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+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N1CCOCC1 ZINC000245592307 165110243 /nfs/dbraw/zinc/11/02/43/165110243.db2.gz PZHKJZIEORFKAU-DZGCQCFKSA-N 1 0 336.392 0.409 10 5 ECBERO CO[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000261610468 165215700 /nfs/dbraw/zinc/21/57/00/165215700.db2.gz AXTNSYMVMWTHPR-ZIAGYGMSSA-N 1 0 343.405 0.863 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000261658372 165223714 /nfs/dbraw/zinc/22/37/14/165223714.db2.gz FXYWGOXZJFPWJT-JTQLQIEISA-N 1 0 344.393 0.245 10 5 ECBERO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000262497861 165356239 /nfs/dbraw/zinc/35/62/39/165356239.db2.gz LQGARQNGSVHXPH-KOLCDFICSA-N 1 0 328.394 0.629 10 5 ECBERO C[N@@H+]1CCO[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@@H]21 ZINC000153153244 277124537 /nfs/dbraw/zinc/12/45/37/277124537.db2.gz NHYFHXUSQHVDDS-UONOGXRCSA-N 1 0 331.332 0.351 10 5 ECBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262119123 290190003 /nfs/dbraw/zinc/19/00/03/290190003.db2.gz FTFXNLUGEJWBLO-CWSCBRNRSA-N 1 0 325.390 0.772 10 5 ECBERO Cc1c(Br)c(NC[C@H]2C[NH2+]C[C@@H]2O)ncc1[N+](=O)[O-] ZINC000420237043 438395037 /nfs/dbraw/zinc/39/50/37/438395037.db2.gz GTOUHIKRPRFPSW-APPZFPTMSA-N 1 0 331.170 1.053 10 5 ECBERO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172502675 609773075 /nfs/dbraw/zinc/77/30/75/609773075.db2.gz XWUSZERYEUUQMU-LLVKDONJSA-N 1 0 330.344 0.928 10 5 ECBERO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N1CCOCC1 ZINC000132506638 205328648 /nfs/dbraw/zinc/32/86/48/205328648.db2.gz PZHKJZIEORFKAU-HIFRSBDPSA-N 1 0 336.392 0.409 10 5 ECBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000247218272 165155752 /nfs/dbraw/zinc/15/57/52/165155752.db2.gz QHSAWPVUMFWEQX-RYUDHWBXSA-N 1 0 336.392 0.581 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262089172 165289372 /nfs/dbraw/zinc/28/93/72/165289372.db2.gz CVGVFBRGRJNABR-QMTHXVAHSA-N 1 0 331.332 0.091 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262238770 165314338 /nfs/dbraw/zinc/31/43/38/165314338.db2.gz KTIOWEMQHRLBKR-OQPBUACISA-N 1 0 332.316 0.159 10 5 ECBERO CCOc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000262274501 165320305 /nfs/dbraw/zinc/32/03/05/165320305.db2.gz NHCHGZISGHTDTE-JOYOIKCWSA-N 1 0 339.348 0.312 10 5 ECBERO [NH3+]C[C@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262660625 165372107 /nfs/dbraw/zinc/37/21/07/165372107.db2.gz ZBSYMEBCUILYEU-LLVKDONJSA-N 1 0 334.332 0.270 10 5 ECBERO Cn1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263144001 165418839 /nfs/dbraw/zinc/41/88/39/165418839.db2.gz CNIBPZORBPLABV-WFASDCNBSA-N 1 0 331.376 0.665 10 5 ECBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000262302850 295234569 /nfs/dbraw/zinc/23/45/69/295234569.db2.gz OVEXLWGKNUXNOE-VIFPVBQESA-N 1 0 327.772 0.935 10 5 ECBERO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1CCOC ZINC000105791399 436578802 /nfs/dbraw/zinc/57/88/02/436578802.db2.gz WXJAKUUSEVHWTQ-NSHDSACASA-N 1 0 337.380 0.636 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262350270 436926547 /nfs/dbraw/zinc/92/65/47/436926547.db2.gz VDHNFBZYKXGDNL-GXSJLCMTSA-N 1 0 328.394 0.676 10 5 ECBERO C[N@@H+]1CCO[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@H]21 ZINC000301663275 437127949 /nfs/dbraw/zinc/12/79/49/437127949.db2.gz NHYFHXUSQHVDDS-KGLIPLIRSA-N 1 0 331.332 0.763 10 5 ECBERO [NH3+]C1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000261762910 165239818 /nfs/dbraw/zinc/23/98/18/165239818.db2.gz GAGLZEURBXTODC-NSHDSACASA-N 1 0 335.364 0.511 10 5 ECBERO [NH3+]CC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000262075242 165285529 /nfs/dbraw/zinc/28/55/29/165285529.db2.gz BYABKOIDEOVSAV-LBPRGKRZSA-N 1 0 349.391 0.758 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262290463 165323582 /nfs/dbraw/zinc/32/35/82/165323582.db2.gz OQSVDEHDWMNDQO-QMTHXVAHSA-N 1 0 331.332 0.091 10 5 ECBERO CC1(C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000262431038 278343253 /nfs/dbraw/zinc/34/32/53/278343253.db2.gz FXSRCJQBXYTLIM-LBPRGKRZSA-N 1 0 328.394 0.806 10 5 ECBERO NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261904707 295316907 /nfs/dbraw/zinc/31/69/07/295316907.db2.gz PHNASVLLTIHJIJ-ZMLRMANQSA-N 1 0 340.405 0.806 10 5 ECBERO CCOCC[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000174782500 437087119 /nfs/dbraw/zinc/08/71/19/437087119.db2.gz YLCRPIPAYIHMBT-ZFWWWQNUSA-N 1 0 341.412 0.195 10 5 ECBERO COc1cc(N(C)CC(=O)N2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000261803939 165245383 /nfs/dbraw/zinc/24/53/83/165245383.db2.gz FVDPIXNSGMAQIP-UHFFFAOYSA-N 1 0 326.328 0.611 10 5 ECBERO CCOc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000262274504 165320343 /nfs/dbraw/zinc/32/03/43/165320343.db2.gz NHCHGZISGHTDTE-SKDRFNHKSA-N 1 0 339.348 0.312 10 5 ECBERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262793691 165388950 /nfs/dbraw/zinc/38/89/50/165388950.db2.gz NWUIOXVPUOGOTA-ZYHUDNBSSA-N 1 0 348.359 0.577 10 5 ECBERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118857004 263146027 /nfs/dbraw/zinc/14/60/27/263146027.db2.gz WXWVDCGWJWVGCV-ZDUSSCGKSA-N 1 0 336.392 0.922 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261856378 273970063 /nfs/dbraw/zinc/97/00/63/273970063.db2.gz FGQGXZSVWJRWPF-SNVBAGLBSA-N 1 0 328.394 0.678 10 5 ECBERO CN1CCO[C@@H](C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000109133144 436623889 /nfs/dbraw/zinc/62/38/89/436623889.db2.gz PWZKQVMVZIQKPI-LSDHHAIUSA-N 1 0 334.376 0.620 10 5 ECBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247941363 436798293 /nfs/dbraw/zinc/79/82/93/436798293.db2.gz ABVCROSHFKNFAQ-DZGCQCFKSA-N 1 0 337.376 0.887 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000262350324 436926726 /nfs/dbraw/zinc/92/67/26/436926726.db2.gz VEKAZCQLCVSXJM-UWVGGRQHSA-N 1 0 328.394 0.676 10 5 ECBERO CC(C)[N@H+](C)CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130111172 528812675 /nfs/dbraw/zinc/81/26/75/528812675.db2.gz YANFZVIMKVZVCS-DZGCQCFKSA-N 1 0 325.365 0.446 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000174780871 207058520 /nfs/dbraw/zinc/05/85/20/207058520.db2.gz GXYSEXIERAFMEL-AWEZNQCLSA-N 1 0 347.379 0.155 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000262337522 165332544 /nfs/dbraw/zinc/33/25/44/165332544.db2.gz STPODEAXABUXGU-WRWORJQWSA-N 1 0 344.165 0.667 10 5 ECBERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000263238825 276932295 /nfs/dbraw/zinc/93/22/95/276932295.db2.gz OHQOAOXFHXSLKB-NSHDSACASA-N 1 0 347.331 0.992 10 5 ECBERO CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000174782588 437088062 /nfs/dbraw/zinc/08/80/62/437088062.db2.gz OXGVMOXOBLUBKK-HIFRSBDPSA-N 1 0 341.412 0.195 10 5 ECBERO O=c1c([N+](=O)[O-])c(NC[C@@H]2C[NH+]3CCN2CC3)nc2ccccn21 ZINC000301764720 437131809 /nfs/dbraw/zinc/13/18/09/437131809.db2.gz HOCGRVQKFGRFNK-LLVKDONJSA-N 1 0 330.348 0.014 10 5 ECBERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000183659747 437389407 /nfs/dbraw/zinc/38/94/07/437389407.db2.gz YAZMPRLQRAOPBX-OAHLLOKOSA-N 1 0 334.376 0.844 10 5 ECBERO Cc1c(Br)c(NC[C@@H]2C[NH2+]C[C@@H]2O)ncc1[N+](=O)[O-] ZINC000420237046 438395439 /nfs/dbraw/zinc/39/54/39/438395439.db2.gz GTOUHIKRPRFPSW-CBAPKCEASA-N 1 0 331.170 1.053 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116900586 201077105 /nfs/dbraw/zinc/07/71/05/201077105.db2.gz ROZDEPNZCKFNBS-AWEZNQCLSA-N 1 0 343.405 0.687 10 5 ECBERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000261727123 165233062 /nfs/dbraw/zinc/23/30/62/165233062.db2.gz LHDOWJNOUMRYDC-ZJUUUORDSA-N 1 0 340.405 0.985 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H](C[NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000262018055 165277105 /nfs/dbraw/zinc/27/71/05/165277105.db2.gz XHMCMRQMPHUJHF-SNVBAGLBSA-N 1 0 328.394 0.549 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262089047 165289363 /nfs/dbraw/zinc/28/93/63/165289363.db2.gz HWUJMQVMCBQFFU-VHSXEESVSA-N 1 0 328.394 0.676 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262144287 