPPKRY-UHFFFAOYSA-N 1 3 320.328 1.957 20 5 DDBDHO CC[NH+](CC)CCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006755 762174756 /nfs/dbraw/zinc/17/47/56/762174756.db2.gz JIDPDCHPXWQSOA-JKSUJKDBSA-N 1 3 312.458 1.391 20 5 DDBDHO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(C)(C)N ZINC000595899976 356696772 /nfs/dbraw/zinc/69/67/72/356696772.db2.gz XCLODMDKTMZRQS-UHFFFAOYSA-N 1 3 322.365 1.562 20 5 DDBDHO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(C)(C)N ZINC000595899976 356696776 /nfs/dbraw/zinc/69/67/76/356696776.db2.gz XCLODMDKTMZRQS-UHFFFAOYSA-N 1 3 322.365 1.562 20 5 DDBDHO Cc1c(NC(=O)CCN2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430633677 420164271 /nfs/dbraw/zinc/16/42/71/420164271.db2.gz AJPQLPDSMDZYHE-ZDUSSCGKSA-N 1 3 320.393 1.903 20 5 DDBDHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430639440 420166180 /nfs/dbraw/zinc/16/61/80/420166180.db2.gz FMTKPYOTNCNWKN-LBPRGKRZSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420284744 420182368 /nfs/dbraw/zinc/18/23/68/420182368.db2.gz DKDNCDAXAHYFIY-HNNXBMFYSA-N 1 3 306.366 1.640 20 5 DDBDHO C[C@@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000562743414 303891828 /nfs/dbraw/zinc/89/18/28/303891828.db2.gz VEZPKAWQRLHNDA-ZIAGYGMSSA-N 1 3 319.409 1.500 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000841028893 702315457 /nfs/dbraw/zinc/31/54/57/702315457.db2.gz KCWZMVLZBVZDPA-UHFFFAOYSA-N 1 3 304.394 1.905 20 5 DDBDHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC000923447224 714358859 /nfs/dbraw/zinc/35/88/59/714358859.db2.gz QRVKZZOOLZICAE-ZDUSSCGKSA-N 1 3 306.366 1.320 20 5 DDBDHO C[NH+]1CCC(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133285876 769665298 /nfs/dbraw/zinc/66/52/98/769665298.db2.gz MGJHBBSMNUXEHO-UHFFFAOYSA-N 1 3 320.393 1.142 20 5 DDBDHO CC[NH+](CC)CCNC(=N)Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001163122878 868124553 /nfs/dbraw/zinc/12/45/53/868124553.db2.gz TXTHMLBSHIFZBN-UHFFFAOYSA-N 1 3 310.358 1.276 20 5 DDBDHO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218858013 877769105 /nfs/dbraw/zinc/76/91/05/877769105.db2.gz UCBNOIPETQHTTB-JTQLQIEISA-N 1 3 324.388 1.370 20 5 DDBDHO CN1CCC[C@H](C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178863948 407629469 /nfs/dbraw/zinc/62/94/69/407629469.db2.gz DEWIOKVQXNOGIW-BBRMVZONSA-N 1 3 307.394 1.902 20 5 DDBDHO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178863948 407629477 /nfs/dbraw/zinc/62/94/77/407629477.db2.gz DEWIOKVQXNOGIW-BBRMVZONSA-N 1 3 307.394 1.902 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853572 410290631 /nfs/dbraw/zinc/29/06/31/410290631.db2.gz PBSGWOHMXQKQCC-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)C)n1 ZINC000343799415 410709641 /nfs/dbraw/zinc/70/96/41/410709641.db2.gz XEOWVXGKGISIRC-NEPJUHHUSA-N 1 3 324.429 1.714 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCO[C@@]3(CC[NH2+]C3)C1)CNC2 ZINC001163322762 868352371 /nfs/dbraw/zinc/35/23/71/868352371.db2.gz KMYCXSBSUGABLP-CJNGLKHVSA-N 1 3 318.377 1.521 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731297 355978767 /nfs/dbraw/zinc/97/87/67/355978767.db2.gz WAPBNWLFXWTZQP-MCIONIFRSA-N 1 3 323.397 1.152 20 5 DDBDHO [NH3+][C@@H]1CC[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000903427086 711122345 /nfs/dbraw/zinc/12/23/45/711122345.db2.gz RSLNOQBVUUZHRG-UONOGXRCSA-N 1 3 304.394 1.844 20 5 DDBDHO CC[N@@H+]1CC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570546 879104411 /nfs/dbraw/zinc/10/44/11/879104411.db2.gz MQJJLYASOSONOP-KGLIPLIRSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570546 879104418 /nfs/dbraw/zinc/10/44/18/879104418.db2.gz MQJJLYASOSONOP-KGLIPLIRSA-N 1 3 323.393 1.266 20 5 DDBDHO CCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570546 879104426 /nfs/dbraw/zinc/10/44/26/879104426.db2.gz MQJJLYASOSONOP-KGLIPLIRSA-N 1 3 323.393 1.266 20 5 DDBDHO CC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]CC1 ZINC000591278273 355276816 /nfs/dbraw/zinc/27/68/16/355276816.db2.gz AJBNZQOVWQXOED-UHFFFAOYSA-N 1 3 321.377 1.845 20 5 DDBDHO COc1ccc(NC(=O)CCN(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473642 355592810 /nfs/dbraw/zinc/59/28/10/355592810.db2.gz LBSGHQSMTMURQO-UHFFFAOYSA-N 1 3 310.354 1.213 20 5 DDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000596360489 356863691 /nfs/dbraw/zinc/86/36/91/356863691.db2.gz MGMXFMNTLXQOAQ-JTQLQIEISA-N 1 3 301.416 1.735 20 5 DDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000596360489 356863693 /nfs/dbraw/zinc/86/36/93/356863693.db2.gz MGMXFMNTLXQOAQ-JTQLQIEISA-N 1 3 301.416 1.735 20 5 DDBDHO CN(CCCC[NH+]1CCCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000603113182 359410225 /nfs/dbraw/zinc/41/02/25/359410225.db2.gz ZBCPCKOTHLCITI-UHFFFAOYSA-N 1 3 309.414 1.989 20 5 DDBDHO Cn1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603429046 359635029 /nfs/dbraw/zinc/63/50/29/359635029.db2.gz LIJUMOIRINNHBR-ZDUSSCGKSA-N 1 3 307.398 1.540 20 5 DDBDHO C[C@H](CC[NH+](C)C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572714621 308222699 /nfs/dbraw/zinc/22/26/99/308222699.db2.gz RQYSJKBVGMQUML-GFCCVEGCSA-N 1 3 308.382 1.853 20 5 DDBDHO Cc1c[nH+]ccc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169054239 762209151 /nfs/dbraw/zinc/20/91/51/762209151.db2.gz LEPHWECFXGMSEJ-CABCVRRESA-N 1 3 304.394 1.957 20 5 DDBDHO C[NH+]1CCC(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001120015011 781723087 /nfs/dbraw/zinc/72/30/87/781723087.db2.gz RAFDZSXCYYQTPB-UHFFFAOYSA-N 1 3 319.409 1.454 20 5 DDBDHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584219 879114987 /nfs/dbraw/zinc/11/49/87/879114987.db2.gz NDXCLLYAJIYGRM-KBPBESRZSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584219 879114996 /nfs/dbraw/zinc/11/49/96/879114996.db2.gz NDXCLLYAJIYGRM-KBPBESRZSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[NH+](CC)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350161727 284162583 /nfs/dbraw/zinc/16/25/83/284162583.db2.gz PHYNVCVFHUNIIL-UHFFFAOYSA-N 1 3 309.414 1.845 20 5 DDBDHO CC(C)N(CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000420317821 420203445 /nfs/dbraw/zinc/20/34/45/420203445.db2.gz OCGRGVVUGGHNEF-UHFFFAOYSA-N 1 3 306.410 1.710 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567345834 308078455 /nfs/dbraw/zinc/07/84/55/308078455.db2.gz VTVMCALZTVGXPL-NFAWXSAZSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345834 308078457 /nfs/dbraw/zinc/07/84/57/308078457.db2.gz VTVMCALZTVGXPL-NFAWXSAZSA-N 1 3 323.393 1.407 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC000853246670 704224566 /nfs/dbraw/zinc/22/45/66/704224566.db2.gz PHZUMFAARPFDOW-UHFFFAOYSA-N 1 3 316.405 1.905 20 5 DDBDHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176972337 778358571 /nfs/dbraw/zinc/35/85/71/778358571.db2.gz WYTIVWBGCGRSBY-UHFFFAOYSA-N 1 3 322.409 1.531 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1CNCC[C@H]1CC[NH2+]C1)OCCO2 ZINC000591275519 355275228 /nfs/dbraw/zinc/27/52/28/355275228.db2.gz XLDQTPSETSHFAP-LLVKDONJSA-N 1 3 307.350 1.455 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000111824803 407417252 /nfs/dbraw/zinc/41/72/52/407417252.db2.gz VIOKWCHVSUBFDO-UHFFFAOYSA-N 1 3 304.394 1.716 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCNC2)n1 ZINC000423213262 419987421 /nfs/dbraw/zinc/98/74/21/419987421.db2.gz NERYMGOJSBMPIO-HZSPNIEDSA-N 1 3 307.398 1.864 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H]2CCC[NH2+]C2)n1 ZINC000423213262 419987425 /nfs/dbraw/zinc/98/74/25/419987425.db2.gz NERYMGOJSBMPIO-HZSPNIEDSA-N 1 3 307.398 1.864 20 5 DDBDHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795758 420716863 /nfs/dbraw/zinc/71/68/63/420716863.db2.gz VJWZDSJLGQXCTP-VXGBXAGGSA-N 1 3 306.366 1.593 20 5 DDBDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572147937 421767199 /nfs/dbraw/zinc/76/71/99/421767199.db2.gz FSNSWIUKHCBTBM-TUKIKUTGSA-N 1 3 309.366 1.316 20 5 DDBDHO C[NH+](C)CCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133040504 769426473 /nfs/dbraw/zinc/42/64/73/769426473.db2.gz UHFQCFLGXJQLAK-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO CN1CCC(N(c2cccc([N+](=O)[O-])n2)C2CC[NH2+]CC2)CC1 ZINC001158575393 864740142 /nfs/dbraw/zinc/74/01/42/864740142.db2.gz OHLATXYBDRAIJJ-UHFFFAOYSA-N 1 3 319.409 1.642 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246078540 892402185 /nfs/dbraw/zinc/40/21/85/892402185.db2.gz BERFMQQZKQYNEO-TUKIKUTGSA-N 1 3 311.357 1.178 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731294 355979040 /nfs/dbraw/zinc/97/90/40/355979040.db2.gz WAPBNWLFXWTZQP-HZSPNIEDSA-N 1 3 323.397 1.152 20 5 DDBDHO O=[N+]([O-])c1cccc(N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000038212521 407000352 /nfs/dbraw/zinc/00/03/52/407000352.db2.gz YRPBDXGVFIBKID-UHFFFAOYSA-N 1 3 304.394 1.716 20 5 DDBDHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573986 420142594 /nfs/dbraw/zinc/14/25/94/420142594.db2.gz RRAIQXGFJNZFBM-QWHCGFSZSA-N 1 3 320.393 1.983 20 5 DDBDHO CCN1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125983 /nfs/dbraw/zinc/12/59/83/271125983.