smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343930 555295627 /nfs/dbraw/zinc/29/56/27/555295627.db2.gz PULYLNSJLUHMLQ-ATZDWAIDSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343930 555295629 /nfs/dbraw/zinc/29/56/29/555295629.db2.gz PULYLNSJLUHMLQ-ATZDWAIDSA-N 1 3 363.458 2.453 20 5 FEBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395986 559627771 /nfs/dbraw/zinc/62/77/71/559627771.db2.gz SVMBRHPIGKZTDO-JKSUJKDBSA-N 1 3 372.391 2.398 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435619420 559926489 /nfs/dbraw/zinc/92/64/89/559926489.db2.gz YDNAOYKSBCFLQG-CYBMUJFWSA-N 1 3 350.419 2.006 20 5 FEBDHO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623331 559926641 /nfs/dbraw/zinc/92/66/41/559926641.db2.gz CEQMNQPKRVTMHN-AWEZNQCLSA-N 1 3 364.446 2.396 20 5 FEBDHO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCNCC1 ZINC000435623331 559926642 /nfs/dbraw/zinc/92/66/42/559926642.db2.gz CEQMNQPKRVTMHN-AWEZNQCLSA-N 1 3 364.446 2.396 20 5 FEBDHO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCNCC1 ZINC000435623331 559926643 /nfs/dbraw/zinc/92/66/43/559926643.db2.gz CEQMNQPKRVTMHN-AWEZNQCLSA-N 1 3 364.446 2.396 20 5 FEBDHO CC(C)OCC[NH+]1CCC(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819128592 675263192 /nfs/dbraw/zinc/26/31/92/675263192.db2.gz OHMXAUPQRXQZAS-SFHVURJKSA-N 1 3 351.447 2.107 20 5 FEBDHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866230880 684084815 /nfs/dbraw/zinc/08/48/15/684084815.db2.gz HDPLQSGNRXSARM-OAHLLOKOSA-N 1 3 352.454 2.282 20 5 FEBDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903067326 690840649 /nfs/dbraw/zinc/84/06/49/690840649.db2.gz RICMJANXRCHJLN-HNNXBMFYSA-N 1 3 350.463 2.282 20 5 FEBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047970196 540337511 /nfs/dbraw/zinc/33/75/11/540337511.db2.gz ATTAMGWLFDJUIL-GOSISDBHSA-N 1 3 363.458 2.142 20 5 FEBDHO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000128702672 544068005 /nfs/dbraw/zinc/06/80/05/544068005.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 1 3 352.410 2.336 20 5 FEBDHO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000128702672 544068007 /nfs/dbraw/zinc/06/80/07/544068007.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 1 3 352.410 2.336 20 5 FEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261947250 549773029 /nfs/dbraw/zinc/77/30/29/549773029.db2.gz YLSBWYKFDUQCFU-VYDXJSESSA-N 1 3 360.458 2.236 20 5 FEBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814533 550556907 /nfs/dbraw/zinc/55/69/07/550556907.db2.gz IPFGBPNXOPWOHO-LPHOPBHVSA-N 1 3 370.453 2.257 20 5 FEBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814533 550556909 /nfs/dbraw/zinc/55/69/09/550556909.db2.gz IPFGBPNXOPWOHO-LPHOPBHVSA-N 1 3 370.453 2.257 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422637927 559599319 /nfs/dbraw/zinc/59/93/19/559599319.db2.gz PQXQOARPILXRTG-MJBXVCDLSA-N 1 3 364.446 2.237 20 5 FEBDHO CC[NH2+]CC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430601522 559824422 /nfs/dbraw/zinc/82/44/22/559824422.db2.gz ZUUPDTSZHKHNIO-UHFFFAOYSA-N 1 3 362.430 2.214 20 5 FEBDHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000471864295 561013283 /nfs/dbraw/zinc/01/32/83/561013283.db2.gz IBVUKSDDTYZXKX-MSOLQXFVSA-N 1 3 357.458 2.463 20 5 FEBDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849077059 681649842 /nfs/dbraw/zinc/64/98/42/681649842.db2.gz JGGOBWIZWYCDHM-CQSZACIVSA-N 1 3 353.854 2.389 20 5 FEBDHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271622860 550390701 /nfs/dbraw/zinc/39/07/01/550390701.db2.gz FKLKHTZMQXVULS-UHFFFAOYSA-N 1 3 350.463 2.061 20 5 FEBDHO CC(C)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414984500 559198855 /nfs/dbraw/zinc/19/88/55/559198855.db2.gz GPDKDHXCDCXDPS-XLIONFOSSA-N 1 3 374.485 2.455 20 5 FEBDHO COc1ccc(NC(=O)CCN2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000420321010 559480213 /nfs/dbraw/zinc/48/02/13/559480213.db2.gz VAXWQVSIUPINQX-ZDUSSCGKSA-N 1 3 350.419 2.135 20 5 FEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000449341899 560226040 /nfs/dbraw/zinc/22/60/40/560226040.db2.gz XHKRZCWZQHKCFI-INIZCTEOSA-N 1 3 362.474 2.108 20 5 FEBDHO CSc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942236 673521818 /nfs/dbraw/zinc/52/18/18/673521818.db2.gz HXYPKWQPNNJGIN-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO CSc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942236 673521820 /nfs/dbraw/zinc/52/18/20/673521820.db2.gz HXYPKWQPNNJGIN-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857303924 682874777 /nfs/dbraw/zinc/87/47/77/682874777.db2.gz AYYNDXNFRFVZFO-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857303924 682874780 /nfs/dbraw/zinc/87/47/80/682874780.db2.gz AYYNDXNFRFVZFO-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000051236051 540427978 /nfs/dbraw/zinc/42/79/78/540427978.db2.gz YGNBWQGXWPCBFH-UHFFFAOYSA-N 1 3 361.446 2.275 20 5 FEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261947244 549772707 /nfs/dbraw/zinc/77/27/07/549772707.db2.gz YLSBWYKFDUQCFU-BFYDXBDKSA-N 1 3 360.458 2.236 20 5 FEBDHO COc1cc(CN[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048204 559202205 /nfs/dbraw/zinc/20/22/05/559202205.db2.gz WQOCHTOEBUCDPD-CMPLNLGQSA-N 1 3 359.373 2.464 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000420317444 559480029 /nfs/dbraw/zinc/48/00/29/559480029.db2.gz OOPQQIVPKDGEJP-ZDUSSCGKSA-N 1 3 350.419 2.135 20 5 FEBDHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340070 559481891 /nfs/dbraw/zinc/48/18/91/559481891.db2.gz ZTVYTDKBQBPYDX-RLFYNMQTSA-N 1 3 358.442 2.022 20 5 FEBDHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340066 559481969 /nfs/dbraw/zinc/48/19/69/559481969.db2.gz ZTVYTDKBQBPYDX-IIDMSEBBSA-N 1 3 358.442 2.022 20 5 FEBDHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986890 674831044 /nfs/dbraw/zinc/83/10/44/674831044.db2.gz CQWSNQRIJDFDSQ-HNNXBMFYSA-N 1 3 351.447 2.187 20 5 FEBDHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596819526 673416781 /nfs/dbraw/zinc/41/67/81/673416781.db2.gz ASRPWLMOYXNIBQ-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596819526 673416784 /nfs/dbraw/zinc/41/67/84/673416784.db2.gz ASRPWLMOYXNIBQ-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO COc1ccc(-c2ccc(CNCCCN3CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000414782523 559187137 /nfs/dbraw/zinc/18/71/37/559187137.db2.gz PDUYBRRAUFRFCO-UHFFFAOYSA-N 1 3 374.441 2.248 20 5 FEBDHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403128 559628028 /nfs/dbraw/zinc/62/80/28/559628028.db2.gz YUTORMSCKJDLCR-GJZGRUSLSA-N 1 3 360.380 2.472 20 5 FEBDHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986891 674831319 /nfs/dbraw/zinc/83/13/19/674831319.db2.gz CQWSNQRIJDFDSQ-OAHLLOKOSA-N 1 3 351.447 2.187 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343933 555295469 /nfs/dbraw/zinc/29/54/69/555295469.db2.gz PULYLNSJLUHMLQ-MNEFBYGVSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343933 555295470 /nfs/dbraw/zinc/29/54/70/555295470.db2.gz PULYLNSJLUHMLQ-MNEFBYGVSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414195742 559152559 /nfs/dbraw/zinc/15/25/59/559152559.db2.gz OISOEBRETSCZFN-INIZCTEOSA-N 1 3 362.474 2.042 20 5 FEBDHO CN(c1ccccc1)c1ccc(CNCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414867898 559191803 /nfs/dbraw/zinc/19/18/03/559191803.db2.gz PBHBGWDUUZLYNM-UHFFFAOYSA-N 1 3 369.469 2.358 20 5 FEBDHO Cc1c(NC(=O)CCN2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430596348 559824226 /nfs/dbraw/zinc/82/42/26/559824226.db2.gz WGOPLRXBHGAOBM-UHFFFAOYSA-N 1 3 364.446 2.062 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597942960 673521842 /nfs/dbraw/zinc/52/18/42/673521842.db2.gz RCVWOEUDPYYNIE-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597942960 673521845 /nfs/dbraw/zinc/52/18/45/673521845.db2.gz RCVWOEUDPYYNIE-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000050796827 540414538 /nfs/dbraw/zinc/41/45/38/540414538.db2.gz INNVEDAVFRYPGF-UHFFFAOYSA-N 1 3 360.458 2.192 20 5 FEBDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000092820916 542887808 /nfs/dbraw/zinc/88/78/08/542887808.db2.gz CHWZMFLNPJPCSR-UHFFFAOYSA-N 1 3 358.446 2.425 20 5 FEBDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000092820916 542887810 /nfs/dbraw/zinc/88/78/10/542887810.db2.gz CHWZMFLNPJPCSR-UHFFFAOYSA-N 1 3 358.446 2.425 20 5 FEBDHO CN1CCC[N@H+](CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000105476115 543174115 /nfs/dbraw/zinc/17/41/15/543174115.db2.gz WFKUPHQIOHHUSN-UHFFFAOYSA-N 1 3 372.416 2.313 20 5 FEBDHO CN1CCC[N@@H+](CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000105476115 543174118 /nfs/dbraw/zinc/17/41/18/543174118.db2.gz WFKUPHQIOHHUSN-UHFFFAOYSA-N 1 3 372.416 2.313 20 5 FEBDHO C[N@@H+]1CCCN(CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000105476115 543174120 /nfs/dbraw/zinc/17/41/20/543174120.db2.gz WFKUPHQIOHHUSN-UHFFFAOYSA-N 1 3 372.416 2.313 20 5 FEBDHO C[N@H+]1CCCN(CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000105476115 543174124 /nfs/dbraw/zinc/17/41/24/543174124.db2.gz WFKUPHQIOHHUSN-UHFFFAOYSA-N 1 3 372.416 2.313 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378422049 558553099 /nfs/dbraw/zinc/55/30/99/558553099.db2.gz AKKYXVWCWKEUGX-GOSISDBHSA-N 1 3 362.474 2.204 20 5 FEBDHO COc1cc(CN[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048207 559202287 /nfs/dbraw/zinc/20/22/87/559202287.db2.gz WQOCHTOEBUCDPD-PWSUYJOCSA-N 1 3 359.373 2.464 20 5 FEBDHO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000898585417 690213916 /nfs/dbraw/zinc/21/39/16/690213916.db2.gz WPCLFEAXBNMEAG-AWEZNQCLSA-N 1 3 350.463 2.213 20 5 FEBDHO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000898585417 690213922 /nfs/dbraw/zinc/21/39/22/690213922.db2.gz WPCLFEAXBNMEAG-AWEZNQCLSA-N 1 3 350.463 2.213 20 5 FEBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105476479 543174489 /nfs/dbraw/zinc/17/44/89/543174489.db2.gz KHGUWAGLVYWMSC-UHFFFAOYSA-N 1 3 350.463 2.111 20 5 FEBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105476479 543174490 /nfs/dbraw/zinc/17/44/90/543174490.db2.gz KHGUWAGLVYWMSC-UHFFFAOYSA-N 1 3 350.463 2.111 20 5 FEBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCCN1CCC[N@H+](C)CC1 ZINC000105476479 543174491 /nfs/dbraw/zinc/17/44/91/543174491.db2.gz KHGUWAGLVYWMSC-UHFFFAOYSA-N 1 3 350.463 2.111 20 5 FEBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCCN1CCC[N@@H+](C)CC1 ZINC000105476479 543174493 /nfs/dbraw/zinc/17/44/93/543174493.db2.gz KHGUWAGLVYWMSC-UHFFFAOYSA-N 1 3 350.463 2.111 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841622 326107627 /nfs/dbraw/zinc/10/76/27/326107627.