165298401 /nfs/dbraw/zinc/29/84/01/165298401.db2.gz HIURRDSYMSLLSJ-RDDDGLTNSA-N 1 0 333.266 0.924 10 5 ECBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000262554168 165362089 /nfs/dbraw/zinc/36/20/89/165362089.db2.gz SYZAJIPVLYJMOV-SECBINFHSA-N 1 0 327.772 0.935 10 5 ECBERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262779384 436941299 /nfs/dbraw/zinc/94/12/99/436941299.db2.gz YJOZZKPHVRUBGG-MRVPVSSYSA-N 1 0 331.350 0.382 10 5 ECBERO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171939395 436993114 /nfs/dbraw/zinc/99/31/14/436993114.db2.gz QRJPIBHCGHWSNN-SNVBAGLBSA-N 1 0 326.378 0.527 10 5 ECBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181535785 437325036 /nfs/dbraw/zinc/32/50/36/437325036.db2.gz QLGXGRXTKNLHRX-GXTWGEPZSA-N 1 0 337.376 0.887 10 5 ECBERO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1C[NH2+]CCCO1 ZINC000389825565 438427684 /nfs/dbraw/zinc/42/76/84/438427684.db2.gz SEVZMYQLIUHVLR-QMMMGPOBSA-N 1 0 331.170 0.965 10 5 ECBERO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000183397999 235048512 /nfs/dbraw/zinc/04/85/12/235048512.db2.gz PLRLGPCYKFFLEK-CYBMUJFWSA-N 1 0 334.376 0.796 10 5 ECBERO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N1CCOCC1 ZINC000132506870 205329472 /nfs/dbraw/zinc/32/94/72/205329472.db2.gz PZHKJZIEORFKAU-ZFWWWQNUSA-N 1 0 336.392 0.409 10 5 ECBERO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C[C@H](C)O ZINC000245574444 165109635 /nfs/dbraw/zinc/10/96/35/165109635.db2.gz DUYSZQIQGQRZHK-UONOGXRCSA-N 1 0 338.408 0.534 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262089041 165289261 /nfs/dbraw/zinc/28/92/61/165289261.db2.gz HWUJMQVMCBQFFU-UWVGGRQHSA-N 1 0 328.394 0.676 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262125679 165295844 /nfs/dbraw/zinc/29/58/44/165295844.db2.gz GBPIBMNJTOYFOP-IUODEOHRSA-N 1 0 334.376 0.505 10 5 ECBERO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1SC ZINC000262320135 165329232 /nfs/dbraw/zinc/32/92/32/165329232.db2.gz RESGOICJEJUVQV-KWQFWETISA-N 1 0 341.389 0.635 10 5 ECBERO C[C@@H]([NH3+])C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261959483 278305053 /nfs/dbraw/zinc/30/50/53/278305053.db2.gz OLAZCPRLBKXCTD-SECBINFHSA-N 1 0 328.394 0.806 10 5 ECBERO Cn1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263143997 436952931 /nfs/dbraw/zinc/95/29/31/436952931.db2.gz CNIBPZORBPLABV-DOMZBBRYSA-N 1 0 331.376 0.665 10 5 ECBERO C[NH+](C)C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000247102684 535969963 /nfs/dbraw/zinc/96/99/63/535969963.db2.gz IIZXBNDMAALVSP-ZBFHGGJFSA-N 1 0 339.392 0.597 10 5 ECBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000186917197 236063263 /nfs/dbraw/zinc/06/32/63/236063263.db2.gz KPCGKJPDBMZGTE-IACUBPJLSA-N 1 0 332.360 0.520 10 5 ECBERO C[NH2+]C1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000237077063 204358361 /nfs/dbraw/zinc/35/83/61/204358361.db2.gz CASUZMIZANWIST-LLVKDONJSA-N 1 0 334.376 0.924 10 5 ECBERO CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C[C@@H](C)O ZINC000131814125 205303954 /nfs/dbraw/zinc/30/39/54/205303954.db2.gz DUYSZQIQGQRZHK-KGLIPLIRSA-N 1 0 338.408 0.534 10 5 ECBERO Cc1cc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172032054 206781554 /nfs/dbraw/zinc/78/15/54/206781554.db2.gz PHKHXOLRDGLUQJ-GFCCVEGCSA-N 1 0 343.405 0.854 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262025580 165278209 /nfs/dbraw/zinc/27/82/09/165278209.db2.gz AWMAMRNTBNPDOC-HZMBPMFUSA-N 1 0 331.332 0.091 10 5 ECBERO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000262497863 165356307 /nfs/dbraw/zinc/35/63/07/165356307.db2.gz LQGARQNGSVHXPH-MWLCHTKSSA-N 1 0 328.394 0.629 10 5 ECBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000262554172 165361390 /nfs/dbraw/zinc/36/13/90/165361390.db2.gz SYZAJIPVLYJMOV-VIFPVBQESA-N 1 0 327.772 0.935 10 5 ECBERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000118856901 263146067 /nfs/dbraw/zinc/14/60/67/263146067.db2.gz KMFHDWAHHYVOEU-AWEZNQCLSA-N 1 0 336.392 0.582 10 5 ECBERO O=C(NC[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000138935751 436663471 /nfs/dbraw/zinc/66/34/71/436663471.db2.gz AAFFNBZDBKPIJG-LLVKDONJSA-N 1 0 343.767 0.671 10 5 ECBERO COc1ccc(C[N+](C)(CCCNC=O)CCCNC=O)cc1N ZINC000005159426 717099293 /nfs/dbraw/zinc/09/92/93/717099293.db2.gz KCKZSUCYNGROGA-UHFFFAOYSA-O 1 0 337.444 0.496 10 5 ECBERO Cc1cnn(C[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c1 ZINC000131866667 223279359 /nfs/dbraw/zinc/27/93/59/223279359.db2.gz VCBUYJBYGAVKDJ-HNNXBMFYSA-N 1 0 347.375 0.662 10 5 ECBERO Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000116901081 221009242 /nfs/dbraw/zinc/00/92/42/221009242.db2.gz CKAWOIOGXGXNTC-LBPRGKRZSA-N 1 0 343.405 0.854 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000153972560 164760101 /nfs/dbraw/zinc/76/01/01/164760101.db2.gz AFMIRVSRBJFEQU-AWEZNQCLSA-N 1 0 343.405 0.687 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000261658379 165223064 /nfs/dbraw/zinc/22/30/64/165223064.db2.gz FXYWGOXZJFPWJT-SNVBAGLBSA-N 1 0 344.393 0.245 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262089171 165289044 /nfs/dbraw/zinc/28/90/44/165289044.db2.gz CVGVFBRGRJNABR-IINYFYTJSA-N 1 0 331.332 0.091 10 5 ECBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262107055 165292386 /nfs/dbraw/zinc/29/23/86/165292386.db2.gz FDEBQNNKTRSJLH-HOTUBEGUSA-N 1 0 343.767 0.712 10 5 ECBERO C[NH+](C)C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000116793523 436652834 /nfs/dbraw/zinc/65/28/34/436652834.db2.gz OOBYGBDAPHOZMI-NSHDSACASA-N 1 0 333.348 0.874 10 5 ECBERO O=C(NC[C@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000138935622 436663453 /nfs/dbraw/zinc/66/34/53/436663453.db2.gz AAFFNBZDBKPIJG-NSHDSACASA-N 1 0 343.767 0.671 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152262845 436724785 /nfs/dbraw/zinc/72/47/85/436724785.db2.gz XXPQQAWTPLBQHT-DZGCQCFKSA-N 1 0 333.348 0.701 10 5 ECBERO COC[C@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000263250518 436957401 /nfs/dbraw/zinc/95/74/01/436957401.db2.gz ONJAHYMLNXDOQU-JTQLQIEISA-N 1 0 327.337 0.244 10 5 ECBERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182424920 437348380 /nfs/dbraw/zinc/34/83/80/437348380.db2.gz GTQLOFQUNIYSRH-SMDDNHRTSA-N 1 0 325.365 0.695 10 5 ECBERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000183661183 437388280 /nfs/dbraw/zinc/38/82/80/437388280.db2.gz CDGBGHQFMLXNGK-GXTWGEPZSA-N 1 0 325.365 0.695 10 5 ECBERO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247223817 608637159 /nfs/dbraw/zinc/63/71/59/608637159.db2.gz XWUSZERYEUUQMU-NSHDSACASA-N 1 0 330.344 0.928 10 5 ECBERO COc1c(F)cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193297697 240095659 /nfs/dbraw/zinc/09/56/59/240095659.db2.gz DHWBRQZHUBUSRW-QMMMGPOBSA-N 1 0 333.341 0.854 10 5 ECBERO COCC[NH2+]CCNS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000193361940 240130617 /nfs/dbraw/zinc/13/06/17/240130617.db2.gz ZMTQJNYNLWFNBY-UHFFFAOYSA-N 1 0 335.357 0.557 10 5 ECBERO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246183636 165124879 /nfs/dbraw/zinc/12/48/79/165124879.db2.gz QRJPIBHCGHWSNN-JTQLQIEISA-N 1 0 326.378 0.527 10 5 ECBERO [NH3+][C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000261667130 165225016 /nfs/dbraw/zinc/22/50/16/165225016.db2.gz GAZAZEQWIGRQFS-SWLSCSKDSA-N 1 0 349.391 0.757 10 5 ECBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000116787862 436651531 /nfs/dbraw/zinc/65/15/31/436651531.db2.gz RZVIYGCMKXJECB-CYBMUJFWSA-N 1 0 338.320 0.906 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000246677305 436782939 /nfs/dbraw/zinc/78/29/39/436782939.db2.gz GXYSEXIERAFMEL-CQSZACIVSA-N 1 0 347.379 0.155 10 5 ECBERO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247148036 436790056 /nfs/dbraw/zinc/79/00/56/436790056.db2.gz LJLNQARRTWNWAQ-OLZOCXBDSA-N 1 0 336.392 0.920 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262413387 436933035 /nfs/dbraw/zinc/93/30/35/436933035.db2.gz ZLSDLGJHIMOFKS-RISCZKNCSA-N 1 0 331.332 0.091 10 5 