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 1 3 322.409 1.561 20 5 DDBDHO CCN1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125987 /nfs/dbraw/zinc/12/59/87/271125987.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 1 3 322.409 1.561 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423409350 279247207 /nfs/dbraw/zinc/24/72/07/279247207.db2.gz YUDDYIMMUXSNPN-YWPYICTPSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423409350 279247208 /nfs/dbraw/zinc/24/72/08/279247208.db2.gz YUDDYIMMUXSNPN-YWPYICTPSA-N 1 3 320.393 1.900 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000876939558 705931039 /nfs/dbraw/zinc/93/10/39/705931039.db2.gz HNYFZIZGPYOROO-RJZJGCCBSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000876939558 705931043 /nfs/dbraw/zinc/93/10/43/705931043.db2.gz HNYFZIZGPYOROO-RJZJGCCBSA-N 1 3 305.382 1.711 20 5 DDBDHO CCOC(=O)CC1([NH3+])CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009035 762176970 /nfs/dbraw/zinc/17/69/70/762176970.db2.gz ULDFJNNEDRMCHK-STQMWFEESA-N 1 3 313.398 1.178 20 5 DDBDHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009035 762176976 /nfs/dbraw/zinc/17/69/76/762176976.db2.gz ULDFJNNEDRMCHK-STQMWFEESA-N 1 3 313.398 1.178 20 5 DDBDHO C[NH+](C)CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001132993297 769400644 /nfs/dbraw/zinc/40/06/44/769400644.db2.gz SABHQRQSVLEAQB-UHFFFAOYSA-N 1 3 320.393 1.142 20 5 DDBDHO C[NH+](C)CCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001165794642 869715262 /nfs/dbraw/zinc/71/52/62/869715262.db2.gz ZCFZXENHYHHORR-UHFFFAOYSA-N 1 3 314.411 1.204 20 5 DDBDHO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599176773 357840298 /nfs/dbraw/zinc/84/02/98/357840298.db2.gz XMDSSYMDQMDURJ-CYBMUJFWSA-N 1 3 316.361 1.352 20 5 DDBDHO Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599176773 357840302 /nfs/dbraw/zinc/84/03/02/357840302.db2.gz XMDSSYMDQMDURJ-CYBMUJFWSA-N 1 3 316.361 1.352 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCOCC[NH3+] ZINC000600733581 358300048 /nfs/dbraw/zinc/30/00/48/358300048.db2.gz AGCSKLBQFPDTEA-UHFFFAOYSA-N 1 3 324.381 1.139 20 5 DDBDHO CC(C)(O)C[NH+]1CCC(NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000602556985 359043507 /nfs/dbraw/zinc/04/35/07/359043507.db2.gz HYNNXPHIJGTBER-UHFFFAOYSA-N 1 3 321.421 1.962 20 5 DDBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877073620 705976901 /nfs/dbraw/zinc/97/69/01/705976901.db2.gz OKHLJZQPYKWHPJ-NELGMTEASA-N 1 3 307.398 1.957 20 5 DDBDHO CN1CCN(CCCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602509520 359019551 /nfs/dbraw/zinc/01/95/51/359019551.db2.gz HQFUNSUOLRDNHW-UHFFFAOYSA-N 1 3 320.437 1.755 20 5 DDBDHO Cc1c(NC(=O)CCN[C@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430579010 420144878 /nfs/dbraw/zinc/14/48/78/420144878.db2.gz PZFQLSYTTNJQDS-MRXNPFEDSA-N 1 3 320.393 1.949 20 5 DDBDHO Cn1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])n1 ZINC000877683837 706178547 /nfs/dbraw/zinc/17/85/47/706178547.db2.gz KNMJSWDFICPARN-UHFFFAOYSA-N 1 3 307.398 1.636 20 5 DDBDHO C[NH2+]CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923328791 714316336 /nfs/dbraw/zinc/31/63/36/714316336.db2.gz VMCLCEKABCFQEK-MRXNPFEDSA-N 1 3 307.394 1.950 20 5 DDBDHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199430 407551078 /nfs/dbraw/zinc/55/10/78/407551078.db2.gz ZAYUULVCSNUWAN-ZDUSSCGKSA-N 1 3 320.393 1.807 20 5 DDBDHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199430 407551081 /nfs/dbraw/zinc/55/10/81/407551081.db2.gz ZAYUULVCSNUWAN-ZDUSSCGKSA-N 1 3 320.393 1.807 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000261724691 407592762 /nfs/dbraw/zinc/59/27/62/407592762.db2.gz JMNDAIHRUPSUIH-INIZCTEOSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261724691 407592766 /nfs/dbraw/zinc/59/27/66/407592766.db2.gz JMNDAIHRUPSUIH-INIZCTEOSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000261724691 407592772 /nfs/dbraw/zinc/59/27/72/407592772.db2.gz JMNDAIHRUPSUIH-INIZCTEOSA-N 1 3 320.393 1.903 20 5 DDBDHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414849762 419840618 /nfs/dbraw/zinc/84/06/18/419840618.db2.gz YNMSCLPCKPWSIP-RYUDHWBXSA-N 1 3 308.382 1.757 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCNC2)n1 ZINC000423213263 419988044 /nfs/dbraw/zinc/98/80/44/419988044.db2.gz NERYMGOJSBMPIO-MELADBBJSA-N 1 3 307.398 1.864 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H]2CCC[NH2+]C2)n1 ZINC000423213263 419988049 /nfs/dbraw/zinc/98/80/49/419988049.db2.gz NERYMGOJSBMPIO-MELADBBJSA-N 1 3 307.398 1.864 20 5 DDBDHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420416773 420273560 /nfs/dbraw/zinc/27/35/60/420273560.db2.gz VVOOFOBBHJZKJN-CHWSQXEVSA-N 1 3 320.393 1.840 20 5 DDBDHO C[NH+]1CCC(O)(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783636120 698863682 /nfs/dbraw/zinc/86/36/82/698863682.db2.gz AZHGLHHOOKERGC-UHFFFAOYSA-N 1 3 313.785 1.795 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000841078332 702337522 /nfs/dbraw/zinc/33/75/22/702337522.db2.gz AZAPGYFAFLIRFY-ZSHCYNCHSA-N 1 3 302.378 1.371 20 5 DDBDHO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000818972943 704038832 /nfs/dbraw/zinc/03/88/32/704038832.db2.gz PHWLLUZTRRYJAF-WBMJQRKESA-N 1 3 305.378 1.702 20 5 DDBDHO O=[N+]([O-])CCNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000905204448 711967614 /nfs/dbraw/zinc/96/76/14/711967614.db2.gz ZOHVMXLZDIAGDQ-UHFFFAOYSA-N 1 3 307.394 1.570 20 5 DDBDHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000923454949 714361271 /nfs/dbraw/zinc/36/12/71/714361271.db2.gz JOUVEDQRCBHCNQ-CQSZACIVSA-N 1 3 305.378 1.925 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001157096611 863573634 /nfs/dbraw/zinc/57/36/34/863573634.db2.gz LDMMRCGIXAJMPX-UHFFFAOYSA-N 1 3 303.326 1.213 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246078523 892403238 /nfs/dbraw/zinc/40/32/38/892403238.db2.gz BERFMQQZKQYNEO-BYCMXARLSA-N 1 3 311.357 1.178 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262151678 407755268 /nfs/dbraw/zinc/75/52/68/407755268.db2.gz RHRIKHXUXMMEHZ-INIZCTEOSA-N 1 3 304.394 1.383 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351853570 410288466 /nfs/dbraw/zinc/28/84/66/410288466.db2.gz PBSGWOHMXQKQCC-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO CC[NH+]1CCC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000554635244 421656779 /nfs/dbraw/zinc/65/67/79/421656779.db2.gz BYNNLWXHQNUHEG-OAHLLOKOSA-N 1 3 323.393 1.408 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000842471280 702724654 /nfs/dbraw/zinc/72/46/54/702724654.db2.gz SUSYVFLEFOMCQW-AWEZNQCLSA-N 1 3 304.394 1.716 20 5 DDBDHO CN(C)C1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001129351086 762772192 /nfs/dbraw/zinc/77/21/92/762772192.db2.gz KEEQAOOJTFRSQX-UHFFFAOYSA-N 1 3 320.393 1.285 20 5 DDBDHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001129351588 762782236 /nfs/dbraw/zinc/78/22/36/762782236.db2.gz LDTOXMYDWXVMDC-UHFFFAOYSA-N 1 3 320.393 1.285 20 5 DDBDHO C[NH+](C)CCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001148352548 773446506 /nfs/dbraw/zinc/44/65/06/773446506.db2.gz LRCMJZDJVDBBAW-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CC(C)Oc1nc(NC(=N)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001157099675 863576224 /nfs/dbraw/zinc/57/62/24/863576224.db2.gz SEXMXZPBZIEHOI-UHFFFAOYSA-N 1 3 310.358 1.452 20 5 DDBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC23CC(C2)CN3)n1 ZINC000596655749 356943692 /nfs/dbraw/zinc/94/36/92/356943692.db2.gz YMPOMNMHHOOICJ-FMPXUHTOSA-N 1 3 305.382 1.617 20 5 DDBDHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478673 407579626 /nfs/dbraw/zinc/57/96/26/407579626.db2.gz JRIXGMMSFXWKNJ-CYBMUJFWSA-N 1 3 320.393 1.807 20 5 DDBDHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478673 407579631 /nfs/dbraw/zinc/57/96/31/407579631.db2.gz JRIXGMMSFXWKNJ-CYBMUJFWSA-N 1 3 320.393 1.807 20 5 DDBDHO O=[N+]([O-])c1ccn(CCN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000176229180 408317776 /nfs/dbraw/zinc/31/77/76/408317776.db2.gz GIXJHCXRJYHLNS-UHFFFAOYSA-N 1 3 307.398 1.599 20 5 DDBDHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847719 410285845 /nfs/dbraw/zinc/28/58/45/410285845.db2.gz BCAGRGVBRNLTPK-NWDGAFQWSA-N 1 3 306.366 1.593 20 5 DDBDHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861985 410300969 /nfs/dbraw/zinc/30/09/69/410300969.db2.gz MUSIOBQQRLQKGG-RYUDHWBXSA-N 1 3 306.366 1.593 20 5 DDBDHO [NH3+]CCCOC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000430587991 420149141 /nfs/dbraw/zinc/14/91/41/420149141.db2.gz YBIVRKHUBRMKAQ-UHFFFAOYSA-N 1 3 323.393 1.803 20 5 DDBDHO CC[NH+](CC)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548826139 421477143 /nfs/dbraw/zinc/47/71/43/421477143.db2.gz WPDBKAUJVIOPFH-UHFFFAOYSA-N 1 3 308.382 1.855 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351405 281022048 /nfs/dbraw/zinc/02/20/48/281022048.db2.gz WYGSUEROXXCTFI-GOEBONIOSA-N 1 3 318.421 1.944 20 5 DDBDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC[N+](=O)[O-] ZINC000929806748 713694221 /nfs/dbraw/zinc/69/42/21/713694221.db2.gz SMZVUXWBWMYNPD-UHFFFAOYSA-N 1 3 312.458 1.391 20 5 DDBDHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130418941 767521446 /nfs/dbraw/zinc/52/14/46/767521446.db2.gz DBOCTZFWISJKDK-UHFFFAOYSA-N 1 3 322.409 1.531 20 5 DDBDHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130418941 767521451 /nfs/dbraw/zinc/52/14/51/767521451.db2.gz DBOCTZFWISJKDK-UHFFFAOYSA-N 1 3 322.409 1.531 20 5 DDBDHO C[NH+](C)CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001132992904 769400477 /nfs/dbraw/zinc/40/04/77/769400477.db2.gz JAQNIQWMSVMXEZ-UHFFFAOYSA-N 1 3 320.393 1.142 20 5 DDBDHO Cn1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430024 359635335 /nfs/dbraw/zinc/63/53/35/359635335.db2.gz QIVYWIIUNRJICL-STQMWFEESA-N 1 3 307.398 1.540 20 5 DDBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397759 297108190 /nfs/dbraw/zinc/10/81/90/297108190.db2.gz OLGZZMACYXHYQQ-RFGFWPKPSA-N 1 3 307.398 1.863 20 5 DDBDHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397759 297108192 /nfs/dbraw/zinc/10/81/92/297108192.db2.gz OLGZZMACYXHYQQ-RFGFWPKPSA-N 1 3 307.398 1.863 20 5 DDBDHO O=[N+]([O-])c1ccc(Cl)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000841031193 702316215 /nfs/dbraw/zinc/31/62/15/702316215.db2.gz YOJHFWKIFNOAQV-UHFFFAOYSA-N 1 3 312.801 1.633 20 5 DDBDHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001152439209 863347413 /nfs/dbraw/zinc/34/74/13/863347413.db2.gz FFPBWFUEWILONL-UHFFFAOYSA-N 1 3 308.382 1.141 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731307 355978828 /nfs/dbraw/zinc/97/88/28/355978828.db2.gz WCHFYTQKAFFCGX-VHDGCEQUSA-N 1 3 323.397 1.152 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414784694 224394589 /nfs/dbraw/zinc/39/45/89/224394589.db2.gz ITTHDORWKFYQFJ-CVEARBPZSA-N 1 3 305.378 1.923 20 5 DDBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000569976823 304389072 /nfs/dbraw/zinc/38/90/72/304389072.db2.gz ASWTWFJXHPXUEN-CABCVRRESA-N 1 3 323.397 1.010 20 5 DDBDHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637222 407564722 /nfs/dbraw/zinc/56/47/22/407564722.db2.gz FZJQGERRMKWJKZ-OAHLLOKOSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637222 407564728 /nfs/dbraw/zinc/56/47/28/407564728.db2.gz FZJQGERRMKWJKZ-OAHLLOKOSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637222 407564731 /nfs/dbraw/zinc/56/47/31/407564731.db2.gz FZJQGERRMKWJKZ-OAHLLOKOSA-N 1 3 306.366 1.594 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078489862 407030550 /nfs/dbraw/zinc/03/05/50/407030550.db2.gz PXBQSAMTTBUBJN-UHFFFAOYSA-N 1 3 323.397 1.552 20 5 DDBDHO C[NH+]1CCC2(CCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367198439 418569575 /nfs/dbraw/zinc/56/95/75/418569575.db2.gz BUHWAAYTULUCQR-UHFFFAOYSA-N 1 3 307.398 1.599 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])C1CC1 ZINC000423282136 420000906 /nfs/dbraw/zinc/00/09/06/420000906.db2.gz UZEDRKKAKSXGPY-YGRLFVJLSA-N 1 3 306.366 1.639 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000430624883 420161792 /nfs/dbraw/zinc/16/17/92/420161792.db2.gz JMJVVPLSUTZERK-CYBMUJFWSA-N 1 3 320.393 1.903 20 5 DDBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000843061703 702810718 /nfs/dbraw/zinc/81/07/18/702810718.db2.gz HKAGICAJLDDELP-CVEARBPZSA-N 1 3 323.393 1.065 20 5 DDBDHO NC[C@@]1(O)CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564302 892701830 /nfs/dbraw/zinc/70/18/30/892701830.db2.gz XHKYEOACEBKMRH-HOTGVXAUSA-N 1 3 305.378 1.238 20 5 DDBDHO NC[C@@]1(O)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564302 892701843 /nfs/dbraw/zinc/70/18/43/892701843.db2.gz XHKYEOACEBKMRH-HOTGVXAUSA-N 1 3 305.378 1.238 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CCCC[NH3+])CC1 ZINC001254548678 896499659 /nfs/dbraw/zinc/49/96/59/896499659.db2.gz KFSNLRIQVGEUGO-HNNXBMFYSA-N 1 3 320.437 1.882 20 5 DDBDHO O=[N+]([O-])c1ccccc1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420300053 285163616 /nfs/dbraw/zinc/16/36/16/285163616.db2.gz GZVDRHRRVXNTBF-AWEZNQCLSA-N 1 3 304.394 1.716 20 5 DDBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422743444 227149073 /nfs/dbraw/zinc/14/90/73/227149073.db2.gz RHVIJIVXRKOSID-YESZJQIVSA-N 1 3 319.405 1.884 20 5 DDBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000430586418 420149539 /nfs/dbraw/zinc/14/95/39/420149539.db2.gz SQMVIBABCDMEFU-UHFFFAOYSA-N 1 3 308.382 1.840 20 5 DDBDHO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN ZINC000430586418 420149542 /nfs/dbraw/zinc/14/95/42/420149542.db2.gz SQMVIBABCDMEFU-UHFFFAOYSA-N 1 3 308.382 1.840 20 5 DDBDHO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN ZINC000430586418 420149546 /nfs/dbraw/zinc/14/95/46/420149546.db2.gz SQMVIBABCDMEFU-UHFFFAOYSA-N 1 3 308.382 1.840 20 5 DDBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261653150 698431240 /nfs/dbraw/zinc/43/12/40/698431240.db2.gz FMYAGBAYEAEZHF-GXTWGEPZSA-N 1 3 320.393 1.443 20 5 DDBDHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135508283 771541795 /nfs/dbraw/zinc/54/17/95/771541795.db2.gz JCQGCEMWXFHFPH-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC001336754489 869125418 /nfs/dbraw/zinc/12/54/18/869125418.db2.gz LRQAONLEWKGULJ-QWHCGFSZSA-N 1 3 311.382 1.264 20 5 DDBDHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273805 877224033 /nfs/dbraw/zinc/22/40/33/877224033.db2.gz QNFRCFDKJUXZPC-CYBMUJFWSA-N 1 3 320.393 1.855 20 5 DDBDHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273805 877224046 /nfs/dbraw/zinc/22/40/46/877224046.db2.gz QNFRCFDKJUXZPC-CYBMUJFWSA-N 1 3 320.393 1.855 20 5 DDBDHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273805 877224061 /nfs/dbraw/zinc/22/40/61/877224061.db2.gz QNFRCFDKJUXZPC-CYBMUJFWSA-N 1 3 320.393 1.855 20 5 DDBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261653155 698431253 /nfs/dbraw/zinc/43/12/53/698431253.db2.gz FMYAGBAYEAEZHF-JSGCOSHPSA-N 1 3 320.393 1.443 20 5 DDBDHO CN1CCC[N@H+](CCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000729683506 699485102 /nfs/dbraw/zinc/48/51/02/699485102.db2.gz UVZKIKHNUQPMFS-UHFFFAOYSA-N 1 3 306.410 1.712 20 5 DDBDHO CN1CCC[N@@H+](CCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000729683506 699485104 /nfs/dbraw/zinc/48/51/04/699485104.db2.gz UVZKIKHNUQPMFS-UHFFFAOYSA-N 1 3 306.410 1.712 20 5 DDBDHO CCN(CC)CCNC(=[NH2+])Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001163128577 868132889 /nfs/dbraw/zinc/13/28/89/868132889.db2.gz LVAJWQLJHOQOSL-UHFFFAOYSA-N 1 3 319.369 1.749 20 5 DDBDHO C[C@@H](CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC001353298241 877238512 /nfs/dbraw/zinc/23/85/12/877238512.db2.gz RVQGSUCOYOXWPT-JSGCOSHPSA-N 1 3 311.382 1.264 20 5 DDBDHO NC[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246577606 892711993 /nfs/dbraw/zinc/71/19/93/892711993.db2.gz BNXMRBSWHQXUTG-OFQRWUPVSA-N 1 3 305.378 1.094 20 5 DDBDHO NC[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246577606 892711997 /nfs/dbraw/zinc/71/19/97/892711997.db2.gz BNXMRBSWHQXUTG-OFQRWUPVSA-N 1 3 305.378 1.094 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH3+])C1CC1 ZINC000414798983 533448719 /nfs/dbraw/zinc/44/87/19/533448719.db2.gz