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 1 3 364.446 2.206 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841622 326107629 /nfs/dbraw/zinc/10/76/29/326107629.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 1 3 364.446 2.206 20 5 FEBDHO CN1CCC(Nc2nc(NC3CC[NH+](C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000301711596 553673543 /nfs/dbraw/zinc/67/35/43/553673543.db2.gz DYUWQTYWECQYAR-UHFFFAOYSA-N 1 3 354.480 2.064 20 5 FEBDHO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374260480 557854065 /nfs/dbraw/zinc/85/40/65/557854065.db2.gz WBIGUEVPSLXRBF-MRXNPFEDSA-N 1 3 362.474 2.074 20 5 FEBDHO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CCN(C)CC1 ZINC000374260480 557854066 /nfs/dbraw/zinc/85/40/66/557854066.db2.gz WBIGUEVPSLXRBF-MRXNPFEDSA-N 1 3 362.474 2.074 20 5 FEBDHO CC1(C)C[C@@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122365 559872375 /nfs/dbraw/zinc/87/23/75/559872375.db2.gz VPNHRPYMYGTYCU-KBXCAEBGSA-N 1 3 374.485 2.494 20 5 FEBDHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000570477604 568478746 /nfs/dbraw/zinc/47/87/46/568478746.db2.gz XUJOVYASUPHACA-GOSISDBHSA-N 1 3 359.426 2.186 20 5 FEBDHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000123383838 543758779 /nfs/dbraw/zinc/75/87/79/543758779.db2.gz YSCMRNATPKOAOX-GOSISDBHSA-N 1 3 365.474 2.388 20 5 FEBDHO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125336848 543876148 /nfs/dbraw/zinc/87/61/48/543876148.db2.gz BFQRWUKYRLYIND-UHFFFAOYSA-N 1 3 360.458 2.192 20 5 FEBDHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554217 /nfs/dbraw/zinc/55/42/17/550554217.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 1 3 372.473 2.468 20 5 FEBDHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554218 /nfs/dbraw/zinc/55/42/18/550554218.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 1 3 372.473 2.468 20 5 FEBDHO CC[NH+]1CCC(N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355556 558162397 /nfs/dbraw/zinc/16/23/97/558162397.db2.gz TWQZHBSOUMNONV-QGZVFWFLSA-N 1 3 363.458 2.283 20 5 FEBDHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470012598 560972120 /nfs/dbraw/zinc/97/21/20/560972120.db2.gz RDBQHJAXUGOVLE-HNNXBMFYSA-N 1 3 372.425 2.142 20 5 FEBDHO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969441 559197953 /nfs/dbraw/zinc/19/79/53/559197953.db2.gz GSASALLKCHVUEI-UJAVWCLSSA-N 1 3 358.364 2.034 20 5 FEBDHO CCOC(=O)C1([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000422722044 559604275 /nfs/dbraw/zinc/60/42/75/559604275.db2.gz WUGGKYZGADHLAS-ZDUSSCGKSA-N 1 3 365.430 2.014 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[N@@H+]1CCCN(C)CC1 ZINC000595013885 673186243 /nfs/dbraw/zinc/18/62/43/673186243.db2.gz UULYKDCNRVJJOE-HNNXBMFYSA-N 1 3 350.463 2.282 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[N@H+]1CCCN(C)CC1 ZINC000595013885 673186249 /nfs/dbraw/zinc/18/62/49/673186249.db2.gz UULYKDCNRVJJOE-HNNXBMFYSA-N 1 3 350.463 2.282 20 5 FEBDHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000853247724 682398585 /nfs/dbraw/zinc/39/85/85/682398585.db2.gz YVFSMBWGZBBMSH-UHFFFAOYSA-N 1 3 368.865 2.328 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422626316 559598597 /nfs/dbraw/zinc/59/85/97/559598597.db2.gz DTFKPBHJMDBYTN-RDBSUJKOSA-N 1 3 364.446 2.237 20 5 FEBDHO Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423454184 559629580 /nfs/dbraw/zinc/62/95/80/559629580.db2.gz LGEUGYOUQKVAQP-NRXGSXMXSA-N 1 3 360.458 2.201 20 5 FEBDHO CC(C)[C@@H]([NH3+])CCN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430574333 559823441 /nfs/dbraw/zinc/82/34/41/559823441.db2.gz NWFKIORSUMZZFL-AWEZNQCLSA-N 1 3 350.419 2.198 20 5 FEBDHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000471864003 561013348 /nfs/dbraw/zinc/01/33/48/561013348.db2.gz HFHPKKZBRHUBFO-IEBWSBKVSA-N 1 3 357.458 2.463 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000595011605 673185919 /nfs/dbraw/zinc/18/59/19/673185919.db2.gz IQFISPTWWJIWTM-CQSZACIVSA-N 1 3 350.463 2.280 20 5 FEBDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008960 673186036 /nfs/dbraw/zinc/18/60/36/673186036.db2.gz WSIHGHQSTBUHSH-LSDHHAIUSA-N 1 3 350.463 2.280 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760041 558413838 /nfs/dbraw/zinc/41/38/38/558413838.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760041 558413840 /nfs/dbraw/zinc/41/38/40/558413840.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 1 3 355.442 2.245 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430594163 559824056 /nfs/dbraw/zinc/82/40/56/559824056.db2.gz GCEACQDTXGJRKW-AWEZNQCLSA-N 1 3 352.435 2.237 20 5 FEBDHO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000431067444 559833367 /nfs/dbraw/zinc/83/33/67/559833367.db2.gz DXOMIZRANYIFHZ-UHFFFAOYSA-N 1 3 364.446 2.396 20 5 FEBDHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569919859 568436554 /nfs/dbraw/zinc/43/65/54/568436554.db2.gz GKLTWDNXAXACQQ-KRWDZBQOSA-N 1 3 359.426 2.186 20 5 FEBDHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572903583 671058035 /nfs/dbraw/zinc/05/80/35/671058035.db2.gz WFSNUPGIESHQIV-INIZCTEOSA-N 1 3 351.447 2.187 20 5 FEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000866353610 684094365 /nfs/dbraw/zinc/09/43/65/684094365.db2.gz UVAIIJKTEQEUGX-CQSZACIVSA-N 1 3 352.454 2.281 20 5 FEBDHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000050802900 540415254 /nfs/dbraw/zinc/41/52/54/540415254.db2.gz KGSNATGDXCDLSV-UHFFFAOYSA-N 1 3 360.458 2.192 20 5 FEBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000152450088 544655297 /nfs/dbraw/zinc/65/52/97/544655297.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 1 3 362.430 2.166 20 5 FEBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152450088 544655300 /nfs/dbraw/zinc/65/53/00/544655300.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 1 3 362.430 2.166 20 5 FEBDHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554272 /nfs/dbraw/zinc/55/42/72/550554272.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 1 3 372.473 2.468 20 5 FEBDHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554274 /nfs/dbraw/zinc/55/42/74/550554274.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 1 3 372.473 2.468 20 5 FEBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814539 550556801 /nfs/dbraw/zinc/55/68/01/550556801.db2.gz IPFGBPNXOPWOHO-VQIMIIECSA-N 1 3 370.453 2.257 20 5 FEBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814539 550556803 /nfs/dbraw/zinc/55/68/03/550556803.db2.gz IPFGBPNXOPWOHO-VQIMIIECSA-N 1 3 370.453 2.257 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420370270 559483460 /nfs/dbraw/zinc/48/34/60/559483460.db2.gz OWFWVTUBAKTFGE-MRXNPFEDSA-N 1 3 364.446 2.429 20 5 FEBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068953 690841216 /nfs/dbraw/zinc/84/12/16/690841216.db2.gz QDBQDGYOJVYPGW-GJZGRUSLSA-N 1 3 350.463 2.280 20 5 FEBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078489894 542463770 /nfs/dbraw/zinc/46/37/70/542463770.db2.gz BKKNZXYGWMTFOA-UHFFFAOYSA-N 1 3 357.842 2.205 20 5 FEBDHO O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000090588873 325364603 /nfs/dbraw/zinc/36/46/03/325364603.db2.gz LPMYKMWSORSNER-UHFFFAOYSA-N 1 3 362.474 2.345 20 5 FEBDHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000521426646 562176008 /nfs/dbraw/zinc/17/60/08/562176008.db2.gz KWWJGUUESXQPPK-KRWDZBQOSA-N 1 3 351.447 2.045 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420363240 559483116 /nfs/dbraw/zinc/48/31/16/559483116.db2.gz JCCPYRXTTVSLII-MRXNPFEDSA-N 1 3 364.446 2.429 20 5 FEBDHO CCOC(=O)C1([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422950200 559612668 /nfs/dbraw/zinc/61/26/68/559612668.db2.gz XICPYPNTNGJPPM-ZDUSSCGKSA-N 1 3 365.430 2.014 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000430571299 559823221 /nfs/dbraw/zinc/82/32/21/559823221.db2.gz CNGBXWXHFBFFLR-AWEZNQCLSA-N 1 3 352.435 2.237 20 5 FEBDHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000471864296 561013361 /nfs/dbraw/zinc/01/33/61/561013361.db2.gz IBVUKSDDTYZXKX-QZTJIDSGSA-N 1 3 357.458 2.463 20 5 FEBDHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346344 680999042 /nfs/dbraw/zinc/99/90/42/680999042.db2.gz NOQPAWCQXZZFMF-UHFFFAOYSA-N 1 3 350.394 2.279 20 5 FEBDHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346344 680999044 /nfs/dbraw/zinc/99/90/44/680999044.db2.gz NOQPAWCQXZZFMF-UHFFFAOYSA-N 1 3 350.394 2.279 20 5 FEBDHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346344 680999046 /nfs/dbraw/zinc/99/90/46/680999046.db2.gz NOQPAWCQXZZFMF-UHFFFAOYSA-N 1 3 350.394 2.279 20 5 FEBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000152449996 544654551 /nfs/dbraw/zinc/65/45/51/544654551.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 1 3 362.430 2.166 20 5 FEBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000152449996 544654556 /nfs/dbraw/zinc/65/45/56/544654556.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 1 3 362.430 2.166 20 5 FEBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261948663 549772522 /nfs/dbraw/zinc/77/25/22/549772522.db2.gz YRVANMXIWMXNQP-IIDMSEBBSA-N 1 3 360.458 2.236 20 5 FEBDHO CN1CC=C(CNc2nc(NCC3=CC[N@H+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000277718741 550705789 /nfs/dbraw/zinc/70/57/89/550705789.db2.gz HQJVDJRUCJWQCR-UHFFFAOYSA-N 1 3 372.473 2.337 20 5 FEBDHO CN1CC=C(CNc2nc(NCC3=CC[N@@H+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000277718741 550705790 /nfs/dbraw/zinc/70/57/90/550705790.db2.gz HQJVDJRUCJWQCR-UHFFFAOYSA-N 1 3 372.473 2.337 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963291 556743298 /nfs/dbraw/zinc/74/32/98/556743298.db2.gz QGIRYRHXGJEYLU-FCLVOEFKSA-N 1 3 363.458 2.107 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963291 556743300 /nfs/dbraw/zinc/74/33/00/556743300.db2.gz QGIRYRHXGJEYLU-FCLVOEFKSA-N 1 3 363.458 2.107 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378422050 558553434 /nfs/dbraw/zinc/55/34/34/558553434.db2.gz AKKYXVWCWKEUGX-SFHVURJKSA-N 1 3 362.474 2.204 20 5 FEBDHO COc1cc(CNCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414838727 559190373 /nfs/dbraw/zinc/19/03/73/559190373.db2.gz VPWYUDWCGQZREI-LLVKDONJSA-N 1 3 359.373 2.337 20 5 FEBDHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422631945 559599007 /nfs/dbraw/zinc/59/90/07/559599007.db2.gz GBVFUHIANPCIKW-RDBSUJKOSA-N 1 3 364.446 2.237 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422637925 559599386 /nfs/dbraw/zinc/59/93/86/559599386.db2.gz PQXQOARPILXRTG-IHRRRGAJSA-N 1 3 364.446 2.237 20 5 FEBDHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423449585 559629441 /nfs/dbraw/zinc/62/94/41/559629441.db2.gz GJVHSVYFYWMELP-LMMKCTJWSA-N 1 3 360.458 2.282 20 5 FEBDHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593659 681412682 /nfs/dbraw/zinc/41/26/82/681412682.db2.gz YZTIRSQBGNTPRU-MSOLQXFVSA-N 1 3 351.447 2.061 20 5 FEBDHO COc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903166814 690859034 /nfs/dbraw/zinc/85/90/34/690859034.db2.gz DFUYYHUHBCMJNB-AWEZNQCLSA-N 1 3 350.463 2.280 20 5 FEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859410 544130128 /nfs/dbraw/zinc/13/01/28/544130128.db2.gz SATKEUNXTKXCFG-QGZVFWFLSA-N 1 3 363.462 2.475 20 5 FEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859410 544130129 /nfs/dbraw/zinc/13/01/29/544130129.db2.gz SATKEUNXTKXCFG-QGZVFWFLSA-N 1 3 363.462 2.475 20 5 FEBDHO C[NH+]1CCC2(CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366864548 555954707 /nfs/dbraw/zinc/95/47/07/555954707.db2.gz KUGZQXAQJXOEFK-MRXNPFEDSA-N 1 3 363.458 2.142 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766510 558415684 /nfs/dbraw/zinc/41/56/84/558415684.