ECBERO CN(CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000173523152 437055500 /nfs/dbraw/zinc/05/55/00/437055500.db2.gz XYFDEERTOBTSSU-ZDUSSCGKSA-N 1 0 336.392 0.820 10 5 ECBERO CC[NH+](CC)CC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130171140 528089064 /nfs/dbraw/zinc/08/90/64/528089064.db2.gz DHKZZLKDTMBMJX-ZFWWWQNUSA-N 1 0 325.365 0.447 10 5 ECBERO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O ZINC000174616149 529362602 /nfs/dbraw/zinc/36/26/02/529362602.db2.gz ZTZYDOKSVDTLNN-CHWSQXEVSA-N 1 0 339.396 0.485 10 5 ECBERO CC[N+](CC)(CC)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000013212605 717106541 /nfs/dbraw/zinc/10/65/41/717106541.db2.gz ODJXVLHFQCMAAN-UHFFFAOYSA-N 1 0 338.432 0.226 10 5 ECBERO CO[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261604367 286060913 /nfs/dbraw/zinc/06/09/13/286060913.db2.gz ADIXAGGBCQMCAO-UWVGGRQHSA-N 1 0 347.368 0.861 10 5 ECBERO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C[C@H](C)O ZINC000248578281 165180976 /nfs/dbraw/zinc/18/09/76/165180976.db2.gz DYOUQKPWVDDLBM-QWRGUYRKSA-N 1 0 337.380 0.489 10 5 ECBERO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261996185 165274211 /nfs/dbraw/zinc/27/42/11/165274211.db2.gz NDUWWHJAXHBSDL-BZNIZROVSA-N 1 0 334.376 0.910 10 5 ECBERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262793685 165388878 /nfs/dbraw/zinc/38/88/78/165388878.db2.gz NWUIOXVPUOGOTA-CMPLNLGQSA-N 1 0 348.359 0.577 10 5 ECBERO NS(=O)(=O)c1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000272459533 436716388 /nfs/dbraw/zinc/71/63/88/436716388.db2.gz GYQAMHRARGIPJX-NSHDSACASA-N 1 0 340.405 0.917 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000246715468 436784343 /nfs/dbraw/zinc/78/43/43/436784343.db2.gz KYRIPUQTGKAUJT-UKRRQHHQSA-N 1 0 346.391 0.981 10 5 ECBERO C[C@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000176428948 437140791 /nfs/dbraw/zinc/14/07/91/437140791.db2.gz WILOQHJKHHONJP-PWSUYJOCSA-N 1 0 328.369 0.814 10 5 ECBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000105823155 545737612 /nfs/dbraw/zinc/73/76/12/545737612.db2.gz QHSAWPVUMFWEQX-NWDGAFQWSA-N 1 0 336.392 0.581 10 5 ECBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000174995838 529404906 /nfs/dbraw/zinc/40/49/06/529404906.db2.gz ZICZKWBQKBSXPA-CHWSQXEVSA-N 1 0 334.376 0.842 10 5 ECBERO CO[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000261610462 165214617 /nfs/dbraw/zinc/21/46/17/165214617.db2.gz AXTNSYMVMWTHPR-KGLIPLIRSA-N 1 0 343.405 0.863 10 5 ECBERO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262005565 165274481 /nfs/dbraw/zinc/27/44/81/165274481.db2.gz VTKPQLIZZZITJD-SNVBAGLBSA-N 1 0 328.394 0.914 10 5 ECBERO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2)cc1OC ZINC000262518562 165359351 /nfs/dbraw/zinc/35/93/51/165359351.db2.gz VKPZHFHNHPVEFH-SNVBAGLBSA-N 1 0 339.348 0.720 10 5 ECBERO [NH3+]C[C@H]1CCCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262555029 165361620 /nfs/dbraw/zinc/36/16/20/165361620.db2.gz WRAZOYFGANZBGR-GFCCVEGCSA-N 1 0 348.359 0.660 10 5 ECBERO NS(=O)(=O)c1cccc(N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000183763388 295289461 /nfs/dbraw/zinc/28/94/61/295289461.db2.gz LKEJLRYMELMYRT-SNVBAGLBSA-N 1 0 326.378 0.527 10 5 ECBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000090526821 436432624 /nfs/dbraw/zinc/43/26/24/436432624.db2.gz LJZZJVTWQTZGDM-UHFFFAOYSA-N 1 0 344.375 0.759 10 5 ECBERO O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246480772 436781524 /nfs/dbraw/zinc/78/15/24/436781524.db2.gz GMXUWGOVWDVNCU-GXTWGEPZSA-N 1 0 349.391 0.459 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000262350326 436926346 /nfs/dbraw/zinc/92/63/46/436926346.db2.gz VEKAZCQLCVSXJM-VHSXEESVSA-N 1 0 328.394 0.676 10 5 ECBERO O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986562 437071788 /nfs/dbraw/zinc/07/17/88/437071788.db2.gz RCHYSWMPUNPLNV-CYBMUJFWSA-N 1 0 334.376 0.940 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000184502491 437403028 /nfs/dbraw/zinc/40/30/28/437403028.db2.gz JYFOPYPQLJVQKA-ZDUSSCGKSA-N 1 0 343.405 0.687 10 5 ECBERO Cc1c(Br)c(NC[C@H]2C[NH2+]C[C@H]2O)ncc1[N+](=O)[O-] ZINC000420237050 438394592 /nfs/dbraw/zinc/39/45/92/438394592.db2.gz GTOUHIKRPRFPSW-VXNVDRBHSA-N 1 0 331.170 1.053 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261935802 165265694 /nfs/dbraw/zinc/26/56/94/165265694.db2.gz TZUQVKYEWGRJKK-ZMLRMANQSA-N 1 0 340.405 0.676 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262319660 165329526 /nfs/dbraw/zinc/32/95/26/165329526.db2.gz QTINGIJZPUOBQC-JTQLQIEISA-N 1 0 328.394 0.867 10 5 ECBERO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@H]1O ZINC000262338940 165332810 /nfs/dbraw/zinc/33/28/10/165332810.db2.gz SXBJHAOWKLCZJC-BXKDBHETSA-N 1 0 343.767 0.714 10 5 ECBERO C[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000261940233 436897906 /nfs/dbraw/zinc/89/79/06/436897906.db2.gz LCQGHRQOJBOWOB-JTQLQIEISA-N 1 0 328.394 0.643 10 5 ECBERO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000189298953 165007813 /nfs/dbraw/zinc/00/78/13/165007813.db2.gz SHNIBQFDEYSXQO-MNOVXSKESA-N 1 0 327.312 0.490 10 5 ECBERO C[NH2+]C[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261661021 165223182 /nfs/dbraw/zinc/22/31/82/165223182.db2.gz GEMVHTNNDJCQIT-LLVKDONJSA-N 1 0 342.421 0.891 10 5 ECBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000261688619 165227891 /nfs/dbraw/zinc/22/78/91/165227891.db2.gz NLAFEIJOCOVOKM-SNVBAGLBSA-N 1 0 332.364 0.762 10 5 ECBERO CC[NH+](CC)CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130170683 528088705 /nfs/dbraw/zinc/08/87/05/528088705.db2.gz DHKZZLKDTMBMJX-DZGCQCFKSA-N 1 0 325.365 0.447 10 5 ECBERO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000117303411 221049278 /nfs/dbraw/zinc/04/92/78/221049278.db2.gz LOHLGNPEYVECLX-ZDUSSCGKSA-N 1 0 339.396 0.751 10 5 ECBERO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000155257656 224386380 /nfs/dbraw/zinc/38/63/80/224386380.db2.gz WSXHVJTVYQJCOA-OAHLLOKOSA-N 1 0 348.403 0.746 10 5 ECBERO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195319885 165079597 /nfs/dbraw/zinc/07/95/97/165079597.db2.gz WFNDGSDPTKEGCX-AWEZNQCLSA-N 1 0 332.360 0.631 10 5 ECBERO [NH3+][C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000261667126 165223041 /nfs/dbraw/zinc/22/30/41/165223041.db2.gz GAZAZEQWIGRQFS-DOMZBBRYSA-N 1 0 349.391 0.757 10 5 ECBERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000261727117 165233961 /nfs/dbraw/zinc/23/39/61/165233961.db2.gz LHDOWJNOUMRYDC-NXEZZACHSA-N 1 0 340.405 0.985 10 5 ECBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000261749793 165238318 /nfs/dbraw/zinc/23/83/18/165238318.db2.gz UOZJBBWCVKEYFC-SECBINFHSA-N 1 0 334.336 0.422 10 5 ECBERO CCn1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000261843685 165252380 /nfs/dbraw/zinc/25/23/80/165252380.db2.gz QUEXFAPZMKFFJB-SNVBAGLBSA-N 1 0 331.398 0.559 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262025589 165278282 /nfs/dbraw/zinc/27/82/82/165278282.db2.gz AWMAMRNTBNPDOC-QMTHXVAHSA-N 1 0 331.332 0.091 10 5 ECBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262107050 165292248 /nfs/dbraw/zinc/29/22/48/165292248.db2.gz FDEBQNNKTRSJLH-AUTRQRHGSA-N 1 0 343.767 0.712 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262290464 165323690 /nfs/dbraw/zinc/32/36/90/165323690.db2.gz OQSVDEHDWMNDQO-YGRLFVJLSA-N 1 0 331.332 0.091 10 5 ECBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000160224829 225365428 /nfs/dbraw/zinc/36/54/28/225365428.db2.gz TURGBJUHHZFFNT-ZDUSSCGKSA-N 1 0 337.376 0.937 10 5 ECBERO C[NH+](C)C[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000108951975 276807179 /nfs/dbraw/zinc/80/71/79/276807179.db2.gz IQZTYEMMZOKOMD-JTQLQIEISA-N 1 0 333.348 0.598 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261832608 277037379 /nfs/dbraw/zinc/03/73/79/277037379.db2.gz IEMMATOXJOWIMK-JQWIXIFHSA-N 1 0 340.405 0.691 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261816079 277291346 /nfs/dbraw/zinc/29/13/46/277291346.db2.gz