CXHDBHARIOVZSI-HZMBPMFUSA-N 1 3 306.366 1.639 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000103212113 407333938 /nfs/dbraw/zinc/33/39/38/407333938.db2.gz OGDRBDWVJHZASJ-UHFFFAOYSA-N 1 3 308.382 1.160 20 5 DDBDHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420301702 420191631 /nfs/dbraw/zinc/19/16/31/420191631.db2.gz IUFZPBOSIQMUFZ-HNNXBMFYSA-N 1 3 308.382 1.886 20 5 DDBDHO CC[NH+]1CCC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000554635243 421656254 /nfs/dbraw/zinc/65/62/54/421656254.db2.gz BYNNLWXHQNUHEG-HNNXBMFYSA-N 1 3 323.393 1.408 20 5 DDBDHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362908 702866802 /nfs/dbraw/zinc/86/68/02/702866802.db2.gz UNHAUDYIRSHNQE-QWRGUYRKSA-N 1 3 324.356 1.732 20 5 DDBDHO C[C@@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000895291656 711477898 /nfs/dbraw/zinc/47/78/98/711477898.db2.gz HTLXXOSFFGPSRA-ZDUSSCGKSA-N 1 3 321.425 1.888 20 5 DDBDHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905290590 711994446 /nfs/dbraw/zinc/99/44/46/711994446.db2.gz KMYDQPZXMZQUOZ-HZPDHXFCSA-N 1 3 307.394 1.390 20 5 DDBDHO C[NH+](C)CC1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000931486857 714109222 /nfs/dbraw/zinc/10/92/22/714109222.db2.gz YPGDSEQIYMLOKR-UHFFFAOYSA-N 1 3 323.393 1.362 20 5 DDBDHO Cc1c[nH+]ccc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169054242 762208814 /nfs/dbraw/zinc/20/88/14/762208814.db2.gz LEPHWECFXGMSEJ-LSDHHAIUSA-N 1 3 304.394 1.957 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157097183 863573760 /nfs/dbraw/zinc/57/37/60/863573760.db2.gz TXTKPGWMHGNUTP-UHFFFAOYSA-N 1 3 302.338 1.818 20 5 DDBDHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289327 877232538 /nfs/dbraw/zinc/23/25/38/877232538.db2.gz XTBBAZJKTSVQNZ-DZGCQCFKSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289327 877232552 /nfs/dbraw/zinc/23/25/52/877232552.db2.gz XTBBAZJKTSVQNZ-DZGCQCFKSA-N 1 3 323.393 1.266 20 5 DDBDHO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218858014 877770896 /nfs/dbraw/zinc/77/08/96/877770896.db2.gz UCBNOIPETQHTTB-SNVBAGLBSA-N 1 3 324.388 1.370 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000430591431 292293317 /nfs/dbraw/zinc/29/33/17/292293317.db2.gz FMNHIQANIHPSIL-MRXNPFEDSA-N 1 3 320.393 1.949 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)cn1 ZINC000574041050 308260261 /nfs/dbraw/zinc/26/02/61/308260261.db2.gz XNSBSHUKONUDLK-UHFFFAOYSA-N 1 3 319.409 1.502 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001167881243 739173271 /nfs/dbraw/zinc/17/32/71/739173271.db2.gz YQHRRMQRUDHZGE-UHFFFAOYSA-N 1 3 309.355 1.275 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1NCC[C@H]1CCOC13C[NH2+]C3)CNC2 ZINC001163094148 868085915 /nfs/dbraw/zinc/08/59/15/868085915.db2.gz HATGKAQBRQLMME-ZDUSSCGKSA-N 1 3 318.377 1.379 20 5 DDBDHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC001336754487 869125434 /nfs/dbraw/zinc/12/54/34/869125434.db2.gz LRQAONLEWKGULJ-CHWSQXEVSA-N 1 3 311.382 1.264 20 5 DDBDHO Cc1c(NC(=O)CCN(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736955 358301711 /nfs/dbraw/zinc/30/17/11/358301711.db2.gz UDONYEGWRWUITA-UHFFFAOYSA-N 1 3 324.381 1.139 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000414827417 419828153 /nfs/dbraw/zinc/82/81/53/419828153.db2.gz KQDBZMLPZRSOSR-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCNC1 ZINC000414827417 419828161 /nfs/dbraw/zinc/82/81/61/419828161.db2.gz KQDBZMLPZRSOSR-STQMWFEESA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423212738 419987715 /nfs/dbraw/zinc/98/77/15/419987715.db2.gz MFKZVYODOCUMOG-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423212738 419987717 /nfs/dbraw/zinc/98/77/17/419987717.db2.gz MFKZVYODOCUMOG-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397766 420037468 /nfs/dbraw/zinc/03/74/68/420037468.db2.gz OLGZZMACYXHYQQ-XJFOESAGSA-N 1 3 307.398 1.863 20 5 DDBDHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423397766 420037472 /nfs/dbraw/zinc/03/74/72/420037472.db2.gz OLGZZMACYXHYQQ-XJFOESAGSA-N 1 3 307.398 1.863 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430591430 420149670 /nfs/dbraw/zinc/14/96/70/420149670.db2.gz FMNHIQANIHPSIL-INIZCTEOSA-N 1 3 320.393 1.949 20 5 DDBDHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420416775 420273538 /nfs/dbraw/zinc/27/35/38/420273538.db2.gz VVOOFOBBHJZKJN-OLZOCXBDSA-N 1 3 320.393 1.840 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000516264575 421538835 /nfs/dbraw/zinc/53/88/35/421538835.db2.gz NAIWZPLUAWGHAG-ZDUSSCGKSA-N 1 3 305.382 1.111 20 5 DDBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCN(C)CC1 ZINC000873058778 707712738 /nfs/dbraw/zinc/71/27/38/707712738.db2.gz IYLVCBAIUSNBDQ-UHFFFAOYSA-N 1 3 307.394 1.758 20 5 DDBDHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199433 407549706 /nfs/dbraw/zinc/54/97/06/407549706.db2.gz ZAYUULVCSNUWAN-CYBMUJFWSA-N 1 3 320.393 1.807 20 5 DDBDHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199433 407549712 /nfs/dbraw/zinc/54/97/12/407549712.db2.gz ZAYUULVCSNUWAN-CYBMUJFWSA-N 1 3 320.393 1.807 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000430624885 420162349 /nfs/dbraw/zinc/16/23/49/420162349.db2.gz JMJVVPLSUTZERK-ZDUSSCGKSA-N 1 3 320.393 1.903 20 5 DDBDHO CC(C)N1CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877525247 706131802 /nfs/dbraw/zinc/13/18/02/706131802.db2.gz WQZUZEBFGKKWMX-IYXRBSQSSA-N 1 3 307.398 1.815 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376773 714333803 /nfs/dbraw/zinc/33/38/03/714333803.db2.gz ONNFBDWTSQZIQR-CQSZACIVSA-N 1 3 305.378 1.448 20 5 DDBDHO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001168999009 762170992 /nfs/dbraw/zinc/17/09/92/762170992.db2.gz QZDCGUCUHGMVKC-JONQDZQNSA-N 1 3 311.426 1.665 20 5 DDBDHO CN1CC(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C1 ZINC001170256358 766205735 /nfs/dbraw/zinc/20/57/35/766205735.db2.gz IAEWKWZPMJJTGU-UHFFFAOYSA-N 1 3 308.382 1.509 20 5 DDBDHO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000600723677 358296972 /nfs/dbraw/zinc/29/69/72/358296972.db2.gz DESRZXMMXWFVSZ-CQSZACIVSA-N 1 3 309.366 1.020 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261807868 407622019 /nfs/dbraw/zinc/62/20/19/407622019.db2.gz OOECQZJXFXYRCG-INIZCTEOSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](C)(CN)C2)cccc1[N+](=O)[O-] ZINC000261807868 407622026 /nfs/dbraw/zinc/62/20/26/407622026.db2.gz OOECQZJXFXYRCG-INIZCTEOSA-N 1 3 320.393 1.903 20 5 DDBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@@](C)(CN)C2)cccc1[N+](=O)[O-] ZINC000261807868 407622031 /nfs/dbraw/zinc/62/20/31/407622031.db2.gz OOECQZJXFXYRCG-INIZCTEOSA-N 1 3 320.393 1.903 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C[NH3+])C1CC1 ZINC000414798988 533688996 /nfs/dbraw/zinc/68/89/96/533688996.db2.gz CXHDBHARIOVZSI-QMTHXVAHSA-N 1 3 306.366 1.639 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414948172 279247494 /nfs/dbraw/zinc/24/74/94/279247494.db2.gz XWMKGLSEEIGUCZ-YWPYICTPSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414948172 279247496 /nfs/dbraw/zinc/24/74/96/279247496.db2.gz XWMKGLSEEIGUCZ-YWPYICTPSA-N 1 3 320.393 1.900 20 5 DDBDHO COc1cc([C@@H](C)NCC2(O)CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903100869 711032212 /nfs/dbraw/zinc/03/22/12/711032212.db2.gz WDCZBXWUKMHOCT-GFCCVEGCSA-N 1 3 323.393 1.711 20 5 DDBDHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009034 762176952 /nfs/dbraw/zinc/17/69/52/762176952.db2.gz ULDFJNNEDRMCHK-QWHCGFSZSA-N 1 3 313.398 1.178 20 5 DDBDHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009034 762176958 /nfs/dbraw/zinc/17/69/58/762176958.db2.gz ULDFJNNEDRMCHK-QWHCGFSZSA-N 1 3 313.398 1.178 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000423192480 533446560 /nfs/dbraw/zinc/44/65/60/533446560.db2.gz VOBQXWFVPWOWCZ-NSHDSACASA-N 1 3 306.366 1.654 20 5 DDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCNCC1 ZINC000423192480 533446565 /nfs/dbraw/zinc/44/65/65/533446565.db2.gz VOBQXWFVPWOWCZ-NSHDSACASA-N 1 3 306.366 1.654 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853571 410289535 /nfs/dbraw/zinc/28/95/35/410289535.db2.gz PBSGWOHMXQKQCC-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000449095511 420948461 /nfs/dbraw/zinc/94/84/61/420948461.db2.gz ZBGKHKQLOLBYHY-GDBMZVCRSA-N 1 3 321.421 1.962 20 5 DDBDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572147934 421767485 /nfs/dbraw/zinc/76/74/85/421767485.db2.gz FSNSWIUKHCBTBM-CQDKDKBSSA-N 1 3 309.366 1.316 20 5 DDBDHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365766 702867103 /nfs/dbraw/zinc/86/71/03/702867103.db2.gz RPCIXLZEMSHCPG-GHMZBOCLSA-N 1 3 324.356 1.732 20 5 DDBDHO CCCN1CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964377 705940929 /nfs/dbraw/zinc/94/09/29/705940929.db2.gz YZOPFSNGDNMUSO-IYXRBSQSSA-N 1 3 307.398 1.816 20 5 DDBDHO C[NH+](C)CC1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931484106 714108445 /nfs/dbraw/zinc/10/84/45/714108445.db2.gz KTBYZLPLWPHFMY-UHFFFAOYSA-N 1 3 323.393 1.362 20 5 DDBDHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289335 877233822 /nfs/dbraw/zinc/23/38/22/877233822.db2.gz XTBBAZJKTSVQNZ-ZFWWWQNUSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289335 877233834 /nfs/dbraw/zinc/23/38/34/877233834.db2.gz XTBBAZJKTSVQNZ-ZFWWWQNUSA-N 1 3 323.393 1.266 20 5 DDBDHO Cc1noc2nc(O[C@@H](C)C[N+](C)(C)C)c3c(c12)CCNC3 ZINC001218356579 877459484 /nfs/dbraw/zinc/45/94/84/877459484.db2.gz QVXRGCZRSDUKHV-JTQLQIEISA-N 1 3 305.402 1.650 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430921538 420207014 /nfs/dbraw/zinc/20/70/14/420207014.db2.gz YMZQDYSJTZKDBP-GFCCVEGCSA-N 1 3 306.366 1.512 20 5 DDBDHO CC1(C)C[C@@H](NCCN2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423211456 275860342 /nfs/dbraw/zinc/86/03/42/275860342.db2.gz YFZIQJJHYVQLBT-MRXNPFEDSA-N 1 3 318.421 1.812 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000842471281 702724727 /nfs/dbraw/zinc/72/47/27/702724727.db2.gz SUSYVFLEFOMCQW-CQSZACIVSA-N 1 3 304.394 1.716 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925788896 714935631 /nfs/dbraw/zinc/93/56/31/714935631.db2.gz DCUIVFAYURRXFZ-UPJWGTAASA-N 1 3 320.393 1.757 20 5 DDBDHO Cc1noc2nc(O[C@H](C)C[N+](C)(C)C)c3c(c12)CCNC3 ZINC001218356581 877458356 /nfs/dbraw/zinc/45/83/56/877458356.db2.gz QVXRGCZRSDUKHV-SNVBAGLBSA-N 1 3 305.402 1.650 20 5 DDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000430961966 533224215 /nfs/dbraw/zinc/22/42/15/533224215.db2.gz GGDPANIGNHJWAH-NSHDSACASA-N 1 3 322.365 1.213 20 5 DDBDHO C[C@@](C[NH3+])(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000843355743 702865638 /nfs/dbraw/zinc/86/56/38/702865638.db2.gz ISWHJNGVZYWGFX-HNNXBMFYSA-N 1 3 324.356 1.780 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968542 711350919 /nfs/dbraw/zinc/35/09/19/711350919.db2.gz XVYXICUDDXAJRM-UPJWGTAASA-N 1 3 320.393 1.757 20 5 DDBDHO CCCN(C)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148638505 773561588 /nfs/dbraw/zinc/56/15/88/773561588.db2.gz JFRCOVVNRATUKX-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176972241 778358614 /nfs/dbraw/zinc/35/86/14/778358614.db2.gz SBJKITRMHIXHMC-UHFFFAOYSA-N 1 3 322.409 1.531 20 5 DDBDHO C[NH2+][C@H](C)CCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001118058178 781010444 /nfs/dbraw/zinc/01/04/44/781010444.db2.gz WTUJAFLXQUMLKV-VXGBXAGGSA-N 1 3 308.382 1.900 20 5 DDBDHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289332 877232922 /nfs/dbraw/zinc/23/29/22/877232922.db2.gz XTBBAZJKTSVQNZ-UKRRQHHQSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289332 877232937 /nfs/dbraw/zinc/23/29/37/877232937.db2.gz XTBBAZJKTSVQNZ-UKRRQHHQSA-N 1 3 323.393 1.266 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[C@H](N)C(N)=O ZINC001246413070 892610228 /nfs/dbraw/zinc/61/02/28/892610228.db2.gz FSSMBFYFDWJBEF-AAEUAGOBSA-N 1 3 308.382 1.098 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000566115246 304119934 /nfs/dbraw/zinc/11/99/34/304119934.db2.gz IHSSANDHDBUBME-HZSPNIEDSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115246 304119935 /nfs/dbraw/zinc/11/99/35/304119935.db2.gz IHSSANDHDBUBME-HZSPNIEDSA-N 1 3 323.393 1.407 20 5 DDBDHO O=[N+]([O-])c1ccccc1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420300054 285163614 /nfs/dbraw/zinc/16/36/14/285163614.db2.gz GZVDRHRRVXNTBF-CQSZACIVSA-N 1 3 304.394 1.716 20 5 DDBDHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000104532688 407351416 /nfs/dbraw/zinc/35/14/16/407351416.db2.gz SJBLXYWAZIGZTL-UHFFFAOYSA-N 1 3 322.409 1.469 20 5 DDBDHO [NH3+]C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712337 422412339 /nfs/dbraw/zinc/41/23/39/422412339.db2.gz WWNDUXYYXMNSHK-STQMWFEESA-N 1 3 323.397 1.373 20 5 DDBDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582797 701900572 /nfs/dbraw/zinc/90/05/72/701900572.db2.gz PMAKCLDRGVSGQF-NSHDSACASA-N 1 3 308.382 1.284 20 5 DDBDHO N[C@@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001159779306 771923383 /nfs/dbraw/zinc/92/33/83/771923383.db2.gz FDBPZNUSNZPHOL-MRVPVSSYSA-N 1 3 309.704 1.306 20 5 DDBDHO C[NH2+][C@@H](C)CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001118058175 781010891 /nfs/dbraw/zinc/01/08/91/781010891.db2.gz WTUJAFLXQUMLKV-RYUDHWBXSA-N 1 3 308.382 1.900 20 5 DDBDHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608191 896530398 /nfs/dbraw/zinc/53/03/98/896530398.db2.gz PGQNOMMONJWUSZ-DJIMGWMZSA-N 1 3 301.390 1.946 20 5 DDBDHO CN1CCC[N@H+](CCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000105476814 353936299 /nfs/dbraw/zinc/93/62/99/353936299.db2.gz YRFCCGMNBASEHX-UHFFFAOYSA-N 1 3 306.410 1.712 20 5 DDBDHO CN1CCC[N@@H+](CCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000105476814 353936301 /nfs/dbraw/zinc/93/63/01/353936301.db2.gz YRFCCGMNBASEHX-UHFFFAOYSA-N 1 3 306.410 1.712 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC13CC[NH2+]CC3)OCCO2 ZINC000591281823 355277876 /nfs/dbraw/zinc/27/78/76/355277876.db2.gz MITSDTBVXPISSH-OAHLLOKOSA-N 1 3 319.361 1.598 20 5 DDBDHO CN(C/C=C/c1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592428483 355580650 /nfs/dbraw/zinc/58/06/50/355580650.db2.gz RDABHRLWNOESMT-GQCTYLIASA-N 1 3 304.394 1.445 20 5 DDBDHO C[NH+](C)CCCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000123432373 407328576 /nfs/dbraw/zinc/32/85/76/407328576.db2.gz LVNKROZJJUSMOG-UHFFFAOYSA-N 1 3 309.414 1.845 20 5 DDBDHO [NH3+]CCCOC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430581676 420145053 /nfs/dbraw/zinc/14/50/53/420145053.db2.gz VDNPDKRLKDQMPC-UHFFFAOYSA-N 1 3 323.393 1.803 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000430605214 420154789 /nfs/dbraw/zinc/15/47/89/420154789.db2.gz QCPOLVDGPSIKNE-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000430605214 420154795 /nfs/dbraw/zinc/15/47/95/420154795.db2.gz QCPOLVDGPSIKNE-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCNCC1 ZINC000430605214 420154798 /nfs/dbraw/zinc/15/47/98/420154798.db2.gz QCPOLVDGPSIKNE-UHFFFAOYSA-N 1 3 320.393 1.916 20 5 DDBDHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130419289 767523618 /nfs/dbraw/zinc/52/36/18/767523618.db2.gz SOOSAMIJULXWTN-UHFFFAOYSA-N 1 3 322.409 1.531 20 5 DDBDHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130419289 767523620 /nfs/dbraw/zinc/52/36/20/767523620.db2.gz SOOSAMIJULXWTN-UHFFFAOYSA-N 1 3 322.409 1.531 20 5 DDBDHO CC[NH+](CC)CCNC(=N)Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163126289 868131124 /nfs/dbraw/zinc/13/11/24/868131124.db2.gz QFXQONGLFJIELX-UHFFFAOYSA-N 1 3 314.777 1.921 20 5 DDBDHO CC[N@@H+]1CC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189728 873640263 /nfs/dbraw/zinc/64/02/63/873640263.db2.gz AMNJTTNWCKTIHE-DZGCQCFKSA-N 1 3 323.393 1.266 20 5 DDBDHO CC[N@H+]1CC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189728 873640272 /nfs/dbraw/zinc/64/02/72/873640272.db2.gz AMNJTTNWCKTIHE-DZGCQCFKSA-N 1 3 323.393 1.266 20 5 DDBDHO CCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189728 873640277 /nfs/dbraw/zinc/64/02/77/873640277.db2.gz AMNJTTNWCKTIHE-DZGCQCFKSA-N 1 3 323.393 1.266 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CN ZINC000430574946 420144193 /nfs/dbraw/zinc/14/41/93/420144193.db2.gz PJHVPJYDXAUDMA-ZDUSSCGKSA-N 1 3 306.366 1.655 20 5 DDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1CN ZINC000430574946 420144196 /nfs/dbraw/zinc/14/41/96/420144196.db2.gz PJHVPJYDXAUDMA-ZDUSSCGKSA-N 1 3 306.366 1.655 20 5 DDBDHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843348165 702864102 /nfs/dbraw/zinc/86/41/02/702864102.db2.gz ACHTXHSAUMQXGG-SNVBAGLBSA-N 1 3 310.329 1.343 20 5 DDBDHO Nc1ccc2n(C(=O)[C@H](N)CCC[NH3+])c3ccccc3cc-2c1=O ZINC001219253567 878059629 /nfs/dbraw/zinc/05/96/29/878059629.db2.gz AJVHUPDIOUSBRZ-CQSZACIVSA-N 1 3 324.384 1.395 20 5 DDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCC[NH3+] ZINC000592473862 