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766510 558415686 /nfs/dbraw/zinc/41/56/86/558415686.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 1 3 355.442 2.245 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435619421 559926505 /nfs/dbraw/zinc/92/65/05/559926505.db2.gz YDNAOYKSBCFLQG-ZDUSSCGKSA-N 1 3 350.419 2.006 20 5 FEBDHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569919861 568436613 /nfs/dbraw/zinc/43/66/13/568436613.db2.gz GKLTWDNXAXACQQ-QGZVFWFLSA-N 1 3 359.426 2.186 20 5 FEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857603 544129761 /nfs/dbraw/zinc/12/97/61/544129761.db2.gz BWPKEFIAFDRTAB-QGZVFWFLSA-N 1 3 363.462 2.475 20 5 FEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857603 544129762 /nfs/dbraw/zinc/12/97/62/544129762.db2.gz BWPKEFIAFDRTAB-QGZVFWFLSA-N 1 3 363.462 2.475 20 5 FEBDHO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000262064157 549785668 /nfs/dbraw/zinc/78/56/68/549785668.db2.gz ATIUSKMEYPQHOG-QGZVFWFLSA-N 1 3 356.426 2.334 20 5 FEBDHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422631944 559598904 /nfs/dbraw/zinc/59/89/04/559598904.db2.gz GBVFUHIANPCIKW-MJBXVCDLSA-N 1 3 364.446 2.237 20 5 FEBDHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579823845 671762885 /nfs/dbraw/zinc/76/28/85/671762885.db2.gz IVJOAJUUXJSMQL-MRXNPFEDSA-N 1 3 351.447 2.045 20 5 FEBDHO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611374247 676034480 /nfs/dbraw/zinc/03/44/80/676034480.db2.gz HRUFNRIBQVTHIZ-QGZVFWFLSA-N 1 3 350.438 2.334 20 5 FEBDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595007295 673185782 /nfs/dbraw/zinc/18/57/82/673185782.db2.gz MCDOGRDBGYIXBI-HNNXBMFYSA-N 1 3 350.463 2.282 20 5 FEBDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849077058 681649672 /nfs/dbraw/zinc/64/96/72/681649672.db2.gz JGGOBWIZWYCDHM-AWEZNQCLSA-N 1 3 353.854 2.389 20 5 FEBDHO COc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903166815 690859093 /nfs/dbraw/zinc/85/90/93/690859093.db2.gz DFUYYHUHBCMJNB-CQSZACIVSA-N 1 3 350.463 2.280 20 5 FEBDHO C[C@@H]1CN(CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000177483646 327525608 /nfs/dbraw/zinc/52/56/08/327525608.db2.gz KAYQKCXYTCYXAZ-HZPDHXFCSA-N 1 3 365.478 2.003 20 5 FEBDHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087411 561751121 /nfs/dbraw/zinc/75/11/21/561751121.db2.gz JBSMYJIOYSPHNC-AWEZNQCLSA-N 1 3 368.503 2.453 20 5 FEBDHO C[NH+]1CCC2(CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374073692 557818861 /nfs/dbraw/zinc/81/88/61/557818861.db2.gz CGGRRTMETQKVKJ-KRWDZBQOSA-N 1 3 363.458 2.142 20 5 FEBDHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414187240 559152144 /nfs/dbraw/zinc/15/21/44/559152144.db2.gz IFEPYRYKHQMHOG-INIZCTEOSA-N 1 3 362.474 2.042 20 5 FEBDHO C[C@@H]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000422642543 559599709 /nfs/dbraw/zinc/59/97/09/559599709.db2.gz ZNYUVUZARBPDPG-MGPQQGTHSA-N 1 3 362.430 2.198 20 5 FEBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395980 559627884 /nfs/dbraw/zinc/62/78/84/559627884.db2.gz SVMBRHPIGKZTDO-CVEARBPZSA-N 1 3 372.391 2.398 20 5 FEBDHO CC1(C)C[C@@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122371 559872412 /nfs/dbraw/zinc/87/24/12/559872412.db2.gz VPNHRPYMYGTYCU-RDTXWAMCSA-N 1 3 374.485 2.494 20 5 FEBDHO O=[N+]([O-])c1ccn(CCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435690013 559928222 /nfs/dbraw/zinc/92/82/22/559928222.db2.gz AWXLXKAGSDDUNJ-OAHLLOKOSA-N 1 3 361.471 2.497 20 5 FEBDHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000471864005 561013395 /nfs/dbraw/zinc/01/33/95/561013395.db2.gz HFHPKKZBRHUBFO-PKOBYXMFSA-N 1 3 357.458 2.463 20 5 FEBDHO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880287 562427174 /nfs/dbraw/zinc/42/71/74/562427174.db2.gz GPOPYMFKVUZQTO-CQSZACIVSA-N 1 3 368.503 2.027 20 5 FEBDHO CSC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+](C)CC1 ZINC000589326120 672521847 /nfs/dbraw/zinc/52/18/47/672521847.db2.gz YNWNUJQORZPOGG-UHFFFAOYSA-N 1 3 367.471 2.283 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855346296 682659764 /nfs/dbraw/zinc/65/97/64/682659764.db2.gz VNNRRNGTGWRAEC-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855346296 682659767 /nfs/dbraw/zinc/65/97/67/682659767.db2.gz VNNRRNGTGWRAEC-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000051236040 540427766 /nfs/dbraw/zinc/42/77/66/540427766.db2.gz VWZIOFWXCDKQSF-UHFFFAOYSA-N 1 3 361.446 2.275 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000489829539 561420140 /nfs/dbraw/zinc/42/01/40/561420140.db2.gz SCRNAKLIZZGDEG-CYBMUJFWSA-N 1 3 350.419 2.135 20 5 FEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877314 560754030 /nfs/dbraw/zinc/75/40/30/560754030.db2.gz CAOAVCDNOFPNDB-SFHVURJKSA-N 1 3 362.474 2.012 20 5 FEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877314 560754031 /nfs/dbraw/zinc/75/40/31/560754031.db2.gz CAOAVCDNOFPNDB-SFHVURJKSA-N 1 3 362.474 2.012 20 5 FEBDHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000817880355 675184794 /nfs/dbraw/zinc/18/47/94/675184794.db2.gz QFMFYBFAGOZFCP-AGIUHOORSA-N 1 3 352.410 2.368 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596449392 673385686 /nfs/dbraw/zinc/38/56/86/673385686.db2.gz HQCBSUPTUWWYOJ-LBPRGKRZSA-N 1 3 355.414 2.127 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596449392 673385692 /nfs/dbraw/zinc/38/56/92/673385692.db2.gz HQCBSUPTUWWYOJ-LBPRGKRZSA-N 1 3 355.414 2.127 20 5 FEBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047970199 540337501 /nfs/dbraw/zinc/33/75/01/540337501.db2.gz ATTAMGWLFDJUIL-SFHVURJKSA-N 1 3 363.458 2.142 20 5 FEBDHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000123383654 326429722 /nfs/dbraw/zinc/42/97/22/326429722.db2.gz YSCMRNATPKOAOX-SFHVURJKSA-N 1 3 365.474 2.388 20 5 FEBDHO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374260479 557853829 /nfs/dbraw/zinc/85/38/29/557853829.db2.gz WBIGUEVPSLXRBF-INIZCTEOSA-N 1 3 362.474 2.074 20 5 FEBDHO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CCN(C)CC1 ZINC000374260479 557853831 /nfs/dbraw/zinc/85/38/31/557853831.db2.gz WBIGUEVPSLXRBF-INIZCTEOSA-N 1 3 362.474 2.074 20 5 FEBDHO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333184 559481323 /nfs/dbraw/zinc/48/13/23/559481323.db2.gz HNYCEGKKYIMZOG-MRXNPFEDSA-N 1 3 374.441 2.357 20 5 FEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OCCC[NH3+])CC1 ZINC000430577265 559823369 /nfs/dbraw/zinc/82/33/69/559823369.db2.gz XEVNLPLMARWVEM-UHFFFAOYSA-N 1 3 364.446 2.062 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597941662 673521892 /nfs/dbraw/zinc/52/18/92/673521892.db2.gz CRHWEZXPVQIBBV-ZDUSSCGKSA-N 1 3 370.881 2.179 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597941662 673521893 /nfs/dbraw/zinc/52/18/93/673521893.db2.gz CRHWEZXPVQIBBV-ZDUSSCGKSA-N 1 3 370.881 2.179 20 5 FEBDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068954 690841113 /nfs/dbraw/zinc/84/11/13/690841113.db2.gz QDBQDGYOJVYPGW-HUUCEWRRSA-N 1 3 350.463 2.280 20 5 FEBDHO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133630467 544277708 /nfs/dbraw/zinc/27/77/08/544277708.db2.gz DJEMBZSRDXFQMT-UHFFFAOYSA-N 1 3 351.451 2.169 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107496 /nfs/dbraw/zinc/10/74/96/326107496.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 1 3 364.446 2.206 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107499 /nfs/dbraw/zinc/10/74/99/326107499.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 1 3 364.446 2.206 20 5 FEBDHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945374 547410729 /nfs/dbraw/zinc/41/07/29/547410729.db2.gz NJIULUTXVRFGTG-INIZCTEOSA-N 1 3 351.447 2.141 20 5 FEBDHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945374 547410733 /nfs/dbraw/zinc/41/07/33/547410733.db2.gz NJIULUTXVRFGTG-INIZCTEOSA-N 1 3 351.447 2.141 20 5 FEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460178 561762820 /nfs/dbraw/zinc/76/28/20/561762820.db2.gz XSVLUCGRRFMOTE-GOSISDBHSA-N 1 3 362.474 2.012 20 5 FEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460178 561762821 /nfs/dbraw/zinc/76/28/21/561762821.db2.gz XSVLUCGRRFMOTE-GOSISDBHSA-N 1 3 362.474 2.012 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000361099220 554904129 /nfs/dbraw/zinc/90/41/29/554904129.db2.gz BQAIAINRVYLVCO-AYOQOUSVSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000361099220 554904130 /nfs/dbraw/zinc/90/41/30/554904130.db2.gz BQAIAINRVYLVCO-AYOQOUSVSA-N 1 3 363.458 2.453 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760043 558413704 /nfs/dbraw/zinc/41/37/04/558413704.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760043 558413707 /nfs/dbraw/zinc/41/37/07/558413707.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969440 559197938 /nfs/dbraw/zinc/19/79/38/559197938.db2.gz GSASALLKCHVUEI-SJDLMVEWSA-N 1 3 358.364 2.034 20 5 FEBDHO CC1(C)C[C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122369 559872406 /nfs/dbraw/zinc/87/24/06/559872406.db2.gz VPNHRPYMYGTYCU-KSSFIOAISA-N 1 3 374.485 2.494 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107945 /nfs/dbraw/zinc/10/79/45/326107945.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 1 3 364.446 2.206 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107947 /nfs/dbraw/zinc/10/79/47/326107947.