AEXWTFSFIQICNJ-CYBMUJFWSA-N 1 0 328.394 0.678 10 5 ECBERO Cn1cc(CN2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000176233320 437134656 /nfs/dbraw/zinc/13/46/56/437134656.db2.gz RWKWDGZNWQZJMJ-UHFFFAOYSA-N 1 0 333.396 0.733 10 5 ECBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[NH2+]CCC2)c([N+](=O)[O-])c1 ZINC000584656908 439606078 /nfs/dbraw/zinc/60/60/78/439606078.db2.gz HAJBHAAQHSCHFJ-UHFFFAOYSA-N 1 0 344.349 0.877 10 5 ECBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174334807 231180855 /nfs/dbraw/zinc/18/08/55/231180855.db2.gz PDEPZCQQAYKSKF-QWHCGFSZSA-N 1 0 336.392 0.920 10 5 ECBERO C[NH+](C)C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182240363 234516314 /nfs/dbraw/zinc/51/63/14/234516314.db2.gz MECJCEXBECKJQO-KBPBESRZSA-N 1 0 339.392 0.597 10 5 ECBERO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000155259452 224385823 /nfs/dbraw/zinc/38/58/23/224385823.db2.gz JGQKGBLABDXKSQ-OAHLLOKOSA-N 1 0 348.403 0.746 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262319661 165329557 /nfs/dbraw/zinc/32/95/57/165329557.db2.gz QTINGIJZPUOBQC-SNVBAGLBSA-N 1 0 328.394 0.867 10 5 ECBERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262579059 165364673 /nfs/dbraw/zinc/36/46/73/165364673.db2.gz LDQOELFKNFFORM-JQWIXIFHSA-N 1 0 348.359 0.564 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC[C@H](C[NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000261690169 273967096 /nfs/dbraw/zinc/96/70/96/273967096.db2.gz IXRNVLBCQWKKPG-LLVKDONJSA-N 1 0 342.421 0.939 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000116900365 289202882 /nfs/dbraw/zinc/20/28/82/289202882.db2.gz MJXMKYATTLOIPE-LLVKDONJSA-N 1 0 329.378 0.546 10 5 ECBERO CC[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000174782596 437087317 /nfs/dbraw/zinc/08/73/17/437087317.db2.gz OXGVMOXOBLUBKK-ZFWWWQNUSA-N 1 0 341.412 0.195 10 5 ECBERO C[N@@H+]1CCO[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@H]21 ZINC000301663276 437128234 /nfs/dbraw/zinc/12/82/34/437128234.db2.gz NHYFHXUSQHVDDS-ZIAGYGMSSA-N 1 0 331.332 0.763 10 5 ECBERO [NH3+]CC(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037629624 213161452 /nfs/dbraw/zinc/16/14/52/213161452.db2.gz JOZLILFLUQTIGA-UHFFFAOYSA-N 1 0 331.126 0.371 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262350271 436926167 /nfs/dbraw/zinc/92/61/67/436926167.db2.gz VDHNFBZYKXGDNL-KOLCDFICSA-N 1 0 328.394 0.676 10 5 ECBERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000183644733 437389094 /nfs/dbraw/zinc/38/90/94/437389094.db2.gz JMFMKBCQKSABEL-OAHLLOKOSA-N 1 0 334.376 0.844 10 5 ECBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000091399994 218001121 /nfs/dbraw/zinc/00/11/21/218001121.db2.gz HCNIBXOPWOSQLY-SNVBAGLBSA-N 1 0 339.377 0.790 10 5 ECBERO CC[N@H+](CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000092518491 218146440 /nfs/dbraw/zinc/14/64/40/218146440.db2.gz KHASMDMIGBPXBI-GDBMZVCRSA-N 1 0 337.376 0.590 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000116900534 221009485 /nfs/dbraw/zinc/00/94/85/221009485.db2.gz SWENCRAXEMCMKE-VIFPVBQESA-N 1 0 335.407 0.607 10 5 ECBERO C[NH2+][C@H](C)CNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000261775288 165241982 /nfs/dbraw/zinc/24/19/82/165241982.db2.gz PPAFGXKAKHRYOF-SNVBAGLBSA-N 1 0 341.364 0.966 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262238776 165314480 /nfs/dbraw/zinc/31/44/80/165314480.db2.gz KTIOWEMQHRLBKR-SDBXPKJASA-N 1 0 332.316 0.159 10 5 ECBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000116791187 436651670 /nfs/dbraw/zinc/65/16/70/436651670.db2.gz PJTXHRQFNQXGMW-JTQLQIEISA-N 1 0 326.328 0.719 10 5 ECBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000140555337 304804484 /nfs/dbraw/zinc/80/44/84/304804484.db2.gz AMSKRZMNGXQTCJ-CYBMUJFWSA-N 1 0 343.405 0.720 10 5 ECBERO C[NH+](C)C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000155259550 224386347 /nfs/dbraw/zinc/38/63/47/224386347.db2.gz JGQKGBLABDXKSQ-HNNXBMFYSA-N 1 0 348.403 0.746 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246780395 165142848 /nfs/dbraw/zinc/14/28/48/165142848.db2.gz SJLUGINGFRCISW-OCCSQVGLSA-N 1 0 335.368 0.156 10 5 ECBERO COC[C@@]1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261823247 165247846 /nfs/dbraw/zinc/24/78/46/165247846.db2.gz HKOZWGPKXPSPHD-ZDUSSCGKSA-N 1 0 344.393 0.423 10 5 ECBERO C[NH2+][C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000262318638 165329540 /nfs/dbraw/zinc/32/95/40/165329540.db2.gz QTGFPXOFAKSLED-JTQLQIEISA-N 1 0 328.394 0.643 10 5 ECBERO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262357908 165336862 /nfs/dbraw/zinc/33/68/62/165336862.db2.gz UYMMCCQXWPJZMG-SKDRFNHKSA-N 1 0 339.348 0.312 10 5 ECBERO C[N@@H+]1CCO[C@@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000153186393 277125219 /nfs/dbraw/zinc/12/52/19/277125219.db2.gz VBFBPAKMIQPOKS-WDEREUQCSA-N 1 0 331.332 0.122 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000246715447 436783860 /nfs/dbraw/zinc/78/38/60/436783860.db2.gz KYRIPUQTGKAUJT-DZGCQCFKSA-N 1 0 346.391 0.981 10 5 ECBERO CC[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000246747139 436786294 /nfs/dbraw/zinc/78/62/94/436786294.db2.gz OXGVMOXOBLUBKK-DZGCQCFKSA-N 1 0 341.412 0.195 10 5 ECBERO O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986550 437070065 /nfs/dbraw/zinc/07/00/65/437070065.db2.gz RCHYSWMPUNPLNV-ZDUSSCGKSA-N 1 0 334.376 0.940 10 5 ECBERO CC[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174732887 437086772 /nfs/dbraw/zinc/08/67/72/437086772.db2.gz UBPJKAHXFIKLHM-DGCLKSJQSA-N 1 0 336.392 0.975 10 5 ECBERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022177 437139983 /nfs/dbraw/zinc/13/99/83/437139983.db2.gz FXOJTFJNEFWUDZ-HNNXBMFYSA-N 1 0 348.403 0.830 10 5 ECBERO Cc1cnn(C[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c1 ZINC000131866917 223279212 /nfs/dbraw/zinc/27/92/12/223279212.db2.gz VCBUYJBYGAVKDJ-OAHLLOKOSA-N 1 0 347.375 0.662 10 5 ECBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116901032 221009214 /nfs/dbraw/zinc/00/92/14/221009214.db2.gz PXAXNFKVTHUPPF-CYBMUJFWSA-N 1 0 343.405 0.854 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262125690 165296324 /nfs/dbraw/zinc/29/63/24/165296324.db2.gz GBPIBMNJTOYFOP-SWLSCSKDSA-N 1 0 334.376 0.505 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000153972453 436767179 /nfs/dbraw/zinc/76/71/79/436767179.db2.gz AFMIRVSRBJFEQU-CQSZACIVSA-N 1 0 343.405 0.687 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116900908 221009637 /nfs/dbraw/zinc/00/96/37/221009637.db2.gz NVXLASHVKZNSBJ-LBPRGKRZSA-N 1 0 329.378 0.546 10 5 ECBERO Cn1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262080214 165287276 /nfs/dbraw/zinc/28/72/76/165287276.db2.gz CIGWSKYVXPMKDR-FZMZJTMJSA-N 1 0 345.359 0.305 10 5 ECBERO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1SC ZINC000262320125 165329201 /nfs/dbraw/zinc/32/92/01/165329201.db2.gz RESGOICJEJUVQV-GZMMTYOYSA-N 1 0 341.389 0.635 10 5 ECBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160372368 225397740 /nfs/dbraw/zinc/39/77/40/225397740.db2.gz BKTPATYUBZTBRB-CYBMUJFWSA-N 1 0 336.392 0.970 10 5 ECBERO CC1(C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000262431036 281267700 /nfs/dbraw/zinc/26/77/00/281267700.db2.gz FXSRCJQBXYTLIM-GFCCVEGCSA-N 1 0 328.394 0.806 10 5 ECBERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262769204 436941269 /nfs/dbraw/zinc/94/12/69/436941269.db2.gz VBHAUGAHEKIYCR-VIFPVBQESA-N 1 0 343.361 0.478 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000174765893 231304184 /nfs/dbraw/zinc/30/41/84/231304184.db2.gz KYRIPUQTGKAUJT-ZFWWWQNUSA-N 1 0 346.391 0.981 10 5 ECBERO CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C[C@H](C)O ZINC000245574440 165109432 /nfs/dbraw/zinc/10/94/32/165109432.db2.gz DUYSZQIQGQRZHK-KBPBESRZSA-N 1 0 338.408 0.534 10 5 ECBERO C[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000262497865 165355953 /nfs/dbraw/zinc/35/59/53/165355953.db2.gz LQGARQNGSVHXPH-ONGXEEELSA-N 1 0 328.394 0.629 10 5 ECBERO