355593605 /nfs/dbraw/zinc/59/36/05/355593605.db2.gz RYYBTGXPUOSCCY-UHFFFAOYSA-N 1 3 310.354 1.213 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC23CC(C2)CN3)n1 ZINC000596655751 356943897 /nfs/dbraw/zinc/94/38/97/356943897.db2.gz YMPOMNMHHOOICJ-SBEAFCBVSA-N 1 3 305.382 1.617 20 5 DDBDHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261690499 407580368 /nfs/dbraw/zinc/58/03/68/407580368.db2.gz KSHOIKIJSDMPCN-OAHLLOKOSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261846265 407636897 /nfs/dbraw/zinc/63/68/97/407636897.db2.gz ZFQDQPMLGOXDSQ-STQMWFEESA-N 1 3 320.393 1.443 20 5 DDBDHO C[C@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000562743411 421409940 /nfs/dbraw/zinc/40/99/40/421409940.db2.gz VEZPKAWQRLHNDA-KBPBESRZSA-N 1 3 319.409 1.500 20 5 DDBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757304 711269955 /nfs/dbraw/zinc/26/99/55/711269955.db2.gz BVUIICPYZPHSRV-WBVHZDCISA-N 1 3 319.405 1.838 20 5 DDBDHO C[NH+](C)CCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001148360621 773457063 /nfs/dbraw/zinc/45/70/63/773457063.db2.gz YDGBCLOBBWXYBI-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148638742 773561697 /nfs/dbraw/zinc/56/16/97/773561697.db2.gz PUQHOQYRLAEZSI-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1NC[C@H]1OC[C@H]3C[NH2+]CC[C@H]31)CNC2 ZINC001163171177 868184602 /nfs/dbraw/zinc/18/46/02/868184602.db2.gz JPGXSHFEWSSFJS-XJKCOSOUSA-N 1 3 318.377 1.234 20 5 DDBDHO COc1cc(N2CCC([NH2+]C[C@H](C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256101621 897286262 /nfs/dbraw/zinc/28/62/62/897286262.db2.gz NXUMZVSVAYNXBQ-GFCCVEGCSA-N 1 3 322.409 1.757 20 5 DDBDHO C[C@H](CCCC[NH3+])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591282047 355278027 /nfs/dbraw/zinc/27/80/27/355278027.db2.gz VFNSKCZBIWBKAE-LLVKDONJSA-N 1 3 309.366 1.973 20 5 DDBDHO C[NH+]1CCC2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000602876601 359259739 /nfs/dbraw/zinc/25/97/39/359259739.db2.gz GXDMLILXIQAHOA-UHFFFAOYSA-N 1 3 320.393 1.174 20 5 DDBDHO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297678706 409956293 /nfs/dbraw/zinc/95/62/93/409956293.db2.gz PAXRPJWSBMMLJE-UHFFFAOYSA-N 1 3 316.365 1.445 20 5 DDBDHO Cc1c(NC(=O)CCN2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848656 410285888 /nfs/dbraw/zinc/28/58/88/410285888.db2.gz DSQAZABOSAZWKU-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423285329 420004019 /nfs/dbraw/zinc/00/40/19/420004019.db2.gz ZIXDBLGRXWPJOR-VXGBXAGGSA-N 1 3 308.382 1.757 20 5 DDBDHO Cc1c(NC(=O)CCN[C@@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430579009 420145087 /nfs/dbraw/zinc/14/50/87/420145087.db2.gz PZFQLSYTTNJQDS-INIZCTEOSA-N 1 3 320.393 1.949 20 5 DDBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CNCCCO1)C1CC1 ZINC000423494111 275040127 /nfs/dbraw/zinc/04/01/27/275040127.db2.gz RPTADJVHIPDEGC-HOTGVXAUSA-N 1 3 319.405 1.884 20 5 DDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000818972942 704038891 /nfs/dbraw/zinc/03/88/91/704038891.db2.gz PHWLLUZTRRYJAF-MLGOLLRUSA-N 1 3 305.378 1.702 20 5 DDBDHO C[N@@H+]1CCC2CCC(C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000923281343 714296438 /nfs/dbraw/zinc/29/64/38/714296438.db2.gz PEZGXCBWOPZBDO-DZGCQCFKSA-N 1 3 303.362 1.832 20 5 DDBDHO C[N@H+]1CCC2CCC(C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000923281343 714296440 /nfs/dbraw/zinc/29/64/40/714296440.db2.gz PEZGXCBWOPZBDO-DZGCQCFKSA-N 1 3 303.362 1.832 20 5 DDBDHO N[C@@H](CCC[NH3+])NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001159786388 865522621 /nfs/dbraw/zinc/52/26/21/865522621.db2.gz ZFFXMSHEZDCVOA-MRVPVSSYSA-N 1 3 309.704 1.306 20 5 DDBDHO C[NH2+][C@@H](C)CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001348851489 874830740 /nfs/dbraw/zinc/83/07/40/874830740.db2.gz BCBQMBVVTRVOIX-RYUDHWBXSA-N 1 3 308.382 1.900 20 5 DDBDHO O=[N+]([O-])c1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000591284930 355278864 /nfs/dbraw/zinc/27/88/64/355278864.db2.gz ACRFJDBJZFVPMF-CVEARBPZSA-N 1 3 317.389 1.795 20 5 DDBDHO O=[N+]([O-])c1ccn(CCN2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000602848027 359235752 /nfs/dbraw/zinc/23/57/52/359235752.db2.gz YMFUGCNRFUKYGE-UHFFFAOYSA-N 1 3 316.365 1.399 20 5 DDBDHO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178863962 407631260 /nfs/dbraw/zinc/63/12/60/407631260.db2.gz DEWIOKVQXNOGIW-CJNGLKHVSA-N 1 3 307.394 1.902 20 5 DDBDHO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178863962 407631263 /nfs/dbraw/zinc/63/12/63/407631263.db2.gz DEWIOKVQXNOGIW-CJNGLKHVSA-N 1 3 307.394 1.902 20 5 DDBDHO Cc1c(NC(=O)CCN2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442767114 420712166 /nfs/dbraw/zinc/71/21/66/420712166.db2.gz MBTKIHXGUKKKBQ-YPMHNXCESA-N 1 3 320.393 1.901 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000516264574 307414201 /nfs/dbraw/zinc/41/42/01/307414201.db2.gz NAIWZPLUAWGHAG-CYBMUJFWSA-N 1 3 305.382 1.111 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000876939559 705931262 /nfs/dbraw/zinc/93/12/62/705931262.db2.gz HNYFZIZGPYOROO-ZIHBUVQPSA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000876939559 705931263 /nfs/dbraw/zinc/93/12/63/705931263.db2.gz HNYFZIZGPYOROO-ZIHBUVQPSA-N 1 3 305.382 1.711 20 5 DDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CCCC[NH3+])CC1 ZINC001254548679 896498548 /nfs/dbraw/zinc/49/85/48/896498548.db2.gz KFSNLRIQVGEUGO-OAHLLOKOSA-N 1 3 320.437 1.882 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351851640 410290074 /nfs/dbraw/zinc/29/00/74/410290074.db2.gz LRHNAMISFYWDLD-QWHCGFSZSA-N 1 3 320.393 1.901 20 5 DDBDHO [NH3+]CCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420365715 420239494 /nfs/dbraw/zinc/23/94/94/420239494.db2.gz FGAPCBDSNMIXDS-UHFFFAOYSA-N 1 3 318.381 1.332 20 5 DDBDHO CC(C)[NH+]1CCC(O)(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000344630293 272075230 /nfs/dbraw/zinc/07/52/30/272075230.db2.gz MFVCNBPHVBICGB-UHFFFAOYSA-N 1 3 307.394 1.920 20 5 DDBDHO CC[NH+](CC)CCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006753 762175074 /nfs/dbraw/zinc/17/50/74/762175074.db2.gz JIDPDCHPXWQSOA-HOTGVXAUSA-N 1 3 312.458 1.391 20 5 DDBDHO N[C@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001159779312 771923201 /nfs/dbraw/zinc/92/32/01/771923201.db2.gz FDBPZNUSNZPHOL-QMMMGPOBSA-N 1 3 309.704 1.306 20 5 DDBDHO C[NH+](C)CCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001165366624 869549488 /nfs/dbraw/zinc/54/94/88/869549488.db2.gz AWVPJZPSKHLVMB-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637218 407562703 /nfs/dbraw/zinc/56/27/03/407562703.db2.gz FZJQGERRMKWJKZ-HNNXBMFYSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637218 407562707 /nfs/dbraw/zinc/56/27/07/407562707.db2.gz FZJQGERRMKWJKZ-HNNXBMFYSA-N 1 3 306.366 1.594 20 5 DDBDHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637218 407562711 /nfs/dbraw/zinc/56/27/11/407562711.db2.gz FZJQGERRMKWJKZ-HNNXBMFYSA-N 1 3 306.366 1.594 20 5 DDBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000420303751 420194194 /nfs/dbraw/zinc/19/41/94/420194194.db2.gz DFXXIWHZRZYGKO-ZDUSSCGKSA-N 1 3 320.393 1.997 20 5 DDBDHO CCN(CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001163126318 868131595 /nfs/dbraw/zinc/13/15/95/868131595.db2.gz QUDWHJTVKNXGNN-UHFFFAOYSA-N 1 3 308.386 1.885 20 5 DDBDHO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC001335898630 868606211 /nfs/dbraw/zinc/60/62/11/868606211.db2.gz UIYGMHPBOGOMOL-HNNXBMFYSA-N 1 3 308.382 1.053 20 5 DDBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC23CC(C2)CN3)n1 ZINC000596655750 356944276 /nfs/dbraw/zinc/94/42/76/356944276.db2.gz YMPOMNMHHOOICJ-ICRTXTNUSA-N 1 3 305.382 1.617 20 5 DDBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423017187 227314174 /nfs/dbraw/zinc/31/41/74/227314174.db2.gz VSXPFDVQGSYZBD-GVDBMIGSSA-N 1 3 319.405 1.884 20 5 DDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000430961965 420224054 /nfs/dbraw/zinc/22/40/54/420224054.db2.gz GGDPANIGNHJWAH-LLVKDONJSA-N 1 3 322.365 1.213 20 5 DDBDHO C[C@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000895291655 711477720 /nfs/dbraw/zinc/47/77/20/711477720.db2.gz HTLXXOSFFGPSRA-CYBMUJFWSA-N 1 3 321.425 1.888 20 5 DDBDHO COc1ccc(OCC[NH2+][C@H]2C[C@@H](N)C2(C)C)c([N+](=O)[O-])c1 ZINC000603430958 359635048 /nfs/dbraw/zinc/63/50/48/359635048.db2.gz DDEHABNBOZKNCT-KGLIPLIRSA-N 1 3 309.366 1.698 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414827412 