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 1 3 364.446 2.206 20 5 FEBDHO C[C@H]1CN(CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000177483625 327525604 /nfs/dbraw/zinc/52/56/04/327525604.db2.gz KAYQKCXYTCYXAZ-HOTGVXAUSA-N 1 3 365.478 2.003 20 5 FEBDHO C[C@@H]1CN(CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000177483604 546629018 /nfs/dbraw/zinc/62/90/18/546629018.db2.gz KAYQKCXYTCYXAZ-IYBDPMFKSA-N 1 3 365.478 2.003 20 5 FEBDHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000492912837 561453396 /nfs/dbraw/zinc/45/33/96/561453396.db2.gz QGRGNIFAMLTETC-UHFFFAOYSA-N 1 3 350.463 2.061 20 5 FEBDHO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCNCC1 ZINC000435613183 559926276 /nfs/dbraw/zinc/92/62/76/559926276.db2.gz JHFSKIRQIXURAZ-AWEZNQCLSA-N 1 3 362.430 2.357 20 5 FEBDHO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCNCC1 ZINC000435613183 559926277 /nfs/dbraw/zinc/92/62/77/559926277.db2.gz JHFSKIRQIXURAZ-AWEZNQCLSA-N 1 3 362.430 2.357 20 5 FEBDHO CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCC[NH2+]CC1 ZINC000435613183 559926278 /nfs/dbraw/zinc/92/62/78/559926278.db2.gz JHFSKIRQIXURAZ-AWEZNQCLSA-N 1 3 362.430 2.357 20 5 FEBDHO CC[NH+]1CCC(N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355555 558162420 /nfs/dbraw/zinc/16/24/20/558162420.db2.gz TWQZHBSOUMNONV-KRWDZBQOSA-N 1 3 363.458 2.283 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413872 /nfs/dbraw/zinc/41/38/72/558413872.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413874 /nfs/dbraw/zinc/41/38/74/558413874.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 1 3 355.442 2.245 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422637926 559599290 /nfs/dbraw/zinc/59/92/90/559599290.db2.gz PQXQOARPILXRTG-MCIONIFRSA-N 1 3 364.446 2.237 20 5 FEBDHO CC1(C)C[C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122368 559872468 /nfs/dbraw/zinc/87/24/68/559872468.db2.gz VPNHRPYMYGTYCU-KDOFPFPSSA-N 1 3 374.485 2.494 20 5 FEBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000468635755 560934635 /nfs/dbraw/zinc/93/46/35/560934635.db2.gz STFNGBWQBIIXGY-HKBKRHGFSA-N 1 3 360.458 2.175 20 5 FEBDHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000817880357 675184741 /nfs/dbraw/zinc/18/47/41/675184741.db2.gz QFMFYBFAGOZFCP-JHJVBQTASA-N 1 3 352.410 2.368 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855346246 682659850 /nfs/dbraw/zinc/65/98/50/682659850.db2.gz SXYCQJWEUPNDCG-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855346246 682659854 /nfs/dbraw/zinc/65/98/54/682659854.db2.gz SXYCQJWEUPNDCG-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO CN1CC[C@@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707605 /nfs/dbraw/zinc/70/76/05/552707605.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 1 3 350.394 2.090 20 5 FEBDHO CN1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707607 /nfs/dbraw/zinc/70/76/07/552707607.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 1 3 350.394 2.090 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963294 556743272 /nfs/dbraw/zinc/74/32/72/556743272.db2.gz QGIRYRHXGJEYLU-ZWQIFLOQSA-N 1 3 363.458 2.107 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963294 556743273 /nfs/dbraw/zinc/74/32/73/556743273.db2.gz QGIRYRHXGJEYLU-ZWQIFLOQSA-N 1 3 363.458 2.107 20 5 FEBDHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340060 559482005 /nfs/dbraw/zinc/48/20/05/559482005.db2.gz ZTVYTDKBQBPYDX-HDMKZQKVSA-N 1 3 358.442 2.022 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420370265 559483428 /nfs/dbraw/zinc/48/34/28/559483428.db2.gz OWFWVTUBAKTFGE-INIZCTEOSA-N 1 3 364.446 2.429 20 5 FEBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008956 673186109 /nfs/dbraw/zinc/18/61/09/673186109.db2.gz WSIHGHQSTBUHSH-GJZGRUSLSA-N 1 3 350.463 2.280 20 5 FEBDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000281486885 551103660 /nfs/dbraw/zinc/10/36/60/551103660.db2.gz XBQUTQAJBKTBMJ-UHFFFAOYSA-N 1 3 352.410 2.480 20 5 FEBDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000281486885 551103662 /nfs/dbraw/zinc/10/36/62/551103662.db2.gz XBQUTQAJBKTBMJ-UHFFFAOYSA-N 1 3 352.410 2.480 20 5 FEBDHO CCOC(=O)C1([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000422722043 559604197 /nfs/dbraw/zinc/60/41/97/559604197.db2.gz WUGGKYZGADHLAS-CYBMUJFWSA-N 1 3 365.430 2.014 20 5 FEBDHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562571 560164618 /nfs/dbraw/zinc/16/46/18/560164618.db2.gz MIGMFZANJPNZBV-CRAIPNDOSA-N 1 3 360.458 2.149 20 5 FEBDHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449197598 560219733 /nfs/dbraw/zinc/21/97/33/560219733.db2.gz WOPKJEKSEZRTOE-MRXNPFEDSA-N 1 3 357.458 2.477 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597941491 673521681 /nfs/dbraw/zinc/52/16/81/673521681.db2.gz BCYNGVPVRMQGGV-GJZGRUSLSA-N 1 3 350.463 2.087 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597941491 673521684 /nfs/dbraw/zinc/52/16/84/673521684.db2.gz BCYNGVPVRMQGGV-GJZGRUSLSA-N 1 3 350.463 2.087 20 5 FEBDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068955 690841296 /nfs/dbraw/zinc/84/12/96/690841296.db2.gz QDBQDGYOJVYPGW-LSDHHAIUSA-N 1 3 350.463 2.280 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343932 555295547 /nfs/dbraw/zinc/29/55/47/555295547.db2.gz PULYLNSJLUHMLQ-LZQZEXGQSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343932 555295549 /nfs/dbraw/zinc/29/55/49/555295549.db2.gz PULYLNSJLUHMLQ-LZQZEXGQSA-N 1 3 363.458 2.453 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000420317551 559480085 /nfs/dbraw/zinc/48/00/85/559480085.db2.gz VBRMXDPBLNSREI-ZDUSSCGKSA-N 1 3 350.419 2.006 20 5 FEBDHO O=[N+]([O-])c1ccn(CCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435690012 559928163 /nfs/dbraw/zinc/92/81/63/559928163.db2.gz AWXLXKAGSDDUNJ-HNNXBMFYSA-N 1 3 361.471 2.497 20 5 FEBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780045 560057235 /nfs/dbraw/zinc/05/72/35/560057235.db2.gz MYKKPAMQGBFWMG-NNQSOWQGSA-N 1 3 360.414 2.108 20 5 FEBDHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000471864002 561013292 /nfs/dbraw/zinc/01/32/92/561013292.db2.gz HFHPKKZBRHUBFO-HKUYNNGSSA-N 1 3 357.458 2.463 20 5 FEBDHO C[NH+](C)CC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000532921124 562492613 /nfs/dbraw/zinc/49/26/13/562492613.db2.gz SVIDQUYYEOEECX-UHFFFAOYSA-N 1 3 362.430 2.166 20 5 FEBDHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000817880356 675184731 /nfs/dbraw/zinc/18/47/31/675184731.db2.gz QFMFYBFAGOZFCP-FRRDWIJNSA-N 1 3 352.410 2.368 20 5 FEBDHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000817880358 675184785 /nfs/dbraw/zinc/18/47/85/675184785.db2.gz QFMFYBFAGOZFCP-UPJWGTAASA-N 1 3 352.410 2.368 20 5 FEBDHO COCC[NH+]1CCC(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237122896 548801916 /nfs/dbraw/zinc/80/19/16/548801916.db2.gz CZYXAFVSCNHTAH-UHFFFAOYSA-N 1 3 373.457 2.196 20 5 FEBDHO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000262163315 549794847 /nfs/dbraw/zinc/79/48/47/549794847.db2.gz SZQJNERYAVXCOA-QGZVFWFLSA-N 1 3 356.426 2.334 20 5 FEBDHO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333176 559481269 /nfs/dbraw/zinc/48/12/69/559481269.db2.gz HNYCEGKKYIMZOG-INIZCTEOSA-N 1 3 374.441 2.357 20 5 FEBDHO C[C@@H]1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000422642544 559599701 /nfs/dbraw/zinc/59/97/01/559599701.db2.gz ZNYUVUZARBPDPG-RDBSUJKOSA-N 1 3 362.430 2.198 20 5 FEBDHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000470002237 560971562 /nfs/dbraw/zinc/97/15/62/560971562.db2.gz FNABGUHCEMPHNX-HNNXBMFYSA-N 1 3 372.425 2.142 20 5 FEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596843786 673419248 /nfs/dbraw/zinc/41/92/48/673419248.db2.gz VAZJKJTVJYDQLH-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596843786 673419252 /nfs/dbraw/zinc/41/92/52/673419252.db2.gz VAZJKJTVJYDQLH-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO C[NH2+]CCCC(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000853247645 682398316 /nfs/dbraw/zinc/39/83/16/682398316.db2.gz WIAFUNMHRQBUAH-UHFFFAOYSA-N 1 3 368.865 2.328 20 5 FEBDHO COc1cc(CNCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414838733 559190439 /nfs/dbraw/zinc/19/04/39/559190439.db2.gz VPWYUDWCGQZREI-NSHDSACASA-N 1 3 359.373 2.337 20 5 FEBDHO COc1ccc(-c2ccc(CN3CCC(O)(C[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000415140125 559208011 /nfs/dbraw/zinc/20/80/11/559208011.db2.gz JQFFGEBIGIRHQU-UHFFFAOYSA-N 1 3 361.398 2.149 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000420317443 559480140 /nfs/dbraw/zinc/48/01/40/559480140.db2.gz OOPQQIVPKDGEJP-CYBMUJFWSA-N 1 3 350.419 2.135 20 5 FEBDHO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000596634677 673399221 /nfs/dbraw/zinc/39/92/21/673399221.db2.gz BMCVVEDQWRVRJO-ZDUSSCGKSA-N 1 3 351.451 2.297 20 5 FEBDHO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000596634677 673399227 /nfs/dbraw/zinc/39/92/27/673399227.db2.gz BMCVVEDQWRVRJO-ZDUSSCGKSA-N 1 3 351.451 2.297 20 5 FEBDHO CCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597943363 673522192 /nfs/dbraw/zinc/52/21/92/673522192.db2.gz ZNMATRIBAVJNHE-AWEZNQCLSA-N 1 3 350.463 2.159 20 5 FEBDHO CCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597943363 673522194 /nfs/dbraw/zinc/52/21/94/673522194.db2.gz ZNMATRIBAVJNHE-AWEZNQCLSA-N 1 3 350.463 2.159 20 5 FEBDHO COCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000877665419 686432613 /nfs/dbraw/zinc/43/26/13/686432613.db2.gz UXQMOKANRKOTLU-UHFFFAOYSA-N 1 3 351.447 2.394 20 5 FEBDHO Cn1cc(CN2CCC(OCCC[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435372367 559921696 /nfs/dbraw/zinc/92/16/96/559921696.db2.gz AFMZRJVPBUWTKL-UHFFFAOYSA-N 1 3 373.457 2.325 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597942999 673521900 /nfs/dbraw/zinc/52/19/00/673521900.db2.gz SKEBDKQFPGCHPV-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597942999 673521901 /nfs/dbraw/zinc/52/19/01/673521901.db2.gz SKEBDKQFPGCHPV-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068952 690841035 /nfs/dbraw/zinc/84/10/35/690841035.db2.gz QDBQDGYOJVYPGW-CABCVRRESA-N 1 3 350.463 2.280 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000361099221 554904153 /nfs/dbraw/zinc/90/41/53/554904153.db2.gz BQAIAINRVYLVCO-LZQZEXGQSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000361099221 554904154 /nfs/dbraw/zinc/90/41/54/554904154.db2.gz BQAIAINRVYLVCO-LZQZEXGQSA-N 1 3 363.458 2.453 20 5 FEBDHO COc1ccc(NC(=O)CCN[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420355581 559482764 /nfs/dbraw/zinc/48/27/64/559482764.db2.gz CBLSVKJXSMBQTE-INIZCTEOSA-N 1 3 364.446 2.429 20 5 FEBDHO Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423454005 559629668 /nfs/dbraw/zinc/62/96/68/559629668.db2.gz LGEUGYOUQKVAQP-CRFBAAHOSA-N 1 3 360.458 2.201 20 5 FEBDHO Cc1c([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423470713 559629877 /nfs/dbraw/zinc/62/98/77/559629877.db2.gz ZGJGUBGYWLPYLK-NRXGSXMXSA-N 1 3 360.458 2.201 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430571301 559823083 /nfs/dbraw/zinc/82/30/83/559823083.db2.gz CNGBXWXHFBFFLR-CQSZACIVSA-N 1 3 352.435 2.237 20 5 FEBDHO CCCN1CCC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000569229287 568315848 /nfs/dbraw/zinc/31/58/48/568315848.db2.gz NOHHKKGUJYAPKH-UHFFFAOYSA-N 1 3 369.487 2.080 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413956 /nfs/dbraw/zinc/41/39/56/558413956.