Cn1cc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+](C)C)cn1 ZINC000301295858 296885059 /nfs/dbraw/zinc/88/50/59/296885059.db2.gz RTBREPNFTILQMJ-GFCCVEGCSA-N 1 0 333.352 0.537 10 5 ECBERO C[NH+](C)C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000108951973 273799483 /nfs/dbraw/zinc/79/94/83/273799483.db2.gz IQZTYEMMZOKOMD-SNVBAGLBSA-N 1 0 333.348 0.598 10 5 ECBERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261820406 277298691 /nfs/dbraw/zinc/29/86/91/277298691.db2.gz UHDNGYCCGIUEAW-MRVPVSSYSA-N 1 0 331.350 0.252 10 5 ECBERO NS(=O)(=O)c1ccc(NCC2([NH3+])CCOCC2)c([N+](=O)[O-])c1 ZINC000116884178 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Cc1nn(CCc2nc([C@@H]3C[NH2+]CCN3C)no2)c(C)c1[N+](=O)[O-] ZINC000263260573 436959093 /nfs/dbraw/zinc/95/90/93/436959093.db2.gz QWEVZNKZNIRSBQ-NSHDSACASA-N 1 0 335.368 0.610 10 5 ECBERO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000185823721 304806813 /nfs/dbraw/zinc/80/68/13/304806813.db2.gz VLGHRKMOPCZSHB-ZDUSSCGKSA-N 1 0 343.405 0.720 10 5 ECBERO CN1CCO[C@H](C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000109133142 219950682 /nfs/dbraw/zinc/95/06/82/219950682.db2.gz PWZKQVMVZIQKPI-HUUCEWRRSA-N 1 0 334.376 0.620 10 5 ECBERO C[NH+](C)C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000247102669 243373239 /nfs/dbraw/zinc/37/32/39/243373239.db2.gz IIZXBNDMAALVSP-GDBMZVCRSA-N 1 0 339.392 0.597 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000262322317 165328427 /nfs/dbraw/zinc/32/84/27/165328427.db2.gz RFFAASCSSMJHNT-LLVKDONJSA-N 1 0 328.394 0.994 10 5 ECBERO C[NH+](C)C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000105904399 436585929 /nfs/dbraw/zinc/58/59/29/436585929.db2.gz IIZXBNDMAALVSP-HOCLYGCPSA-N 1 0 339.392 0.597 10 5 ECBERO CC[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246258221 436775373 /nfs/dbraw/zinc/77/53/73/436775373.db2.gz UBPJKAHXFIKLHM-WCQYABFASA-N 1 0 336.392 0.975 10 5 ECBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000160474258 436873571 /nfs/dbraw/zinc/87/35/71/436873571.db2.gz YCDHXMDNIKURKR-CYBMUJFWSA-N 1 0 336.392 0.993 10 5 ECBERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000263238804 436957318 /nfs/dbraw/zinc/95/73/18/436957318.db2.gz OHQOAOXFHXSLKB-LLVKDONJSA-N 1 0 347.331 0.992 10 5 ECBERO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301184688 437116036 /nfs/dbraw/zinc/11/60/36/437116036.db2.gz JIWVOIFXEMDCGA-LBPRGKRZSA-N 1 0 346.391 0.651 10 5 ECBERO CC[NH+](CC)CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130170917 528090446 /nfs/dbraw/zinc/09/04/46/528090446.db2.gz DHKZZLKDTMBMJX-UKRRQHHQSA-N 1 0 325.365 0.447 10 5 ECBERO Cn1cc(CN2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174850317 231324256 /nfs/dbraw/zinc/32/42/56/231324256.db2.gz HXKVLKKRXCVGIW-UHFFFAOYSA-N 1 0 333.396 0.733 10 5 ECBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900304 221009424 /nfs/dbraw/zinc/00/94/24/221009424.db2.gz KCGCMKTWBBVQPL-ZDUSSCGKSA-N 1 0 343.405 0.854 10 5 ECBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261656684 165224126 /nfs/dbraw/zinc/22/41/26/165224126.db2.gz FXIYJLKRAARQKH-WOPDTQHZSA-N 1 0 334.376 0.909 10 5 ECBERO CCn1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000261843683 165251395 /nfs/dbraw/zinc/25/13/95/165251395.db2.gz QUEXFAPZMKFFJB-JTQLQIEISA-N 1 0 331.398 0.559 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261935787 277291375 /nfs/dbraw/zinc/29/13/75/277291375.db2.gz TZUQVKYEWGRJKK-DLOVCJGASA-N 1 0 340.405 0.676 10 5 ECBERO NS(=O)(=O)c1cccc(N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000248426636 295289306 /nfs/dbraw/zinc/28/93/06/295289306.db2.gz LKEJLRYMELMYRT-JTQLQIEISA-N 1 0 326.378 0.527 10 5 ECBERO CN1CCO[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152767993 436740059 /nfs/dbraw/zinc/74/00/59/436740059.db2.gz YYVVXYLYXQWHGP-CYBMUJFWSA-N 1 0 329.378 0.345 10 5 ECBERO O=C(CNc1c(Br)cncc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000232478377 586414630 /nfs/dbraw/zinc/41/46/30/586414630.db2.gz LTYSVMZWRODPKE-UHFFFAOYSA-N 1 0 344.169 0.596 10 5 ECBERO Cc1nn(C)c(C)c1CN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000152664791 609871744 /nfs/dbraw/zinc/87/17/44/609871744.db2.gz XRKJVMXHRJQRQG-UHFFFAOYSA-N 1 0 333.396 0.917 10 5 ECBERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000261727121 165233226 /nfs/dbraw/zinc/23/32/26/165233226.db2.gz LHDOWJNOUMRYDC-VHSXEESVSA-N 1 0 340.405 0.985 10 5 ECBERO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262357906 165336286 /nfs/dbraw/zinc/33/62/86/165336286.db2.gz UYMMCCQXWPJZMG-JOYOIKCWSA-N 1 0 339.348 0.312 10 5 ECBERO C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262561254 290591590 /nfs/dbraw/zinc/59/15/90/290591590.db2.gz VMVVIKQXXAOXBN-VHSXEESVSA-N 1 0 328.394 0.806 10 5 ECBERO C[NH+](C)C[C@@H]1CN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000152973215 609889143 /nfs/dbraw/zinc/88/91/43/609889143.db2.gz RQLLLBFMWWMLMF-GFCCVEGCSA-N 1 0 336.348 0.723 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000116900681 221009175 /nfs/dbraw/zinc/00/91/75/221009175.db2.gz KHNGHJFKIWGWIQ-LLVKDONJSA-N 1 0 347.368 0.685 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262089173 165288975 /nfs/dbraw/zinc/28/89/75/165288975.db2.gz CVGVFBRGRJNABR-YGRLFVJLSA-N 1 0 331.332 0.091 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262089170 165289000 /nfs/dbraw/zinc/28/90/00/165289000.db2.gz CVGVFBRGRJNABR-HZMBPMFUSA-N 1 0 331.332 0.091 10 5 ECBERO COC[C@@]1(CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262312856 165327785 /nfs/dbraw/zinc/32/77/85/165327785.db2.gz PIAIXONVEHBWDA-AWEZNQCLSA-N 1 0 343.405 0.950 10 5 ECBERO CNS(=O)(=O)c1ccc(NCC[NH2+]CCOC)c([N+](=O)[O-])c1 ZINC000262367024 165338377 /nfs/dbraw/zinc/33/83/77/165338377.db2.gz XDACGESPLBEWCY-UHFFFAOYSA-N 1 0 332.382 0.151 10 5 ECBERO CC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248374029 436802544 /nfs/dbraw/zinc/80/25/44/436802544.db2.gz NLEZJMJSYDFJGA-UONOGXRCSA-N 1 0 337.376 0.935 10 5 ECBERO NC(=O)c1ccc(CN2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000173991927 437071444 /nfs/dbraw/zinc/07/14/44/437071444.db2.gz GZZLPIARBFDBSK-AWEZNQCLSA-N 1 0 334.376 0.600 10 5 ECBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261656678 165223706 /nfs/dbraw/zinc/22/37/06/165223706.db2.gz FXIYJLKRAARQKH-GRYCIOLGSA-N 1 0 334.376 0.909 10 5 ECBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261656682 165223890 /nfs/dbraw/zinc/22/38/90/165223890.db2.gz FXIYJLKRAARQKH-SRVKXCTJSA-N 1 0 334.376 0.909 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000261819781 165247310 /nfs/dbraw/zinc/24/73/10/165247310.db2.gz AOHOTBCUSRHNBZ-NXEZZACHSA-N 1 0 328.394 0.690 10 5 ECBERO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1SC ZINC000262320132 165329612 /nfs/dbraw/zinc/32/96/12/165329612.db2.gz RESGOICJEJUVQV-KCJUWKMLSA-N 1 0 341.389 0.635 10 5 ECBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000090549362 436432426 /nfs/dbraw/zinc/43/24/26/436432426.db2.gz NQEPEOVHDCQYJP-CYBMUJFWSA-N 1 0 332.364 0.760 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262350272 436925910 /nfs/dbraw/zinc/92/59/10/436925910.db2.gz VDHNFBZYKXGDNL-MWLCHTKSSA-N 1 0 328.394 0.676 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261832614 436890240 /nfs/dbraw/zinc/89/02/40/436890240.db2.gz IEMMATOXJOWIMK-PWSUYJOCSA-N 1 0 340.405 0.691 10 5 ECBERO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)C1 ZINC000301246586 437117693 /nfs/dbraw/zinc/11/76/93/437117693.db2.gz AUXBNEGXBHGBPJ-AWEZNQCLSA-N 1 0 347.419 0.910 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261816089 165247319 /nfs/dbraw/zinc/24/73/19/165247319.db2.gz AEXWTFSFIQICNJ-ZDUSSCGKSA-N 1 0 328.394 0.678 10 5 ECBERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000261831754 165249284 /nfs/dbraw/zinc/24/92/84/165249284.db2.gz QBPOOYHUMRBOFI-UHTWSYAYSA-N 1 0 335.364 0.509 10 5 ECBERO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262005564 165275136 /nfs/dbraw/zinc/27/51/36/165275136.db2.gz VTKPQLIZZZITJD-JTQLQIEISA-N 1 0 328.394 0.914 10 5 ECBERO