419828263 /nfs/dbraw/zinc/82/82/63/419828263.db2.gz KQDBZMLPZRSOSR-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414827412 419828271 /nfs/dbraw/zinc/82/82/71/419828271.db2.gz KQDBZMLPZRSOSR-CHWSQXEVSA-N 1 3 320.393 1.901 20 5 DDBDHO [NH3+]C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420328732 420213615 /nfs/dbraw/zinc/21/36/15/420213615.db2.gz MXDIODHGKQLLPH-OAHLLOKOSA-N 1 3 319.405 1.825 20 5 DDBDHO C[NH2+]CC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430939440 420215320 /nfs/dbraw/zinc/21/53/20/420215320.db2.gz GIDFNAHXWBVBCD-UHFFFAOYSA-N 1 3 323.393 1.914 20 5 DDBDHO Cc1cc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc[nH+]1 ZINC001169057992 762212157 /nfs/dbraw/zinc/21/21/57/762212157.db2.gz ZYKJGWPPLHZHNB-GJZGRUSLSA-N 1 3 304.394 1.957 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@]1(C[NH3+])CN2CCC1CC2 ZINC001254548206 896498880 /nfs/dbraw/zinc/49/88/80/896498880.db2.gz LFQGIEMRFGUBKI-SUMWQHHRSA-N 1 3 318.421 1.539 20 5 DDBDHO COc1cc(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085658 897277997 /nfs/dbraw/zinc/27/79/97/897277997.db2.gz RHXHWJIARJJADB-GFCCVEGCSA-N 1 3 320.393 1.605 20 5 DDBDHO COc1cc(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085658 897278013 /nfs/dbraw/zinc/27/80/13/897278013.db2.gz RHXHWJIARJJADB-GFCCVEGCSA-N 1 3 320.393 1.605 20 5 DDBDHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000174728384 198376367 /nfs/dbraw/zinc/37/63/67/198376367.db2.gz QYACRKKTFVCQGE-UHFFFAOYSA-N 1 3 306.410 1.664 20 5 DDBDHO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609802290 360352560 /nfs/dbraw/zinc/35/25/60/360352560.db2.gz OOVLWEGXVVHWIF-HNNXBMFYSA-N 1 3 319.409 1.595 20 5 DDBDHO NC(=O)c1ccc(CN2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261954479 407689746 /nfs/dbraw/zinc/68/97/46/407689746.db2.gz NRVTZCZGEQFDHV-NSHDSACASA-N 1 3 306.366 1.255 20 5 DDBDHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414849764 419839554 /nfs/dbraw/zinc/83/95/54/419839554.db2.gz YNMSCLPCKPWSIP-VXGBXAGGSA-N 1 3 308.382 1.757 20 5 DDBDHO COc1ccc(OCC[NH2+][C@H]2CCNCC2(C)C)c([N+](=O)[O-])c1 ZINC000420359693 420233868 /nfs/dbraw/zinc/23/38/68/420233868.db2.gz KCIBSYUEHQMUFX-HNNXBMFYSA-N 1 3 323.393 1.960 20 5 DDBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000562834780 421421376 /nfs/dbraw/zinc/42/13/76/421421376.db2.gz UZFIGTHDJAZCNX-CQSZACIVSA-N 1 3 319.409 1.502 20 5 DDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000531119375 421623977 /nfs/dbraw/zinc/62/39/77/421623977.db2.gz KIMIKRKIFSNXMH-UHFFFAOYSA-N 1 3 322.409 1.089 20 5 DDBDHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573985 420144169 /nfs/dbraw/zinc/14/41/69/420144169.db2.gz RRAIQXGFJNZFBM-OLZOCXBDSA-N 1 3 320.393 1.983 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000423192479 533685383 /nfs/dbraw/zinc/68/53/83/533685383.db2.gz VOBQXWFVPWOWCZ-LLVKDONJSA-N 1 3 306.366 1.654 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCNCC1 ZINC000423192479 533685389 /nfs/dbraw/zinc/68/53/89/533685389.db2.gz VOBQXWFVPWOWCZ-LLVKDONJSA-N 1 3 306.366 1.654 20 5 DDBDHO C[C@](C[NH3+])(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000843355745 702865441 /nfs/dbraw/zinc/86/54/41/702865441.db2.gz ISWHJNGVZYWGFX-OAHLLOKOSA-N 1 3 324.356 1.780 20 5 DDBDHO C[C@H](CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001262565792 900248189 /nfs/dbraw/zinc/24/81/89/900248189.db2.gz WHSWYUHTGUQKKH-GFCCVEGCSA-N 1 3 308.382 1.853 20 5 DDBDHO C[C@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C ZINC001262565792 900248201 /nfs/dbraw/zinc/24/82/01/900248201.db2.gz WHSWYUHTGUQKKH-GFCCVEGCSA-N 1 3 308.382 1.853 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414948170 419888404 /nfs/dbraw/zinc/88/84/04/419888404.db2.gz XWMKGLSEEIGUCZ-JMSVASOKSA-N 1 3 320.393 1.900 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414948170 419888410 /nfs/dbraw/zinc/88/84/10/419888410.db2.gz XWMKGLSEEIGUCZ-JMSVASOKSA-N 1 3 320.393 1.900 20 5 DDBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420274573 420177190 /nfs/dbraw/zinc/17/71/90/420177190.db2.gz OXPGLWPJCFRKFH-UHFFFAOYSA-N 1 3 306.366 1.607 20 5 DDBDHO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000420274573 420177193 /nfs/dbraw/zinc/17/71/93/420177193.db2.gz OXPGLWPJCFRKFH-UHFFFAOYSA-N 1 3 306.366 1.607 20 5 DDBDHO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000420274573 420177196 /nfs/dbraw/zinc/17/71/96/420177196.db2.gz OXPGLWPJCFRKFH-UHFFFAOYSA-N 1 3 306.366 1.607 20 5 DDBDHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795756 420717642 /nfs/dbraw/zinc/71/76/42/420717642.db2.gz VJWZDSJLGQXCTP-RYUDHWBXSA-N 1 3 306.366 1.593 20 5 DDBDHO Cc1cc(NC[C@H]2C[NH2+]CCN2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000394727315 307295658 /nfs/dbraw/zinc/29/56/58/307295658.db2.gz IYJXJHBUQQLDTG-CYBMUJFWSA-N 1 3 315.377 1.189 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000876939557 705931202 /nfs/dbraw/zinc/93/12/02/705931202.db2.gz HNYFZIZGPYOROO-NELGMTEASA-N 1 3 305.382 1.711 20 5 DDBDHO O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000876939557 705931206 /nfs/dbraw/zinc/93/12/06/705931206.db2.gz HNYFZIZGPYOROO-NELGMTEASA-N 1 3 305.382 1.711 20 5 DDBDHO Cc1cc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc[nH+]1 ZINC001169057994 762211798 /nfs/dbraw/zinc/21/17/98/762211798.db2.gz ZYKJGWPPLHZHNB-LSDHHAIUSA-N 1 3 304.394 1.957 20 5 DDBDHO [NH3+]CCN1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901221 776916009 /nfs/dbraw/zinc/91/60/09/776916009.db2.gz LHPOSSOIUUGNCY-MRXNPFEDSA-N 1 3 318.421 1.419 20 5 DDBDHO NC[C@@]1(O)CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564300 892700764 /nfs/dbraw/zinc/70/07/64/892700764.db2.gz XHKYEOACEBKMRH-CVEARBPZSA-N 1 3 305.378 1.238 20 5 DDBDHO NC[C@@]1(O)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564300 892700770 /nfs/dbraw/zinc/70/07/70/892700770.db2.gz XHKYEOACEBKMRH-CVEARBPZSA-N 1 3 305.378 1.238 20 5 DDBDHO CN1CC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593924 896520661 /nfs/dbraw/zinc/52/06/61/896520661.db2.gz BVAXPPUIXVAPFT-UKPHBRMFSA-N 1 3 301.390 1.946 20 5 DDBDHO CN1CC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593924 896520675 /nfs/dbraw/zinc/52/06/75/896520675.db2.gz BVAXPPUIXVAPFT-UKPHBRMFSA-N 1 3 301.390 1.946 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000414827414 419829645 /nfs/dbraw/zinc/82/96/45/419829645.db2.gz KQDBZMLPZRSOSR-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCNC1 ZINC000414827414 419829651 /nfs/dbraw/zinc/82/96/51/419829651.db2.gz KQDBZMLPZRSOSR-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567345836 308078719 /nfs/dbraw/zinc/07/87/19/308078719.db2.gz VTVMCALZTVGXPL-VNHYZAJKSA-N 1 3 323.393 1.407 20 5 DDBDHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345836 308078721 /nfs/dbraw/zinc/07/87/21/308078721.db2.gz VTVMCALZTVGXPL-VNHYZAJKSA-N 1 3 323.393 1.407 20 5 DDBDHO N=C(NCCCC[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001167879537 739169822 /nfs/dbraw/zinc/16/98/22/739169822.db2.gz KVTCYBIXHMLVAZ-UHFFFAOYSA-N 1 3 302.338 1.818 20 5 DDBDHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176972057 778358636 /nfs/dbraw/zinc/35/86/36/778358636.db2.gz MJRTWKJFMMMCPH-UHFFFAOYSA-N 1 3 322.409 1.531 20 5 DDBDHO Nc1ccc2n(C(=O)[C@@H](N)CCC[NH3+])c3ccccc3cc-2c1=O ZINC001219253566 878061657 /nfs/dbraw/zinc/06/16/57/878061657.db2.gz AJVHUPDIOUSBRZ-AWEZNQCLSA-N 1 3 324.384 1.395 20 5 DDBDHO Cc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347088599 283173386 /nfs/dbraw/zinc/17/33/86/283173386.db2.gz DBWDUYLYFRYCDN-CQSZACIVSA-N 1 3 320.393 1.190 20 5 DDBDHO C[C@H](CN(C)C)Nc1nc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000343799418 410708909 /nfs/dbraw/zinc/70/89/09/410708909.db2.gz XEOWVXGKGISIRC-VXGBXAGGSA-N 1 3 324.429 1.714 20 5 DDBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420335240 279677816 /nfs/dbraw/zinc/67/78/16/279677816.db2.gz PMCYHNLWPONVCE-SJORKVTESA-N 1 3 319.405 1.966 20 5 DDBDHO C[NH2+][C@@H](C)CCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001348851488 874829547 /nfs/dbraw/zinc/82/95/47/874829547.db2.gz BCBQMBVVTRVOIX-NWDGAFQWSA-N 1 3 308.382 1.900 20 5 DDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000351495709 284344191 /nfs/dbraw/zinc/34/41/91/284344191.db2.gz PYRQOGOCZUZIBL-KCPJHIHWSA-N 1 3 318.377 1.593 20 5 DDBDHO Cc1c(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000262413566 