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413957 /nfs/dbraw/zinc/41/39/57/558413957.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 1 3 355.442 2.245 20 5 FEBDHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000471864297 561013429 /nfs/dbraw/zinc/01/34/29/561013429.db2.gz IBVUKSDDTYZXKX-ROUUACIJSA-N 1 3 357.458 2.463 20 5 FEBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008954 673185958 /nfs/dbraw/zinc/18/59/58/673185958.db2.gz WSIHGHQSTBUHSH-CABCVRRESA-N 1 3 350.463 2.280 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000489829542 561420108 /nfs/dbraw/zinc/42/01/08/561420108.db2.gz SCRNAKLIZZGDEG-ZDUSSCGKSA-N 1 3 350.419 2.135 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345262 555296135 /nfs/dbraw/zinc/29/61/35/555296135.db2.gz UYCJBFPHVHGMHM-ZACQAIPSSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345262 555296136 /nfs/dbraw/zinc/29/61/36/555296136.db2.gz UYCJBFPHVHGMHM-ZACQAIPSSA-N 1 3 363.458 2.453 20 5 FEBDHO C[NH+]1CCC2(CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374073693 557818630 /nfs/dbraw/zinc/81/86/30/557818630.db2.gz CGGRRTMETQKVKJ-QGZVFWFLSA-N 1 3 363.458 2.142 20 5 FEBDHO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969442 559198020 /nfs/dbraw/zinc/19/80/20/559198020.db2.gz GSASALLKCHVUEI-UYWPIULCSA-N 1 3 358.364 2.034 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000430566462 559823067 /nfs/dbraw/zinc/82/30/67/559823067.db2.gz CMEKARPNPQJIOW-AWEZNQCLSA-N 1 3 352.435 2.237 20 5 FEBDHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562574 560164607 /nfs/dbraw/zinc/16/46/07/560164607.db2.gz MIGMFZANJPNZBV-YJBOKZPZSA-N 1 3 360.458 2.149 20 5 FEBDHO CC[NH+]1CCC(N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258561 557122245 /nfs/dbraw/zinc/12/22/45/557122245.db2.gz BGPKQYAEAUOCEA-SFHVURJKSA-N 1 3 363.458 2.283 20 5 FEBDHO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000374600048 557905089 /nfs/dbraw/zinc/90/50/89/557905089.db2.gz ABNSTEUYULFTHK-INIZCTEOSA-N 1 3 362.474 2.074 20 5 FEBDHO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374600048 557905091 /nfs/dbraw/zinc/90/50/91/557905091.db2.gz ABNSTEUYULFTHK-INIZCTEOSA-N 1 3 362.474 2.074 20 5 FEBDHO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374600048 557905092 /nfs/dbraw/zinc/90/50/92/557905092.db2.gz ABNSTEUYULFTHK-INIZCTEOSA-N 1 3 362.474 2.074 20 5 FEBDHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000471864298 561013318 /nfs/dbraw/zinc/01/33/18/561013318.db2.gz IBVUKSDDTYZXKX-ZWKOTPCHSA-N 1 3 357.458 2.463 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000281192976 551072390 /nfs/dbraw/zinc/07/23/90/551072390.db2.gz BVDLIPWMAIHSRP-UHFFFAOYSA-N 1 3 364.446 2.350 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000281192976 551072391 /nfs/dbraw/zinc/07/23/91/551072391.db2.gz BVDLIPWMAIHSRP-UHFFFAOYSA-N 1 3 364.446 2.350 20 5 FEBDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000520834760 562164705 /nfs/dbraw/zinc/16/47/05/562164705.db2.gz MLYGWPFBWQZLID-UHFFFAOYSA-N 1 3 374.485 2.407 20 5 FEBDHO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969439 559197839 /nfs/dbraw/zinc/19/78/39/559197839.db2.gz GSASALLKCHVUEI-QTLSWZBMSA-N 1 3 358.364 2.034 20 5 FEBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000866353607 684094218 /nfs/dbraw/zinc/09/42/18/684094218.db2.gz UVAIIJKTEQEUGX-AWEZNQCLSA-N 1 3 352.454 2.281 20 5 FEBDHO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797479 540414933 /nfs/dbraw/zinc/41/49/33/540414933.db2.gz TXVQYWIEOYPMAV-UHFFFAOYSA-N 1 3 360.458 2.192 20 5 FEBDHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804645 542481618 /nfs/dbraw/zinc/48/16/18/542481618.db2.gz WFRQSKNFSDKVPN-QGZVFWFLSA-N 1 3 351.447 2.139 20 5 FEBDHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804645 542481622 /nfs/dbraw/zinc/48/16/22/542481622.db2.gz WFRQSKNFSDKVPN-QGZVFWFLSA-N 1 3 351.447 2.139 20 5 FEBDHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182324644 327770648 /nfs/dbraw/zinc/77/06/48/327770648.db2.gz WNONKVYACSIDFH-QGZVFWFLSA-N 1 3 365.474 2.388 20 5 FEBDHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035944 550481809 /nfs/dbraw/zinc/48/18/09/550481809.db2.gz NWZDTXWNQFSGCC-INIZCTEOSA-N 1 3 351.447 2.139 20 5 FEBDHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035944 550481811 /nfs/dbraw/zinc/48/18/11/550481811.db2.gz NWZDTXWNQFSGCC-INIZCTEOSA-N 1 3 351.447 2.139 20 5 FEBDHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422631940 559599000 /nfs/dbraw/zinc/59/90/00/559599000.db2.gz GBVFUHIANPCIKW-IHRRRGAJSA-N 1 3 364.446 2.237 20 5 FEBDHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470012599 560972085 /nfs/dbraw/zinc/97/20/85/560972085.db2.gz RDBQHJAXUGOVLE-OAHLLOKOSA-N 1 3 372.425 2.142 20 5 FEBDHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000471864004 561013403 /nfs/dbraw/zinc/01/34/03/561013403.db2.gz HFHPKKZBRHUBFO-MJGOQNOKSA-N 1 3 357.458 2.463 20 5 FEBDHO CCCC[N@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518242 325361989 /nfs/dbraw/zinc/36/19/89/325361989.db2.gz XIXBKZLOIFUVSM-UHFFFAOYSA-N 1 3 350.463 2.200 20 5 FEBDHO CCCC[N@@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518242 325361991 /nfs/dbraw/zinc/36/19/91/325361991.db2.gz XIXBKZLOIFUVSM-UHFFFAOYSA-N 1 3 350.463 2.200 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000499915331 561561395 /nfs/dbraw/zinc/56/13/95/561561395.db2.gz XQPMEXYXYHKRHF-UHFFFAOYSA-N 1 3 364.446 2.350 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000499915331 561561396 /nfs/dbraw/zinc/56/13/96/561561396.db2.gz XQPMEXYXYHKRHF-UHFFFAOYSA-N 1 3 364.446 2.350 20 5 FEBDHO COc1ccc(NC(=O)CCN[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420355583 559482770 /nfs/dbraw/zinc/48/27/70/559482770.db2.gz CBLSVKJXSMBQTE-MRXNPFEDSA-N 1 3 364.446 2.429 20 5 FEBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395984 559627789 /nfs/dbraw/zinc/62/77/89/559627789.db2.gz SVMBRHPIGKZTDO-HZPDHXFCSA-N 1 3 372.391 2.398 20 5 FEBDHO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623332 559926575 /nfs/dbraw/zinc/92/65/75/559926575.db2.gz CEQMNQPKRVTMHN-CQSZACIVSA-N 1 3 364.446 2.396 20 5 FEBDHO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCNCC1 ZINC000435623332 559926576 /nfs/dbraw/zinc/92/65/76/559926576.db2.gz CEQMNQPKRVTMHN-CQSZACIVSA-N 1 3 364.446 2.396 20 5 FEBDHO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCNCC1 ZINC000435623332 559926577 /nfs/dbraw/zinc/92/65/77/559926577.db2.gz CEQMNQPKRVTMHN-CQSZACIVSA-N 1 3 364.446 2.396 20 5 FEBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000468635757 560934564 /nfs/dbraw/zinc/93/45/64/560934564.db2.gz STFNGBWQBIIXGY-JMPLCFMRSA-N 1 3 360.458 2.175 20 5 FEBDHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000596107169 673359282 /nfs/dbraw/zinc/35/92/82/673359282.db2.gz SLBVUHOTRSJWMY-UHFFFAOYSA-N 1 3 368.865 2.328 20 5 FEBDHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000596627456 673398660 /nfs/dbraw/zinc/39/86/60/673398660.db2.gz YZWIUTKLCCEOFQ-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000596627456 673398662 /nfs/dbraw/zinc/39/86/62/673398662.db2.gz YZWIUTKLCCEOFQ-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000047977369 540338475 /nfs/dbraw/zinc/33/84/75/540338475.db2.gz JQHNIKNBSFLOES-GOSISDBHSA-N 1 3 365.474 2.388 20 5 FEBDHO C[C@@H]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000422642542 559599739 /nfs/dbraw/zinc/59/97/39/559599739.db2.gz ZNYUVUZARBPDPG-MCIONIFRSA-N 1 3 362.430 2.198 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430594165 559824044 /nfs/dbraw/zinc/82/40/44/559824044.db2.gz GCEACQDTXGJRKW-CQSZACIVSA-N 1 3 352.435 2.237 20 5 FEBDHO CCOc1ccc(NC(=O)CN(C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000843353786 680999255 /nfs/dbraw/zinc/99/92/55/680999255.db2.gz JLNZMWGCFLJFJX-UHFFFAOYSA-N 1 3 350.419 2.134 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849275717 681675136 /nfs/dbraw/zinc/67/51/36/681675136.db2.gz VVYFEFLSNICOIG-ZDUSSCGKSA-N 1 3 353.492 2.153 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849275717 681675138 /nfs/dbraw/zinc/67/51/38/681675138.db2.gz VVYFEFLSNICOIG-ZDUSSCGKSA-N 1 3 353.492 2.153 20 5 FEBDHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804644 542481910 /nfs/dbraw/zinc/48/19/10/542481910.db2.gz WFRQSKNFSDKVPN-KRWDZBQOSA-N 1 3 351.447 2.139 20 5 FEBDHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804644 542481911 /nfs/dbraw/zinc/48/19/11/542481911.db2.gz WFRQSKNFSDKVPN-KRWDZBQOSA-N 1 3 351.447 2.139 20 5 FEBDHO C[N@H+](CCCN1CCCC1)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000499908965 561561291 /nfs/dbraw/zinc/56/12/91/561561291.db2.gz UGVZLKQOMOPMSN-UHFFFAOYSA-N 1 3 362.430 2.311 20 5 FEBDHO C[N@@H+](CCCN1CCCC1)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000499908965 561561292 /nfs/dbraw/zinc/56/12/92/561561292.db2.gz UGVZLKQOMOPMSN-UHFFFAOYSA-N 1 3 362.430 2.311 20 5 FEBDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008958 673186083 /nfs/dbraw/zinc/18/60/83/673186083.db2.gz WSIHGHQSTBUHSH-HUUCEWRRSA-N 1 3 350.463 2.280 20 5 FEBDHO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345342 682659715 /nfs/dbraw/zinc/65/97/15/682659715.db2.gz QTYBZQJYICGYMB-LBPRGKRZSA-N 1 3 354.426 2.044 20 5 FEBDHO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855345342 682659718 /nfs/dbraw/zinc/65/97/18/682659718.db2.gz QTYBZQJYICGYMB-LBPRGKRZSA-N 1 3 354.426 2.044 20 5 FEBDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000092820911 542888335 /nfs/dbraw/zinc/88/83/35/542888335.db2.gz CGOBYTNITDUXRF-UHFFFAOYSA-N 1 3 358.446 2.425 20 5 FEBDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000092820911 542888339 /nfs/dbraw/zinc/88/83/39/542888339.db2.gz CGOBYTNITDUXRF-UHFFFAOYSA-N 1 3 358.446 2.425 20 5 FEBDHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035946 550481740 /nfs/dbraw/zinc/48/17/40/550481740.db2.gz NWZDTXWNQFSGCC-MRXNPFEDSA-N 1 3 351.447 2.139 20 5 FEBDHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035946 550481741 /nfs/dbraw/zinc/48/17/41/550481741.db2.gz NWZDTXWNQFSGCC-MRXNPFEDSA-N 1 3 351.447 2.139 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422637928 559599323 /nfs/dbraw/zinc/59/93/23/559599323.db2.gz PQXQOARPILXRTG-RDBSUJKOSA-N 1 3 364.446 2.237 20 5 FEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OCCC[NH3+])CC1 ZINC000430595337 559824119 /nfs/dbraw/zinc/82/41/19/559824119.db2.gz XKUKWLZWJLQIKT-UHFFFAOYSA-N 1 3 364.446 2.062 20 5 FEBDHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449197597 560219852 /nfs/dbraw/zinc/21/98/52/560219852.db2.gz WOPKJEKSEZRTOE-INIZCTEOSA-N 1 3 357.458 2.477 20 5 FEBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261948674 549772613 /nfs/dbraw/zinc/77/26/13/549772613.db2.gz YRVANMXIWMXNQP-VKJFTORMSA-N 1 3 360.458 2.236 20 5 FEBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395982 559627765 /nfs/dbraw/zinc/62/77/65/559627765.db2.gz SVMBRHPIGKZTDO-HOTGVXAUSA-N 1 3 372.391 2.398 20 5 FEBDHO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000128702892 544068024 /nfs/dbraw/zinc/06/80/24/544068024.