Cn1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262080215 165287530 /nfs/dbraw/zinc/28/75/30/165287530.db2.gz CIGWSKYVXPMKDR-RISCZKNCSA-N 1 0 345.359 0.305 10 5 ECBERO CCOc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000262274497 165320744 /nfs/dbraw/zinc/32/07/44/165320744.db2.gz NHCHGZISGHTDTE-BXKDBHETSA-N 1 0 339.348 0.312 10 5 ECBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796794 279109700 /nfs/dbraw/zinc/10/97/00/279109700.db2.gz IJCFWWLZPJQYGE-GFCCVEGCSA-N 1 0 325.369 0.279 10 5 ECBERO C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262560955 290591517 /nfs/dbraw/zinc/59/15/17/290591517.db2.gz VMVVIKQXXAOXBN-UWVGGRQHSA-N 1 0 328.394 0.806 10 5 ECBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900609 302044496 /nfs/dbraw/zinc/04/44/96/302044496.db2.gz BCUCPYMAWWHJCJ-LBPRGKRZSA-N 1 0 343.405 0.854 10 5 ECBERO O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246480805 436781791 /nfs/dbraw/zinc/78/17/91/436781791.db2.gz GMXUWGOVWDVNCU-TZMCWYRMSA-N 1 0 349.391 0.459 10 5 ECBERO NS(=O)(=O)c1ccc(N2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261904701 165260636 /nfs/dbraw/zinc/26/06/36/165260636.db2.gz PHNASVLLTIHJIJ-YUSALJHKSA-N 1 0 340.405 0.806 10 5 ECBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261996188 165274874 /nfs/dbraw/zinc/27/48/74/165274874.db2.gz NDUWWHJAXHBSDL-ZBEGNZNMSA-N 1 0 334.376 0.910 10 5 ECBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262119127 165294492 /nfs/dbraw/zinc/29/44/92/165294492.db2.gz FTFXNLUGEJWBLO-KWBADKCTSA-N 1 0 325.390 0.772 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262238763 165314627 /nfs/dbraw/zinc/31/46/27/165314627.db2.gz KTIOWEMQHRLBKR-ISVAXAHUSA-N 1 0 332.316 0.159 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262359298 165336329 /nfs/dbraw/zinc/33/63/29/165336329.db2.gz VBJHDNUFIYEKSY-QMTHXVAHSA-N 1 0 331.332 0.091 10 5 ECBERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262793689 165388676 /nfs/dbraw/zinc/38/86/76/165388676.db2.gz NWUIOXVPUOGOTA-PWSUYJOCSA-N 1 0 348.359 0.577 10 5 ECBERO CN1CCO[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152768146 436739993 /nfs/dbraw/zinc/73/99/93/436739993.db2.gz YYVVXYLYXQWHGP-ZDUSSCGKSA-N 1 0 329.378 0.345 10 5 ECBERO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171939057 436994828 /nfs/dbraw/zinc/99/48/28/436994828.db2.gz HAODWQXPSJCYFX-LLVKDONJSA-N 1 0 326.378 0.527 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000262350328 290792133 /nfs/dbraw/zinc/79/21/33/290792133.db2.gz VEKAZCQLCVSXJM-ZJUUUORDSA-N 1 0 328.394 0.676 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116900906 221009386 /nfs/dbraw/zinc/00/93/86/221009386.db2.gz NVXLASHVKZNSBJ-GFCCVEGCSA-N 1 0 329.378 0.546 10 5 ECBERO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262357902 165336323 /nfs/dbraw/zinc/33/63/23/165336323.db2.gz UYMMCCQXWPJZMG-BXKDBHETSA-N 1 0 339.348 0.312 10 5 ECBERO C[N@@H+]1CCO[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@@H]21 ZINC000153153119 277131490 /nfs/dbraw/zinc/13/14/90/277131490.db2.gz NHYFHXUSQHVDDS-KBPBESRZSA-N 1 0 331.332 0.351 10 5 ECBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261820411 277293866 /nfs/dbraw/zinc/29/38/66/277293866.db2.gz UHDNGYCCGIUEAW-QMMMGPOBSA-N 1 0 331.350 0.252 10 5 ECBERO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000177281650 437175684 /nfs/dbraw/zinc/17/56/84/437175684.db2.gz BJNGYZMGQQDJQI-WBMJQRKESA-N 1 0 348.403 0.846 10 5 ECBERO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O ZINC000174616161 529269342 /nfs/dbraw/zinc/26/93/42/529269342.db2.gz ZTZYDOKSVDTLNN-OLZOCXBDSA-N 1 0 339.396 0.485 10 5 ECBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(S(N)(=O)=O)cc1 ZINC000181561448 533406528 /nfs/dbraw/zinc/40/65/28/533406528.db2.gz IFNGYKZCRLQVFH-SNVBAGLBSA-N 1 0 339.377 0.790 10 5 ECBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247081007 165153625 /nfs/dbraw/zinc/15/36/25/165153625.db2.gz ZICZKWBQKBSXPA-STQMWFEESA-N 1 0 334.376 0.842 10 5 ECBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000247218256 165156392 /nfs/dbraw/zinc/15/63/92/165156392.db2.gz QHSAWPVUMFWEQX-NEPJUHHUSA-N 1 0 336.392 0.581 10 5 ECBERO C[NH2+]C[C@@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261661022 165222662 /nfs/dbraw/zinc/22/26/62/165222662.db2.gz GEMVHTNNDJCQIT-NSHDSACASA-N 1 0 342.421 0.891 10 5 ECBERO COC[C@]1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261821207 165247304 /nfs/dbraw/zinc/24/73/04/165247304.db2.gz HKOZWGPKXPSPHD-CYBMUJFWSA-N 1 0 344.393 0.423 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC[C@@H](C[NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000261690175 277026563 /nfs/dbraw/zinc/02/65/63/277026563.db2.gz IXRNVLBCQWKKPG-NSHDSACASA-N 1 0 342.421 0.939 10 5 ECBERO CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248374030 436802598 /nfs/dbraw/zinc/80/25/98/436802598.db2.gz NLEZJMJSYDFJGA-ZIAGYGMSSA-N 1 0 337.376 0.935 10 5 ECBERO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1CCOC ZINC000184671975 437408190 /nfs/dbraw/zinc/40/81/90/437408190.db2.gz NETUQVRJUSROQE-NSHDSACASA-N 1 0 337.380 0.755 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116900585 201076163 /nfs/dbraw/zinc/07/61/63/201076163.db2.gz ROZDEPNZCKFNBS-CQSZACIVSA-N 1 0 343.405 0.687 10 5 ECBERO Cn1nccc1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174765433 207055614 /nfs/dbraw/zinc/05/56/14/207055614.db2.gz BKMGUBKQKWCTPS-CQSZACIVSA-N 1 0 334.380 0.765 10 5 ECBERO C[C@H]([NH3+])CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000261722868 165232692 /nfs/dbraw/zinc/23/26/92/165232692.db2.gz FGELORGISUSWTM-VIFPVBQESA-N 1 0 326.378 0.678 10 5 ECBERO C[C@@H]([NH3+])CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262535101 165360542 /nfs/dbraw/zinc/36/05/42/165360542.db2.gz NHHFYABKQOZJKP-SNVBAGLBSA-N 1 0 344.393 0.117 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262144283 274982901 /nfs/dbraw/zinc/98/29/01/274982901.db2.gz HIURRDSYMSLLSJ-HQJQHLMTSA-N 1 0 333.266 0.924 10 5 ECBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116901034 436655741 /nfs/dbraw/zinc/65/57/41/436655741.db2.gz PXAXNFKVTHUPPF-ZDUSSCGKSA-N 1 0 343.405 0.854 10 5 ECBERO CCCc1n[nH]c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000116978091 436656432 /nfs/dbraw/zinc/65/64/32/436656432.db2.gz IWHUUARVIBZQRK-JTQLQIEISA-N 1 0 325.369 0.673 10 5 ECBERO Cc1cc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172032060 436996772 /nfs/dbraw/zinc/99/67/72/436996772.db2.gz PHKHXOLRDGLUQJ-LBPRGKRZSA-N 1 0 343.405 0.854 10 5 ECBERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182424959 437347783 /nfs/dbraw/zinc/34/77/83/437347783.db2.gz GTQLOFQUNIYSRH-BXUZGUMPSA-N 1 0 325.365 0.695 10 5 ECBERO CCOCCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000184671606 437408502 /nfs/dbraw/zinc/40/85/02/437408502.db2.gz VYSLCMWNDMPTNC-LLVKDONJSA-N 1 0 337.380 0.755 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262413388 320548361 /nfs/dbraw/zinc/54/83/61/320548361.db2.gz ZLSDLGJHIMOFKS-SMDDNHRTSA-N 1 0 331.332 0.091 10 5 ECBERO CC(C)[N@H+](C)CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130111411 528813935 /nfs/dbraw/zinc/81/39/35/528813935.db2.gz YANFZVIMKVZVCS-UKRRQHHQSA-N 1 0 325.365 0.446 10 5 ECBERO C[NH+](C)C[C@H]1CN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000152973324 609889249 /nfs/dbraw/zinc/88/92/49/609889249.db2.gz RQLLLBFMWWMLMF-LBPRGKRZSA-N 1 0 336.348 0.723 10 5 ECBERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105822010 204163795 /nfs/dbraw/zinc/16/37/95/204163795.db2.gz LJLNQARRTWNWAQ-QWHCGFSZSA-N 1 0 336.392 0.920 10 5 ECBERO COCC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000105833128 204168299 /nfs/dbraw/zinc/16/82/99/204168299.db2.gz XDNUCTGOGLQWOA-GFCCVEGCSA-N 1 0 336.392 0.846 10 5 ECBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000127838373 205120226 /nfs/dbraw/zinc/12/02/26/205120226.db2.gz PBCVJUXUKRYTTE-JTQLQIEISA-N 1 0 325.369 0.483 10 5 ECBERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000189298929 165008445 /nfs/dbraw/zinc/00/84/45/165008445.db2.gz SHNIBQFDEYSXQO-GHMZBOCLSA-N 1 0 327.312 0.490 10 5 ECBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247030856 165150078 /nfs/dbraw/zinc/15/00/78/165150078.db2.gz MIJJJLQQCFOTKG-DZGCQCFKSA-N 1 0 334.380 0.822 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262290462 165323554 /nfs/dbraw/zinc/32/35/54/165323554.db2.gz OQSVDEHDWMNDQO-IINYFYTJSA-N 1 0 331.332 0.091 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000261970072 277291025 /nfs/dbraw/zinc/29/10/25/277291025.db2.gz PYQCULRRJWJLIJ-UHFFFAOYSA-N 1 0 328.394 0.678 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261966398 282164355 /nfs/dbraw/zinc/16/43/55/282164355.db2.gz PLAKDRRQGYAMNT-JTQLQIEISA-N 1 0 328.394 0.773 10 5 ECBERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014949379 201367602 /nfs/dbraw/zinc/36/76/02/201367602.db2.gz WKTQIBKMCKFCJE-ZWNOBZJWSA-N 1 0 337.380 0.494 10 5 ECBERO C[C@H]([NH3+])CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000261717443 165231177 /nfs/dbraw/zinc/23/11/77/165231177.db2.gz DWGJBHFHTTUQRN-VIFPVBQESA-N 1 0 344.393 0.264 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000261850418 165251460 /nfs/dbraw/zinc/25/14/60/165251460.db2.gz ZUISYCFVFXQZCM-MNOVXSKESA-N 1 0 340.405 0.834 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261966399 276774395 /nfs/dbraw/zinc/77/43/95/276774395.db2.gz PLAKDRRQGYAMNT-SNVBAGLBSA-N 1 0 328.394 0.773 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000116900686 289202650 /nfs/dbraw/zinc/20/26/50/289202650.db2.gz BPCCDKXGDCDMAP-SNVBAGLBSA-N 1 0 347.368 0.685 10 5 ECBERO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C[C@H](C)O ZINC000248578282 165181507 /nfs/dbraw/zinc/18/15/07/165181507.db2.gz DYOUQKPWVDDLBM-WDEREUQCSA-N 1 0 337.380 0.489 10 5 ECBERO Cn1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262080216 165286886 /nfs/dbraw/zinc/28/68/86/165286886.db2.gz CIGWSKYVXPMKDR-SMDDNHRTSA-N 1 0 345.359 0.305 10 5 ECBERO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000261940234 288262039 /nfs/dbraw/zinc/26/20/39/288262039.db2.gz LCQGHRQOJBOWOB-SNVBAGLBSA-N 1 0 328.394 0.643 10 5 ECBERO COC[C@@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000263250520 436957102 /nfs/dbraw/zinc/95/71/02/436957102.db2.gz ONJAHYMLNXDOQU-SNVBAGLBSA-N 1 0 327.337 0.244 10 5 ECBERO Cc1c(Br)c(NC[C@@H]2C[NH2+]C[C@H]2O)ncc1[N+](=O)[O-] ZINC000420237049 438394120 /nfs/dbraw/zinc/39/41/20/438394120.db2.gz GTOUHIKRPRFPSW-IONNQARKSA-N 1 0 331.170 1.053 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000261819787 290791912 /nfs/dbraw/zinc/79/19/12/290791912.db2.gz AOHOTBCUSRHNBZ-VHSXEESVSA-N 1 0 328.394 0.690 10 5 ECBERO NS(=O)(=O)c1ccc(N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261919573 283443576 /nfs/dbraw/zinc/44/35/76/283443576.db2.gz HSHHEGHAVDFRRH-JTQLQIEISA-N 1 0 328.394 0.807 10 5 ECBERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014949376 201367448 /nfs/dbraw/zinc/36/74/48/201367448.db2.gz WKTQIBKMCKFCJE-MFKMUULPSA-N 1 0 337.380 0.494 10 5 ECBERO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261996183 165274538 /nfs/dbraw/zinc/27/45/38/165274538.db2.gz NDUWWHJAXHBSDL-BDJLRTHQSA-N 1 0 334.376 0.910 10 5 ECBERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105822006 436579339 /nfs/dbraw/zinc/57/93/39/436579339.db2.gz LJLNQARRTWNWAQ-CHWSQXEVSA-N 1 0 336.392 0.920 10 5 ECBERO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1CCOC ZINC000117309593 436657319 /nfs/dbraw/zinc/65/73/19/436657319.db2.gz XDTLMMVQNYIYSH-CYBMUJFWSA-N 1 0 339.396 0.669 10 5 ECBERO Cc1nn(CCc2nc([C@H]3C[NH2+]CCN3C)no2)c(C)c1[N+](=O)[O-] ZINC000263260572 436958899 /nfs/dbraw/zinc/95/88/99/436958899.db2.gz QWEVZNKZNIRSBQ-LLVKDONJSA-N 1 0 335.368 0.610 10 5 ECBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(S(N)(=O)=O)cc1 ZINC000181561428 533877326 /nfs/dbraw/zinc/87/73/26/533877326.db2.gz IFNGYKZCRLQVFH-JTQLQIEISA-N 1 0 339.377 0.790 10 5 ECBERO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000246295661 165128671 /nfs/dbraw/zinc/12/86/71/165128671.db2.gz BJNGYZMGQQDJQI-MLGOLLRUSA-N 1 0 348.403 0.846 10 5 ECBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261656680 165223169 /nfs/dbraw/zinc/22/31/69/165223169.db2.gz FXIYJLKRAARQKH-SDDRHHMPSA-N 1 0 334.376 0.909 10 5 ECBERO [NH3+]C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000261658649 165223346 /nfs/dbraw/zinc/22/33/46/165223346.db2.gz GUFMRQDDIIBITJ-OLZOCXBDSA-N 1 0 330.348 0.387 10 5 ECBERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000261831750 165249589 /nfs/dbraw/zinc/24/95/89/165249589.db2.gz QBPOOYHUMRBOFI-RTXFEEFZSA-N 1 0 335.364 0.509 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000262350322 165335021 /nfs/dbraw/zinc/33/50/21/165335021.db2.gz VEKAZCQLCVSXJM-NXEZZACHSA-N 1 0 328.394 0.676 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262359296 165336804 /nfs/dbraw/zinc/33/68/04/165336804.db2.gz VBJHDNUFIYEKSY-IINYFYTJSA-N 1 0 331.332 0.091 10 5 ECBERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262579065 165364371 /nfs/dbraw/zinc/36/43/71/165364371.db2.gz LDQOELFKNFFORM-ZYHUDNBSSA-N 1 0 348.359 0.564 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC[C@@H]2C[NH2+]C)c([N+](=O)[O-])c1 ZINC000262376796 277285865 /nfs/dbraw/zinc/28/58/65/277285865.db2.gz YHGAAEKOBUNSEQ-SNVBAGLBSA-N 1 0 328.394 0.691 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261832621 436890734 /nfs/dbraw/zinc/89/07/34/436890734.db2.gz IEMMATOXJOWIMK-ZYHUDNBSSA-N 1 0 340.405 0.691 10 5 ECBERO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247053529 612744015 /nfs/dbraw/zinc/74/40/15/612744015.db2.gz LOFHXVIIMIZQGR-LBPRGKRZSA-N 1 0 330.344 0.928 10 5 ECBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000105823153 204163752 /nfs/dbraw/zinc/16/37/52/204163752.db2.gz QHSAWPVUMFWEQX-VXGBXAGGSA-N 1 0 336.392 0.581 10 5 ECBERO CCCc1n[nH]c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000160539911 206302855 /nfs/dbraw/zinc/30/28/55/206302855.db2.gz PEVZCYUOKGAFAN-NSHDSACASA-N 1 0 339.396 0.847 10 5 ECBERO CNS(=O)(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261841758 165252271 /nfs/dbraw/zinc/25/22/71/165252271.db2.gz COAUHFNOKJCCGU-JTQLQIEISA-N 1 0 328.394 0.914 10 5 ECBERO COC[C@]1(CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262312858 165327400 /nfs/dbraw/zinc/32/74/00/165327400.db2.gz PIAIXONVEHBWDA-CQSZACIVSA-N 1 0 343.405 0.950 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261832602 277291187 /nfs/dbraw/zinc/29/11/87/277291187.db2.gz IEMMATOXJOWIMK-CMPLNLGQSA-N 1 0 340.405 0.691 10 5 ECBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900176 436655629 /nfs/dbraw/zinc/65/56/29/436655629.db2.gz GAKRELFVZROZNY-LBPRGKRZSA-N 1 0 343.405 0.854 10 5 ECBERO CN(C(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990103 437071451 /nfs/dbraw/zinc/07/14/51/437071451.db2.gz FTGXDDXYRUXWKC-MRXNPFEDSA-N 1 0 348.403 0.964 10 5 ECBERO Cn1nccc1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174765423 207055674 /nfs/dbraw/zinc/05/56/74/207055674.db2.gz BKMGUBKQKWCTPS-AWEZNQCLSA-N 1 0 334.380 0.765 10 5 ECBERO CN1CCO[C@H](C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246034990 165121423 /nfs/dbraw/zinc/12/14/23/165121423.db2.gz PWZKQVMVZIQKPI-CABCVRRESA-N 1 0 334.376 0.620 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246780407 165142375 /nfs/dbraw/zinc/14/23/75/165142375.db2.gz SJLUGINGFRCISW-TZMCWYRMSA-N 1 0 335.368 0.156 10 5 ECBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247080997 165153540 /nfs/dbraw/zinc/15/35/40/165153540.db2.gz ZICZKWBQKBSXPA-OLZOCXBDSA-N 1 0 334.376 0.842 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262257211 165318218 /nfs/dbraw/zinc/31/82/18/165318218.db2.gz LYVQBUANJIIDSL-RDDDGLTNSA-N 1 0 344.165 0.667 10 5 ECBERO NS(=O)(=O)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000029587313 436202002 /nfs/dbraw/zinc/20/20/02/436202002.db2.gz GOLUSEUTCYUTBL-SNVBAGLBSA-N 1 0 326.378 0.527 10 5 ECBERO CN1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000226622000 436714543 /nfs/dbraw/zinc/71/45/43/436714543.db2.gz