407828432 /nfs/dbraw/zinc/82/84/32/407828432.db2.gz DHNXBKRFLPOGSN-OAHLLOKOSA-N 1 3 304.394 1.383 20 5 DDBDHO C[C@@H](CC[NH3+])NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414892983 419863916 /nfs/dbraw/zinc/86/39/16/419863916.db2.gz JXLGPZTVYXMMJJ-NSHDSACASA-N 1 3 303.366 1.822 20 5 DDBDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572147935 421766979 /nfs/dbraw/zinc/76/69/79/421766979.db2.gz FSNSWIUKHCBTBM-GLQYFDAESA-N 1 3 309.366 1.316 20 5 DDBDHO C[C@@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000562743412 303891669 /nfs/dbraw/zinc/89/16/69/303891669.db2.gz VEZPKAWQRLHNDA-KGLIPLIRSA-N 1 3 319.409 1.500 20 5 DDBDHO COc1cc([C@H](C)NCC2(O)CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903100870 711032122 /nfs/dbraw/zinc/03/21/22/711032122.db2.gz WDCZBXWUKMHOCT-LBPRGKRZSA-N 1 3 323.393 1.711 20 5 DDBDHO [NH3+]C1(Cc2cccnc2)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000856 762171561 /nfs/dbraw/zinc/17/15/61/762171561.db2.gz YVUUNTXZEQHQLX-HOCLYGCPSA-N 1 3 318.421 1.863 20 5 DDBDHO [NH3+]Cc1ccc2cn(-c3cc4c(cc3[N+](=O)[O-])CNC4)nc2c1 ZINC001171325229 773420092 /nfs/dbraw/zinc/42/00/92/773420092.db2.gz ZTGJCXZEBGYMMT-UHFFFAOYSA-N 1 3 309.329 1.996 20 5 DDBDHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289330 877234046 /nfs/dbraw/zinc/23/40/46/877234046.db2.gz XTBBAZJKTSVQNZ-HIFRSBDPSA-N 1 3 323.393 1.266 20 5 DDBDHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289330 877234053 /nfs/dbraw/zinc/23/40/53/877234053.db2.gz XTBBAZJKTSVQNZ-HIFRSBDPSA-N 1 3 323.393 1.266 20 5 DDBDHO C[C@]1(N)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528684 892679141 /nfs/dbraw/zinc/67/91/41/892679141.db2.gz BJEARNJHESLAMQ-INIZCTEOSA-N 1 3 304.394 1.987 20 5 DDBDHO C[C@]1(N)CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528684 892679146 /nfs/dbraw/zinc/67/91/46/892679146.db2.gz BJEARNJHESLAMQ-INIZCTEOSA-N 1 3 304.394 1.987 20 5 DDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351481244 284333294 /nfs/dbraw/zinc/33/32/94/284333294.db2.gz WSMVCSIUUKATAH-RWMBFGLXSA-N 1 3 318.377 1.593 20 5 DDBDHO COc1ccc(CNCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000265909289 407506805 /nfs/dbraw/zinc/50/68/05/407506805.db2.gz XEFZSTUWSBQNRJ-UHFFFAOYSA-N 1 3 309.366 1.150 20 5 DDBDHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423285324 420002824 /nfs/dbraw/zinc/00/28/24/420002824.db2.gz ZIXDBLGRXWPJOR-NEPJUHHUSA-N 1 3 308.382 1.757 20 5 DDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCN(C)CC1 ZINC000449160382 420963558 /nfs/dbraw/zinc/96/35/58/420963558.db2.gz AZINCVDDUNSRRY-ZDUSSCGKSA-N 1 3 307.394 1.572 20 5 DDBDHO C[C@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000519643614 421712916 /nfs/dbraw/zinc/71/29/16/421712916.db2.gz WSUGYLISVYPOJL-QWHCGFSZSA-N 1 3 320.393 1.996 20 5 DDBDHO C[C@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643614 421712919 /nfs/dbraw/zinc/71/29/19/421712919.db2.gz WSUGYLISVYPOJL-QWHCGFSZSA-N 1 3 320.393 1.996 20 5 DDBDHO C[C@@H](CC[NH+](C)C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572714622 308222834 /nfs/dbraw/zinc/22/28/34/308222834.db2.gz RQYSJKBVGMQUML-LBPRGKRZSA-N 1 3 308.382 1.853 20 5 DDBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC001169040275 762194886 /nfs/dbraw/zinc/19/48/86/762194886.db2.gz ZGXHYYIGODPRGL-JKSUJKDBSA-N 1 3 310.442 1.145 20 5 DDBDHO CC[N@H+](C)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146718861 772925889 /nfs/dbraw/zinc/92/58/89/772925889.db2.gz IPUTWGRIIHXOME-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146718861 772925892 /nfs/dbraw/zinc/92/58/92/772925892.db2.gz IPUTWGRIIHXOME-UHFFFAOYSA-N 1 3 308.382 1.142 20 5 DDBDHO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)CN1CCCC1 ZINC001335933167 868628321 /nfs/dbraw/zinc/62/83/21/868628321.db2.gz FADLMVBZRVPROH-ZDUSSCGKSA-N 1 3 308.382 1.053 20 5 DDBDHO CCc1nn(C)c(NCC[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596423840 356874394 /nfs/dbraw/zinc/87/43/94/356874394.db2.gz DBSVTQWIOLSZTP-UHFFFAOYSA-N 1 3 312.418 1.186 20 5 DDBDHO CCc1nn(C)c(NCC[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596423840 356874398 /nfs/dbraw/zinc/87/43/98/356874398.db2.gz DBSVTQWIOLSZTP-UHFFFAOYSA-N 1 3 312.418 1.186 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000423212737 419987502 /nfs/dbraw/zinc/98/75/02/419987502.db2.gz MFKZVYODOCUMOG-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCNC1 ZINC000423212737 419987506 /nfs/dbraw/zinc/98/75/06/419987506.db2.gz MFKZVYODOCUMOG-OLZOCXBDSA-N 1 3 320.393 1.901 20 5 DDBDHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795752 420716774 /nfs/dbraw/zinc/71/67/74/420716774.db2.gz VJWZDSJLGQXCTP-NEPJUHHUSA-N 1 3 306.366 1.593 20 5 DDBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000843061706 702810795 /nfs/dbraw/zinc/81/07/95/702810795.db2.gz HKAGICAJLDDELP-HOTGVXAUSA-N 1 3 323.393 1.065 20 5 DDBDHO CCC[N@H+](C)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001148571144 773528490 /nfs/dbraw/zinc/52/84/90/773528490.db2.gz XSSRHWFXQZWBAE-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO CCC[N@@H+](C)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001148571144 773528494 /nfs/dbraw/zinc/52/84/94/773528494.db2.gz XSSRHWFXQZWBAE-UHFFFAOYSA-N 1 3 322.409 1.533 20 5 DDBDHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594510611 356240735 /nfs/dbraw/zinc/24/07/35/356240735.db2.gz ADYQBTRIGIVUIB-BJHJDKERSA-N 1 3 321.377 1.796 20 5 DDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597941862 357391871 /nfs/dbraw/zinc/39/18/71/357391871.db2.gz FGPMBZLMXWOLEN-NSHDSACASA-N 1 3 312.370 1.190 20 5 DDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597941862 357391872 /nfs/dbraw/zinc/39/18/72/357391872.db2.gz FGPMBZLMXWOLEN-NSHDSACASA-N 1 3 312.370 1.190 20 5 DDBDHO CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489468 355598447 /nfs/dbraw/zinc/59/84/47/355598447.db2.gz VZXGULYJPXEOMU-DOMZBBRYSA-N 1 3 320.393 1.983 20 5 DDBDHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928513 420211285 /nfs/dbraw/zinc/21/12/85/420211285.db2.gz UJSXJESTBMWHQQ-CHWSQXEVSA-N 1 3 320.393 1.983 20 5 DDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000430940247 420214507 /nfs/dbraw/zinc/21/45/07/420214507.db2.gz JNZOJRKCQLHSRI-GFCCVEGCSA-N 1 3 306.366 1.512 20 5 DDBDHO C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420409781 420268255 /nfs/dbraw/zinc/26/82/55/420268255.db2.gz QWAJDVOFQSFSSQ-STQMWFEESA-N 1 3 320.393 1.840 20 5 DDBDHO CC(COC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950232 859022815 /nfs/dbraw/zinc/02/28/15/859022815.db2.gz HEIYMZPVBRZGSY-YSKGHYERSA-N 1 3 322.361 1.849 20 5 DDBDHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608192 896530521 /nfs/dbraw/zinc/53/05/21/896530521.db2.gz PGQNOMMONJWUSZ-HYVNUMGLSA-N 1 3 301.390 1.946 20 5 DDBDHO O=[N+]([O-])c1cc2c(cc1CNCCC[C@H]1CCC[NH2+]1)OCCO2 ZINC000591280750 355276953 /nfs/dbraw/zinc/27/69/53/355276953.db2.gz KMCVLESDTYDNIB-ZDUSSCGKSA-N 1 3 321.377 1.988 20 5 DDBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736107 355980753 /nfs/dbraw/zinc/98/07/53/355980753.db2.gz GIUBMONYPBBBLC-UMVBOHGHSA-N 1 3 323.397 1.010 20 5 DDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CNCCCO2)n1 ZINC000423493213 285168542 /nfs/dbraw/zinc/16/85/42/285168542.db2.gz PPHYMRREQARMEF-MELADBBJSA-N 1 3 323.397 1.243 20 5 DDBDHO O=[N+]([O-])c1ccc(CNCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000414782442 224394583 /nfs/dbraw/zinc/39/45/83/224394583.db2.gz OWHWBQWBBKSIDK-UHFFFAOYSA-N 1 3 312.801 1.633 20 5 DDBDHO C[NH+](C)CCCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000123223570 407323220 /nfs/dbraw/zinc/32/32/20/407323220.db2.gz NEUYNXHMVNIPNW-UHFFFAOYSA-N 1 3 309.414 1.845 20 5 DDBDHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423285327 420002854 /nfs/dbraw/zinc/00/28/54/420002854.db2.gz ZIXDBLGRXWPJOR-RYUDHWBXSA-N 1 3 308.382 1.757 20 5 DDBDHO C[NH+](C)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579806 698120491 /nfs/dbraw/zinc/12/04/91/698120491.db2.gz QVJFYMHMYKTYOF-INIZCTEOSA-N 1 3 307.394 1.902 20 5 DDBDHO C[C@H](CNC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641481 712104250 /nfs/dbraw/zinc/10/42/50/712104250.db2.gz CABSFQQWJAYODW-OCCSQVGLSA-N 1 3 307.394 1.743 20 5 DDBDHO C[C@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641481 712104253 /nfs/dbraw/zinc/10/42/53/712104253.db2.gz CABSFQQWJAYODW-OCCSQVGLSA-N 1 3 307.394 1.743 20 5 DDBDHO