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 1 3 352.410 2.336 20 5 FEBDHO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000128702892 544068026 /nfs/dbraw/zinc/06/80/26/544068026.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 1 3 352.410 2.336 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841620 326107280 /nfs/dbraw/zinc/10/72/80/326107280.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 1 3 364.446 2.206 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841620 326107284 /nfs/dbraw/zinc/10/72/84/326107284.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 1 3 364.446 2.206 20 5 FEBDHO Cc1c(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000164041655 327063536 /nfs/dbraw/zinc/06/35/36/327063536.db2.gz COWCHFXKPOOVRV-UHFFFAOYSA-N 1 3 374.485 2.121 20 5 FEBDHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945395 547411241 /nfs/dbraw/zinc/41/12/41/547411241.db2.gz NJIULUTXVRFGTG-MRXNPFEDSA-N 1 3 351.447 2.141 20 5 FEBDHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945395 547411245 /nfs/dbraw/zinc/41/12/45/547411245.db2.gz NJIULUTXVRFGTG-MRXNPFEDSA-N 1 3 351.447 2.141 20 5 FEBDHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182324621 547474083 /nfs/dbraw/zinc/47/40/83/547474083.db2.gz WNONKVYACSIDFH-KRWDZBQOSA-N 1 3 365.474 2.388 20 5 FEBDHO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000262196376 549797538 /nfs/dbraw/zinc/79/75/38/549797538.db2.gz ZIJKFBSUACHKQQ-HNNXBMFYSA-N 1 3 356.426 2.334 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343931 555295404 /nfs/dbraw/zinc/29/54/04/555295404.db2.gz PULYLNSJLUHMLQ-AYOQOUSVSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000364343931 555295405 /nfs/dbraw/zinc/29/54/05/555295405.db2.gz PULYLNSJLUHMLQ-AYOQOUSVSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000422642541 559599726 /nfs/dbraw/zinc/59/97/26/559599726.db2.gz ZNYUVUZARBPDPG-HZSPNIEDSA-N 1 3 362.430 2.198 20 5 FEBDHO Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000530756669 562422975 /nfs/dbraw/zinc/42/29/75/562422975.db2.gz XKNCFFCITGTLDJ-OAHLLOKOSA-N 1 3 365.478 2.099 20 5 FEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859643 544130030 /nfs/dbraw/zinc/13/00/30/544130030.db2.gz SATKEUNXTKXCFG-KRWDZBQOSA-N 1 3 363.462 2.475 20 5 FEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859643 544130033 /nfs/dbraw/zinc/13/00/33/544130033.db2.gz SATKEUNXTKXCFG-KRWDZBQOSA-N 1 3 363.462 2.475 20 5 FEBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814536 550556931 /nfs/dbraw/zinc/55/69/31/550556931.db2.gz IPFGBPNXOPWOHO-QFBILLFUSA-N 1 3 370.453 2.257 20 5 FEBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814536 550556932 /nfs/dbraw/zinc/55/69/32/550556932.db2.gz IPFGBPNXOPWOHO-QFBILLFUSA-N 1 3 370.453 2.257 20 5 FEBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512561010 561909075 /nfs/dbraw/zinc/90/90/75/561909075.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 1 3 374.441 2.450 20 5 FEBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512561010 561909077 /nfs/dbraw/zinc/90/90/77/561909077.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 1 3 374.441 2.450 20 5 FEBDHO O=C1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000423458095 559629569 /nfs/dbraw/zinc/62/95/69/559629569.db2.gz PQSOZZIQXLCSAL-NSHGMRRFSA-N 1 3 372.469 2.209 20 5 FEBDHO CC(C)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000527387235 562287428 /nfs/dbraw/zinc/28/74/28/562287428.db2.gz ZTYDUYPWVMNGDT-UHFFFAOYSA-N 1 3 350.463 2.284 20 5 FEBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000468635756 560934556 /nfs/dbraw/zinc/93/45/56/560934556.db2.gz STFNGBWQBIIXGY-JBXOJTMHSA-N 1 3 360.458 2.175 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000595011603 673185936 /nfs/dbraw/zinc/18/59/36/673185936.db2.gz IQFISPTWWJIWTM-AWEZNQCLSA-N 1 3 350.463 2.280 20 5 FEBDHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787017 543339412 /nfs/dbraw/zinc/33/94/12/543339412.db2.gz LOPWBJQUTLKVKB-QGZVFWFLSA-N 1 3 351.447 2.141 20 5 FEBDHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787017 543339415 /nfs/dbraw/zinc/33/94/15/543339415.db2.gz LOPWBJQUTLKVKB-QGZVFWFLSA-N 1 3 351.447 2.141 20 5 FEBDHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000521426647 562176021 /nfs/dbraw/zinc/17/60/21/562176021.db2.gz KWWJGUUESXQPPK-QGZVFWFLSA-N 1 3 351.447 2.045 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420320199 559480017 /nfs/dbraw/zinc/48/00/17/559480017.db2.gz YNNPPHZCWYBBIU-CYBMUJFWSA-N 1 3 350.419 2.006 20 5 FEBDHO COc1ccc(NC(=O)CCN2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000420321009 559480377 /nfs/dbraw/zinc/48/03/77/559480377.db2.gz VAXWQVSIUPINQX-CYBMUJFWSA-N 1 3 350.419 2.135 20 5 FEBDHO CCOC(=O)C1([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422950199 559612653 /nfs/dbraw/zinc/61/26/53/559612653.db2.gz XICPYPNTNGJPPM-CYBMUJFWSA-N 1 3 365.430 2.014 20 5 FEBDHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562572 560164657 /nfs/dbraw/zinc/16/46/57/560164657.db2.gz MIGMFZANJPNZBV-MAUKXSAKSA-N 1 3 360.458 2.149 20 5 FEBDHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593663 681412679 /nfs/dbraw/zinc/41/26/79/681412679.db2.gz YZTIRSQBGNTPRU-ROUUACIJSA-N 1 3 351.447 2.061 20 5 FEBDHO Cc1cc(F)cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000855346093 682659659 /nfs/dbraw/zinc/65/96/59/682659659.db2.gz ODKLBQODWQZLPP-ZDUSSCGKSA-N 1 3 354.426 2.044 20 5 FEBDHO Cc1cc(F)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000855346093 682659661 /nfs/dbraw/zinc/65/96/61/682659661.db2.gz ODKLBQODWQZLPP-ZDUSSCGKSA-N 1 3 354.426 2.044 20 5 FEBDHO CCc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000174151391 327309239 /nfs/dbraw/zinc/30/92/39/327309239.db2.gz XWUDQBBPRVOTLN-UHFFFAOYSA-N 1 3 374.485 2.446 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963292 556743129 /nfs/dbraw/zinc/74/31/29/556743129.db2.gz QGIRYRHXGJEYLU-FDPIWHGQSA-N 1 3 363.458 2.107 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963292 556743133 /nfs/dbraw/zinc/74/31/33/556743133.db2.gz QGIRYRHXGJEYLU-FDPIWHGQSA-N 1 3 363.458 2.107 20 5 FEBDHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597941492 673521758 /nfs/dbraw/zinc/52/17/58/673521758.db2.gz BCYNGVPVRMQGGV-LSDHHAIUSA-N 1 3 350.463 2.087 20 5 FEBDHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597941492 673521761 /nfs/dbraw/zinc/52/17/61/673521761.db2.gz BCYNGVPVRMQGGV-LSDHHAIUSA-N 1 3 350.463 2.087 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNCCC1(C)C ZINC000866700376 684136651 /nfs/dbraw/zinc/13/66/51/684136651.db2.gz VOBCPFFEMXOZCV-UHFFFAOYSA-N 1 3 350.419 2.006 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNCCC1(C)C ZINC000866700376 684136652 /nfs/dbraw/zinc/13/66/52/684136652.db2.gz VOBCPFFEMXOZCV-UHFFFAOYSA-N 1 3 350.419 2.006 20 5 FEBDHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903067327 690840726 /nfs/dbraw/zinc/84/07/26/690840726.db2.gz RICMJANXRCHJLN-OAHLLOKOSA-N 1 3 350.463 2.282 20 5 FEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857800 544129716 /nfs/dbraw/zinc/12/97/16/544129716.db2.gz BWPKEFIAFDRTAB-KRWDZBQOSA-N 1 3 363.462 2.475 20 5 FEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857800 544129717 /nfs/dbraw/zinc/12/97/17/544129717.db2.gz BWPKEFIAFDRTAB-KRWDZBQOSA-N 1 3 363.462 2.475 20 5 FEBDHO C[NH+]1CCC2(CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366864547 555954674 /nfs/dbraw/zinc/95/46/74/555954674.db2.gz KUGZQXAQJXOEFK-INIZCTEOSA-N 1 3 363.458 2.142 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766511 558415463 /nfs/dbraw/zinc/41/54/63/558415463.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766511 558415465 /nfs/dbraw/zinc/41/54/65/558415465.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 1 3 355.442 2.245 20 5 FEBDHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572903584 671058078 /nfs/dbraw/zinc/05/80/78/671058078.db2.gz WFSNUPGIESHQIV-MRXNPFEDSA-N 1 3 351.447 2.187 20 5 FEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596638347 673399920 /nfs/dbraw/zinc/39/99/20/673399920.db2.gz SRCMAKWHXCEYGH-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596638347 673399922 /nfs/dbraw/zinc/39/99/22/673399922.db2.gz SRCMAKWHXCEYGH-AWEZNQCLSA-N 1 3 351.451 2.297 20 5 FEBDHO COc1cc(CN[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048206 559202290 /nfs/dbraw/zinc/20/22/90/559202290.db2.gz WQOCHTOEBUCDPD-JQWIXIFHSA-N 1 3 359.373 2.464 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842463 326107139 /nfs/dbraw/zinc/10/71/39/326107139.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 1 3 364.446 2.206 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842463 326107140 /nfs/dbraw/zinc/10/71/40/326107140.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 1 3 364.446 2.206 20 5 FEBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261948670 549773041 /nfs/dbraw/zinc/77/30/41/549773041.db2.gz YRVANMXIWMXNQP-RVKKMQEKSA-N 1 3 360.458 2.236 20 5 FEBDHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000470020850 560972377 /nfs/dbraw/zinc/97/23/77/560972377.db2.gz MLLNNGARLYCQIB-CQSZACIVSA-N 1 3 372.425 2.142 20 5 FEBDHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866230879 684085018 /nfs/dbraw/zinc/08/50/18/684085018.db2.gz HDPLQSGNRXSARM-HNNXBMFYSA-N 1 3 352.454 2.282 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963293 556743087 /nfs/dbraw/zinc/74/30/87/556743087.db2.gz QGIRYRHXGJEYLU-GRGSLBFTSA-N 1 3 363.458 2.107 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963293 556743085 /nfs/dbraw/zinc/74/30/85/556743085.db2.gz QGIRYRHXGJEYLU-GRGSLBFTSA-N 1 3 363.458 2.107 20 5 FEBDHO CC[NH+]1CCC(N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258560 557122118 /nfs/dbraw/zinc/12/21/18/557122118.db2.gz BGPKQYAEAUOCEA-GOSISDBHSA-N 1 3 363.458 2.283 20 5 FEBDHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340261 559481983 /nfs/dbraw/zinc/48/19/83/559481983.db2.gz ZTVYTDKBQBPYDX-RVKKMQEKSA-N 1 3 358.442 2.022 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422626313 559598524 /nfs/dbraw/zinc/59/85/24/559598524.db2.gz DTFKPBHJMDBYTN-IHRRRGAJSA-N 1 3 364.446 2.237 20 5 FEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000449341900 560225903 /nfs/dbraw/zinc/22/59/03/560225903.db2.gz XHKRZCWZQHKCFI-MRXNPFEDSA-N 1 3 362.474 2.108 20 5 FEBDHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787013 543338985 /nfs/dbraw/zinc/33/89/85/543338985.db2.gz LOPWBJQUTLKVKB-KRWDZBQOSA-N 1 3 351.447 2.141 20 5 FEBDHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787013 543338987 /nfs/dbraw/zinc/33/89/87/543338987.db2.gz LOPWBJQUTLKVKB-KRWDZBQOSA-N 1 3 351.447 2.141 20 5 FEBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814530 550556685 /nfs/dbraw/zinc/55/66/85/550556685.db2.gz IPFGBPNXOPWOHO-APWZRJJASA-N 1 3 370.453 2.257 20 5 FEBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000274814530 550556686 /nfs/dbraw/zinc/55/66/86/550556686.db2.gz IPFGBPNXOPWOHO-APWZRJJASA-N 1 3 370.453 2.257 20 5 FEBDHO COc1ccc(NC(=O)CC[N@H+](C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000281202122 551073578 /nfs/dbraw/zinc/07/35/78/551073578.db2.gz COFVDBMDEGYXHY-UHFFFAOYSA-N 1 3 364.446 2.350 20 5 FEBDHO COc1ccc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000281202122 551073580 /nfs/dbraw/zinc/07/35/80/551073580.db2.gz COFVDBMDEGYXHY-UHFFFAOYSA-N 1 3 364.446 2.350 20 5 FEBDHO CN1CCN(CC2(C)CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000375232585 557995934 /nfs/dbraw/zinc/99/59/34/557995934.db2.gz CHCOCZKSQLINFG-UHFFFAOYSA-N 1 3 360.502 2.487 20 5 FEBDHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000846224225 681203913 /nfs/dbraw/zinc/20/39/13/681203913.db2.gz HTTWVBXPIVQUDD-SJCJKPOMSA-N 1 3 350.394 2.123 20 5 FEBDHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000047977367 540338247 /nfs/dbraw/zinc/33/82/47/540338247.db2.gz JQHNIKNBSFLOES-SFHVURJKSA-N 1 3 365.474 2.388 20 5 FEBDHO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000262196379 549797864 /nfs/dbraw/zinc/79/78/64/549797864.db2.gz ZIJKFBSUACHKQQ-OAHLLOKOSA-N 1 3 356.426 2.334 20 5 FEBDHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414195744 559152459 /nfs/dbraw/zinc/15/24/59/559152459.db2.gz OISOEBRETSCZFN-MRXNPFEDSA-N 1 3 362.474 2.042 20 5 FEBDHO Cc1c([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423470709 559629895 /nfs/dbraw/zinc/62/98/95/559629895.db2.gz ZGJGUBGYWLPYLK-CRFBAAHOSA-N 1 3 360.458 2.201 20 5 FEBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000468635754 560934542 /nfs/dbraw/zinc/93/45/42/560934542.db2.gz STFNGBWQBIIXGY-GSPCDJLXSA-N 1 3 360.458 2.175 20 5 FEBDHO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000597941915 673521738 /nfs/dbraw/zinc/52/17/38/673521738.db2.gz GUNLKNUBKNKFSN-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000597941915 673521740 /nfs/dbraw/zinc/52/17/40/673521740.db2.gz GUNLKNUBKNKFSN-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO COc1ccc(NC(=O)CC[N@@H+]2CCNCCC2(C)C)c([N+](=O)[O-])c1 ZINC000866698779 684136392 /nfs/dbraw/zinc/13/63/92/684136392.db2.gz DSPFJSFMBNLDDT-UHFFFAOYSA-N 1 3 350.419 2.006 20 5 FEBDHO COc1ccc(NC(=O)CC[N@H+]2CCNCCC2(C)C)c([N+](=O)[O-])c1 ZINC000866698779 684136394 /nfs/dbraw/zinc/13/63/94/684136394.db2.gz DSPFJSFMBNLDDT-UHFFFAOYSA-N 1 3 350.419 2.006 20 5 FEBDHO CN1CC[C@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707686 /nfs/dbraw/zinc/70/76/86/552707686.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 1 3 350.394 2.090 20 5 FEBDHO CN1CC[C@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707687 /nfs/dbraw/zinc/70/76/87/552707687.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 1 3 350.394 2.090 20 5 FEBDHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403129 559627914 /nfs/dbraw/zinc/62/79/14/559627914.db2.gz YUTORMSCKJDLCR-HUUCEWRRSA-N 1 3 360.380 2.472 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597941876 673521654 /nfs/dbraw/zinc/52/16/54/673521654.db2.gz FZGUHZFKTRAXMU-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597941876 673521657 /nfs/dbraw/zinc/52/16/57/673521657.db2.gz FZGUHZFKTRAXMU-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519200 561552728 /nfs/dbraw/zinc/55/27/28/561552728.db2.gz GIVODQFWDFMNCG-KRWDZBQOSA-N 1 3 362.474 2.012 20 5 FEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519200 561552729 /nfs/dbraw/zinc/55/27/29/561552729.db2.gz GIVODQFWDFMNCG-KRWDZBQOSA-N 1 3 362.474 2.012 20 5 FEBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000181556248 547335382 /nfs/dbraw/zinc/33/53/82/547335382.db2.gz NTZLWEPNKIBZSU-QGZVFWFLSA-N 1 3 363.458 2.142 20 5 FEBDHO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000262064154 549785270 /nfs/dbraw/zinc/78/52/70/549785270.db2.gz ATIUSKMEYPQHOG-KRWDZBQOSA-N 1 3 356.426 2.334 20 5 FEBDHO COCC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]CC1 ZINC000414969077 559197899 /nfs/dbraw/zinc/19/78/99/559197899.db2.gz GLZVZFQXHNIMGQ-UHFFFAOYSA-N 1 3 359.373 2.302 20 5 FEBDHO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611374246 676034586 /nfs/dbraw/zinc/03/45/86/676034586.db2.gz HRUFNRIBQVTHIZ-KRWDZBQOSA-N 1 3 350.438 2.334 20 5 FEBDHO CSc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597943348 673522059 /nfs/dbraw/zinc/52/20/59/673522059.db2.gz YVFOPSZKCZOWJF-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO CSc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597943348 673522063 /nfs/dbraw/zinc/52/20/63/673522063.db2.gz YVFOPSZKCZOWJF-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO CC(C)OCC[NH+]1CCC(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819128591 675263164 /nfs/dbraw/zinc/26/31/64/675263164.db2.gz OHMXAUPQRXQZAS-GOSISDBHSA-N 1 3 351.447 2.107 20 5 FEBDHO Cc1c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000050802423 540415577 /nfs/dbraw/zinc/41/55/77/540415577.db2.gz DRCRSMSAOCWXEQ-UHFFFAOYSA-N 1 3 360.458 2.192 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842459 326107608 /nfs/dbraw/zinc/10/76/08/326107608.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 1 3 364.446 2.206 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842459 326107611 /nfs/dbraw/zinc/10/76/11/326107611.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 1 3 364.446 2.206 20 5 FEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261947248 549773166 /nfs/dbraw/zinc/77/31/66/549773166.db2.gz YLSBWYKFDUQCFU-INMHGKMJSA-N 1 3 360.458 2.236 20 5 FEBDHO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000262163313 549794100 /nfs/dbraw/zinc/79/41/00/549794100.db2.gz SZQJNERYAVXCOA-KRWDZBQOSA-N 1 3 356.426 2.334 20 5 FEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460179 561762746 /nfs/dbraw/zinc/76/27/46/561762746.db2.gz XSVLUCGRRFMOTE-SFHVURJKSA-N 1 3 362.474 2.012 20 5 FEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460179 561762748 /nfs/dbraw/zinc/76/27/48/561762748.db2.gz XSVLUCGRRFMOTE-SFHVURJKSA-N 1 3 362.474 2.012 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345259 555295288 /nfs/dbraw/zinc/29/52/88/555295288.db2.gz UYCJBFPHVHGMHM-BRWVUGGUSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345259 555295291 /nfs/dbraw/zinc/29/52/91/555295291.db2.gz UYCJBFPHVHGMHM-BRWVUGGUSA-N 1 3 363.458 2.453 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422626314 559598538 /nfs/dbraw/zinc/59/85/38/559598538.db2.gz DTFKPBHJMDBYTN-MCIONIFRSA-N 1 3 364.446 2.237 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597943362 673522272 /nfs/dbraw/zinc/52/22/72/673522272.db2.gz ZHVYGJGMCVJTDY-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597943362 673522278 /nfs/dbraw/zinc/52/22/78/673522278.db2.gz ZHVYGJGMCVJTDY-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855346286 682659699 /nfs/dbraw/zinc/65/96/99/682659699.db2.gz VIZMQWBAZALYKF-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855346286 682659702 /nfs/dbraw/zinc/65/97/02/682659702.db2.gz VIZMQWBAZALYKF-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089581044 542764519 /nfs/dbraw/zinc/76/45/19/542764519.db2.gz BQAIAINRVYLVCO-MNEFBYGVSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089581044 542764522 /nfs/dbraw/zinc/76/45/22/542764522.db2.gz BQAIAINRVYLVCO-MNEFBYGVSA-N 1 3 363.458 2.453 20 5 FEBDHO CN(c1ccccc1CNCCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000151274873 544523723 /nfs/dbraw/zinc/52/37/23/544523723.db2.gz DTYSURLLPGJZPY-UHFFFAOYSA-N 1 3 372.473 2.112 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000361099219 554903982 /nfs/dbraw/zinc/90/39/82/554903982.db2.gz BQAIAINRVYLVCO-ATZDWAIDSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000361099219 554903985 /nfs/dbraw/zinc/90/39/85/554903985.db2.gz BQAIAINRVYLVCO-ATZDWAIDSA-N 1 3 363.458 2.453 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420317550 559480169 /nfs/dbraw/zinc/48/01/69/559480169.db2.gz VBRMXDPBLNSREI-CYBMUJFWSA-N 1 3 350.419 2.006 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862167248 683542509 /nfs/dbraw/zinc/54/25/09/683542509.db2.gz SINYYZGSGRWULH-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862167248 683542511 /nfs/dbraw/zinc/54/25/11/683542511.db2.gz SINYYZGSGRWULH-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000181556267 327735612 /nfs/dbraw/zinc/73/56/12/327735612.db2.gz NTZLWEPNKIBZSU-KRWDZBQOSA-N 1 3 363.458 2.142 20 5 FEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519201 561552770 /nfs/dbraw/zinc/55/27/70/561552770.db2.gz GIVODQFWDFMNCG-QGZVFWFLSA-N 1 3 362.474 2.012 20 5 FEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519201 561552771 /nfs/dbraw/zinc/55/27/71/561552771.db2.gz GIVODQFWDFMNCG-QGZVFWFLSA-N 1 3 362.474 2.012 20 5 FEBDHO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880286 562427122 /nfs/dbraw/zinc/42/71/22/562427122.db2.gz GPOPYMFKVUZQTO-AWEZNQCLSA-N 1 3 368.503 2.027 20 5 FEBDHO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362253542 554958405 /nfs/dbraw/zinc/95/84/05/554958405.db2.gz FGVWAXBDMDTYNG-KRWDZBQOSA-N 1 3 350.438 2.334 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345260 555295162 /nfs/dbraw/zinc/29/51/62/555295162.db2.gz UYCJBFPHVHGMHM-IKGGRYGDSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345260 555295164 /nfs/dbraw/zinc/29/51/64/555295164.db2.gz UYCJBFPHVHGMHM-IKGGRYGDSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345261 555295399 /nfs/dbraw/zinc/29/53/99/555295399.db2.gz UYCJBFPHVHGMHM-IXDOHACOSA-N 1 3 363.458 2.453 20 5 FEBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000364345261 555295400 /nfs/dbraw/zinc/29/54/00/555295400.db2.gz UYCJBFPHVHGMHM-IXDOHACOSA-N 1 3 363.458 2.453 20 5 FEBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420363239 559483232 /nfs/dbraw/zinc/48/32/32/559483232.db2.gz JCCPYRXTTVSLII-INIZCTEOSA-N 1 3 364.446 2.429 20 5 FEBDHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403127 559627952 /nfs/dbraw/zinc/62/79/52/559627952.db2.gz YUTORMSCKJDLCR-CABCVRRESA-N 1 3 360.380 2.472 20 5 FEBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000182866479 547563774 /nfs/dbraw/zinc/56/37/74/547563774.db2.gz KEQOULCPPMTTEF-HNNXBMFYSA-N 1 3 362.474 2.354 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430566463 559823079 /nfs/dbraw/zinc/82/30/79/559823079.db2.gz CMEKARPNPQJIOW-CQSZACIVSA-N 1 3 352.435 2.237 20 5 FEBDHO Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000530756668 562423034 /nfs/dbraw/zinc/42/30/34/562423034.db2.gz XKNCFFCITGTLDJ-HNNXBMFYSA-N 1 3 365.478 2.099 20 5 FEBDHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593660 681412591 /nfs/dbraw/zinc/41/25/91/681412591.db2.gz YZTIRSQBGNTPRU-QZTJIDSGSA-N 1 3 351.447 2.061 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277234361 550645995 /nfs/dbraw/zinc/64/59/95/550645995.db2.gz OZODQCVFINLVKD-AWEZNQCLSA-N 1 3 364.446 2.348 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277234361 550645997 /nfs/dbraw/zinc/64/59/97/550645997.db2.gz OZODQCVFINLVKD-AWEZNQCLSA-N 1 3 364.446 2.348 20 5 FEBDHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087416 561750997 /nfs/dbraw/zinc/75/09/97/561750997.db2.gz JBSMYJIOYSPHNC-CQSZACIVSA-N 1 3 368.503 2.453 20 5 FEBDHO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362253543 554958312 /nfs/dbraw/zinc/95/83/12/554958312.db2.gz FGVWAXBDMDTYNG-QGZVFWFLSA-N 1 3 350.438 2.334 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415552 /nfs/dbraw/zinc/41/55/52/558415552.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415556 /nfs/dbraw/zinc/41/55/56/558415556.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 1 3 355.442 2.245 20 5 FEBDHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423449586 559629374 /nfs/dbraw/zinc/62/93/74/559629374.db2.gz GJVHSVYFYWMELP-SCTDSRPQSA-N 1 3 360.458 2.282 20 5 FEBDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595007296 673185773 /nfs/dbraw/zinc/18/57/73/673185773.db2.gz MCDOGRDBGYIXBI-OAHLLOKOSA-N 1 3 350.463 2.282 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[N@@H+]1CCCN(C)CC1 ZINC000595013886 673186450 /nfs/dbraw/zinc/18/64/50/673186450.db2.gz UULYKDCNRVJJOE-OAHLLOKOSA-N 1 3 350.463 2.282 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[N@H+]1CCCN(C)CC1 ZINC000595013886 673186452 /nfs/dbraw/zinc/18/64/52/673186452.db2.gz UULYKDCNRVJJOE-OAHLLOKOSA-N 1 3 350.463 2.282 20 5 FEBDHO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824400755 675600136 /nfs/dbraw/zinc/60/01/36/675600136.db2.gz DGSIRHBYWYNFGZ-AWEZNQCLSA-N 1 3 350.463 2.213 20 5 FEBDHO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824400755 675600137 /nfs/dbraw/zinc/60/01/37/675600137.db2.gz DGSIRHBYWYNFGZ-AWEZNQCLSA-N 1 3 350.463 2.213 20 5 FEBDHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593666 681413206 /nfs/dbraw/zinc/41/32/06/681413206.db2.gz YZTIRSQBGNTPRU-ZWKOTPCHSA-N 1 3 351.447 2.061 20 5 FEBDHO CCOc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276965969 550616389 /nfs/dbraw/zinc/61/63/89/550616389.db2.gz WFWBQRQCZMFIQM-UHFFFAOYSA-N 1 3 364.490 2.451 20 5 FEBDHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414187244 559152225 /nfs/dbraw/zinc/15/22/25/559152225.db2.gz IFEPYRYKHQMHOG-MRXNPFEDSA-N 1 3 362.474 2.042 20 5 FEBDHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422631942 559598976 /nfs/dbraw/zinc/59/89/76/559598976.db2.gz GBVFUHIANPCIKW-MCIONIFRSA-N 1 3 364.446 2.237 20 5 FEBDHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403130 559628033 /nfs/dbraw/zinc/62/80/33/559628033.db2.gz YUTORMSCKJDLCR-LSDHHAIUSA-N 1 3 360.380 2.472 20 5 FEBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000530642049 562418772 /nfs/dbraw/zinc/41/87/72/562418772.db2.gz KACQGXRLNWFFRH-UHFFFAOYSA-N 1 3 364.471 2.375 20 5 FEBDHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000130547315 544155611 /nfs/dbraw/zinc/15/56/11/544155611.db2.gz QOKGFOOUWCSEAH-UHFFFAOYSA-N 1 3 374.485 2.202 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277234368 550646185 /nfs/dbraw/zinc/64/61/85/550646185.db2.gz OZODQCVFINLVKD-CQSZACIVSA-N 1 3 364.446 2.348 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277234368 550646186 /nfs/dbraw/zinc/64/61/86/550646186.db2.gz OZODQCVFINLVKD-CQSZACIVSA-N 1 3 364.446 2.348 20 5 FEBDHO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000374600050 557905252 /nfs/dbraw/zinc/90/52/52/557905252.db2.gz ABNSTEUYULFTHK-MRXNPFEDSA-N 1 3 362.474 2.074 20 5 FEBDHO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374600050 557905253 /nfs/dbraw/zinc/90/52/53/557905253.db2.gz ABNSTEUYULFTHK-MRXNPFEDSA-N 1 3 362.474 2.074 20 5 FEBDHO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374600050 557905254 /nfs/dbraw/zinc/90/52/54/557905254.db2.gz ABNSTEUYULFTHK-MRXNPFEDSA-N 1 3 362.474 2.074 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415419 /nfs/dbraw/zinc/41/54/19/558415419.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 1 3 355.442 2.245 20 5 FEBDHO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415422 /nfs/dbraw/zinc/41/54/22/558415422.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 1 3 355.442 2.245 20 5 FEBDHO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414768490 559186530 /nfs/dbraw/zinc/18/65/30/559186530.db2.gz LTIHIENEUXLKCX-IYBDPMFKSA-N 1 3 355.442 2.427 20 5 FEBDHO COc1ccc(NC(=O)CCN(C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420320200 559480003 /nfs/dbraw/zinc/48/00/03/559480003.db2.gz YNNPPHZCWYBBIU-ZDUSSCGKSA-N 1 3 350.419 2.006 20 5 FEBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422626315 559598571 /nfs/dbraw/zinc/59/85/71/559598571.db2.gz DTFKPBHJMDBYTN-MJBXVCDLSA-N 1 3 364.446 2.237 20 5 FEBDHO O=C1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000423458094 559629657 /nfs/dbraw/zinc/62/96/57/559629657.db2.gz PQSOZZIQXLCSAL-GGPKGHCWSA-N 1 3 372.469 2.209 20 5 FEBDHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000470002238 560971570 /nfs/dbraw/zinc/97/15/70/560971570.db2.gz FNABGUHCEMPHNX-OAHLLOKOSA-N 1 3 372.425 2.142 20 5 FEBDHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000470020849 560972351 /nfs/dbraw/zinc/97/23/51/560972351.db2.gz MLLNNGARLYCQIB-AWEZNQCLSA-N 1 3 372.425 2.142 20 5 FEBDHO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530396685 562409714 /nfs/dbraw/zinc/40/97/14/562409714.db2.gz GOXJBSOIXOBKHI-UHFFFAOYSA-N 1 3 351.451 2.169 20 5 FEBDHO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597943274 673521786 /nfs/dbraw/zinc/52/17/86/673521786.db2.gz WSWAGTBAZFPYHD-HNNXBMFYSA-N 1 3 350.463 2.213 20 5 FEBDHO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597943274 673521788 /nfs/dbraw/zinc/52/17/88/673521788.db2.gz WSWAGTBAZFPYHD-HNNXBMFYSA-N 1 3 350.463 2.213 20 5 FEBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855345560 682659981 /nfs/dbraw/zinc/65/99/81/682659981.db2.gz CZBPQHLBXQSELP-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855345560 682659984 /nfs/dbraw/zinc/65/99/84/682659984.db2.gz CZBPQHLBXQSELP-LBPRGKRZSA-N 1 3 356.854 2.250 20 5 FEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261947246 549772806 /nfs/dbraw/zinc/77/28/06/549772806.db2.gz YLSBWYKFDUQCFU-HLLBOEOZSA-N 1 3 360.458 2.236 20 5 FEBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261948666 549773058 /nfs/dbraw/zinc/77/30/58/549773058.db2.gz YRVANMXIWMXNQP-RKVPGOIHSA-N 1 3 360.458 2.236 20 5 FEBDHO COc1cc(CN[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048209 559202263 /nfs/dbraw/zinc/20/22/63/559202263.db2.gz WQOCHTOEBUCDPD-ZYHUDNBSSA-N 1 3 359.373 2.464 20 5 FEBDHO CC[NH+]1CCC(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000420624982 559494207 /nfs/dbraw/zinc/49/42/07/559494207.db2.gz JXODJRYGFHJEMF-UHFFFAOYSA-N 1 3 372.473 2.468 20 5 FEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877312 560754052 /nfs/dbraw/zinc/75/40/52/560754052.db2.gz CAOAVCDNOFPNDB-GOSISDBHSA-N 1 3 362.474 2.012 20 5 FEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877312 560754053 /nfs/dbraw/zinc/75/40/53/560754053.db2.gz CAOAVCDNOFPNDB-GOSISDBHSA-N 1 3 362.474 2.012 20 5 FEBDHO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824820395 675623373 /nfs/dbraw/zinc/62/33/73/675623373.db2.gz XXODYENAVPYIRQ-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824820395 675623375 /nfs/dbraw/zinc/62/33/75/675623375.db2.gz XXODYENAVPYIRQ-ZDUSSCGKSA-N 1 3 368.503 2.319 20 5 FEBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000182866458 327791684 /nfs/dbraw/zinc/79/16/84/327791684.db2.gz KEQOULCPPMTTEF-OAHLLOKOSA-N 1 3 362.474 2.354 20 5 FEBDHO CC(C)[C@H]([NH3+])CCN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430574334 559823313 /nfs/dbraw/zinc/82/33/13/559823313.db2.gz NWFKIORSUMZZFL-CQSZACIVSA-N 1 3 350.419 2.198 20 5 FEBDHO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCNCC1 ZINC000435613184 559926208 /nfs/dbraw/zinc/92/62/08/559926208.db2.gz JHFSKIRQIXURAZ-CQSZACIVSA-N 1 3 362.430 2.357 20 5 FEBDHO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCNCC1 ZINC000435613184 559926209 /nfs/dbraw/zinc/92/62/09/559926209.db2.gz JHFSKIRQIXURAZ-CQSZACIVSA-N 1 3 362.430 2.357 20 5 FEBDHO CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435613184 559926210 /nfs/dbraw/zinc/92/62/10/559926210.db2.gz JHFSKIRQIXURAZ-CQSZACIVSA-N 1 3 362.430 2.357 20 5 FEBDHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562573 560164570 /nfs/dbraw/zinc/16/45/70/560164570.db2.gz MIGMFZANJPNZBV-QAPCUYQASA-N 1 3 360.458 2.149 20 5 FEBDHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579823844 671762909 /nfs/dbraw/zinc/76/29/09/671762909.db2.gz IVJOAJUUXJSMQL-INIZCTEOSA-N 1 3 351.447 2.045 20 5 FEBDHO