WPIPBEQHQAUGNI-VIFPVBQESA-N 1 0 330.186 0.831 10 5 ECBERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247338066 436793016 /nfs/dbraw/zinc/79/30/16/436793016.db2.gz FXNKYGJVDIOULD-TZMCWYRMSA-N 1 0 339.396 0.533 10 5 ECBERO C[C@H](O)C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000246765962 165143268 /nfs/dbraw/zinc/14/32/68/165143268.db2.gz PDEPZCQQAYKSKF-OLZOCXBDSA-N 1 0 336.392 0.920 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262238755 165314298 /nfs/dbraw/zinc/31/42/98/165314298.db2.gz KTIOWEMQHRLBKR-AMIZOPFISA-N 1 0 332.316 0.159 10 5 ECBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000160372221 225397838 /nfs/dbraw/zinc/39/78/38/225397838.db2.gz BKTPATYUBZTBRB-ZDUSSCGKSA-N 1 0 336.392 0.970 10 5 ECBERO CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000246747158 436786266 /nfs/dbraw/zinc/78/62/66/436786266.db2.gz OXGVMOXOBLUBKK-UKRRQHHQSA-N 1 0 341.412 0.195 10 5 ECBERO C[NH+](C)C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182240349 437341466 /nfs/dbraw/zinc/34/14/66/437341466.db2.gz MECJCEXBECKJQO-UONOGXRCSA-N 1 0 339.392 0.597 10 5 ECBERO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181574992 437324499 /nfs/dbraw/zinc/32/44/99/437324499.db2.gz QUFANFDXQXJBGK-LLVKDONJSA-N 1 0 326.378 0.527 10 5 ECBERO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1CCOC ZINC000131819258 529394792 /nfs/dbraw/zinc/39/47/92/529394792.db2.gz AASXILVZBGANJD-CQSZACIVSA-N 1 0 338.408 0.799 10 5 ECBERO C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1 ZINC000173969586 231086206 /nfs/dbraw/zinc/08/62/06/231086206.db2.gz YRQLTJRREJVQOI-GXTWGEPZSA-N 1 0 337.380 0.361 10 5 ECBERO NS(=O)(=O)c1ccc(N2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c([N+](=O)[O-])c1 ZINC000261904672 207788626 /nfs/dbraw/zinc/78/86/26/207788626.db2.gz PHNASVLLTIHJIJ-ADEWGFFLSA-N 1 0 340.405 0.806 10 5 ECBERO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000247148045 165155662 /nfs/dbraw/zinc/15/56/62/165155662.db2.gz LJLNQARRTWNWAQ-STQMWFEESA-N 1 0 336.392 0.920 10 5 ECBERO Cn1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263143998 165418992 /nfs/dbraw/zinc/41/89/92/165418992.db2.gz CNIBPZORBPLABV-IUODEOHRSA-N 1 0 331.376 0.665 10 5 ECBERO C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261970363 299853597 /nfs/dbraw/zinc/85/35/97/299853597.db2.gz QALZEXUYAKJVII-ZANVPECISA-N 1 0 328.394 0.806 10 5 ECBERO O=C(CNc1ncc(Br)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000041066902 436268491 /nfs/dbraw/zinc/26/84/91/436268491.db2.gz CPMGULYWOSBFRH-UHFFFAOYSA-N 1 0 344.169 0.596 10 5 ECBERO C[NH+](C)C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000105904395 436585793 /nfs/dbraw/zinc/58/57/93/436585793.db2.gz IIZXBNDMAALVSP-GOEBONIOSA-N 1 0 339.392 0.597 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248778179 436810580 /nfs/dbraw/zinc/81/05/80/436810580.db2.gz ULCSJFWTDNHTHD-NSHDSACASA-N 1 0 340.405 0.787 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC[C@H]2C[NH2+]C)c([N+](=O)[O-])c1 ZINC000262376795 290697029 /nfs/dbraw/zinc/69/70/29/290697029.db2.gz YHGAAEKOBUNSEQ-JTQLQIEISA-N 1 0 328.394 0.691 10 5 ECBERO [NH3+]C1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000261762908 165239343 /nfs/dbraw/zinc/23/93/43/165239343.db2.gz GAGLZEURBXTODC-LLVKDONJSA-N 1 0 335.364 0.511 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262144280 165298574 /nfs/dbraw/zinc/29/85/74/165298574.db2.gz HIURRDSYMSLLSJ-CPCISQLKSA-N 1 0 333.266 0.924 10 5 ECBERO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262357904 165336713 /nfs/dbraw/zinc/33/67/13/165336713.db2.gz UYMMCCQXWPJZMG-CABZTGNLSA-N 1 0 339.348 0.312 10 5 ECBERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000262496100 297801143 /nfs/dbraw/zinc/80/11/43/297801143.db2.gz LLKHBJWWXLRELQ-MWLCHTKSSA-N 1 0 328.394 0.771 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152262930 436724761 /nfs/dbraw/zinc/72/47/61/436724761.db2.gz XXPQQAWTPLBQHT-ZFWWWQNUSA-N 1 0 333.348 0.701 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@H](C[NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000262018048 165277063 /nfs/dbraw/zinc/27/70/63/165277063.db2.gz XHMCMRQMPHUJHF-JTQLQIEISA-N 1 0 328.394 0.549 10 5 ECBERO NS(=O)(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000262047306 165282082 /nfs/dbraw/zinc/28/20/82/165282082.db2.gz CNFYTSPKLFGLHG-ZJUUUORDSA-N 1 0 326.378 0.573 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262089063 165289557 /nfs/dbraw/zinc/28/95/57/165289557.db2.gz HWUJMQVMCBQFFU-ZJUUUORDSA-N 1 0 328.394 0.676 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262257208 165318670 /nfs/dbraw/zinc/31/86/70/165318670.db2.gz LYVQBUANJIIDSL-HQJQHLMTSA-N 1 0 344.165 0.667 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000262337520 165333044 /nfs/dbraw/zinc/33/30/44/165333044.db2.gz STPODEAXABUXGU-RDDDGLTNSA-N 1 0 344.165 0.667 10 5 ECBERO C[C@H]([NH3+])C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261959484 279394095 /nfs/dbraw/zinc/39/40/95/279394095.db2.gz OLAZCPRLBKXCTD-VIFPVBQESA-N 1 0 328.394 0.806 10 5 ECBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900607 302044485 /nfs/dbraw/zinc/04/44/85/302044485.db2.gz BCUCPYMAWWHJCJ-GFCCVEGCSA-N 1 0 343.405 0.854 10 5 ECBERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022178 437137863 /nfs/dbraw/zinc/13/78/63/437137863.db2.gz FXOJTFJNEFWUDZ-OAHLLOKOSA-N 1 0 348.403 0.830 10 5 ECBERO CC[NH+](CC)CC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130171348 528090408 /nfs/dbraw/zinc/09/04/08/528090408.db2.gz DHKZZLKDTMBMJX-HIFRSBDPSA-N 1 0 325.365 0.447 10 5 ECBERO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000126349995 590438960 /nfs/dbraw/zinc/43/89/60/590438960.db2.gz WRFRZRRJIUKPBX-NXEZZACHSA-N 1 0 338.389 0.739 10 5 ECBERO C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1 ZINC000173969566 231085864 /nfs/dbraw/zinc/08/58/64/231085864.db2.gz YRQLTJRREJVQOI-JSGCOSHPSA-N 1 0 337.380 0.361 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000174784840 231310657 /nfs/dbraw/zinc/31/06/57/231310657.db2.gz IUXCXEBKQFKCQS-HNNXBMFYSA-N 1 0 334.380 0.761 10 5 ECBERO CCCc1n[nH]c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000116978089 221018938 /nfs/dbraw/zinc/01/89/38/221018938.db2.gz IWHUUARVIBZQRK-SNVBAGLBSA-N 1 0 325.369 0.673 10 5 ECBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262107058 165292479 /nfs/dbraw/zinc/29/24/79/165292479.db2.gz FDEBQNNKTRSJLH-SBMIAAHKSA-N 1 0 343.767 0.712 10 5 ECBERO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262338944 165333302 /nfs/dbraw/zinc/33/33/02/165333302.db2.gz SXBJHAOWKLCZJC-JOYOIKCWSA-N 1 0 343.767 0.714 10 5 ECBERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075682210 436171965 /nfs/dbraw/zinc/17/19/65/436171965.db2.gz FXNKYGJVDIOULD-OCCSQVGLSA-N 1 0 339.396 0.533 10 5 ECBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000028659502 436192419 /nfs/dbraw/zinc/19/24/19/436192419.db2.gz ABVCROSHFKNFAQ-UKRRQHHQSA-N 1 0 337.376 0.887 10 5 ECBERO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)C1 ZINC000301246588 437117922 /nfs/dbraw/zinc/11/79/22/437117922.db2.gz AUXBNEGXBHGBPJ-CQSZACIVSA-N 1 0 347.419 0.910 10 5 ECBERO CN(C(=O)CN1CCO[C@@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000155296031 224393149 /nfs/dbraw/zinc/39/31/49/224393149.db2.gz JBLKOPYRAABWOV-HNNXBMFYSA-N 1 0 336.392 0.820 10 5 ECBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261996186 165274678 /nfs/dbraw/zinc/27/46/78/165274678.db2.gz NDUWWHJAXHBSDL-MEDUHNTESA-N 1 0 334.376 0.910 10 5 ECBERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000262013988 274507484 /nfs/dbraw/zinc/50/74/84/274507484.db2.gz WTVAOAFWIIDUTG-UWVGGRQHSA-N 1 0 328.394 0.806 10 5 ECBERO C[N@@H+]1CCO[C@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000153186261 277132103 /nfs/dbraw/zinc/13/21/03/277132103.db2.gz VBFBPAKMIQPOKS-QWRGUYRKSA-N 1 0 331.332 0.122 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262125670 279864823 /nfs/dbraw/zinc/86/48/23/279864823.db2.gz GBPIBMNJTOYFOP-DOMZBBRYSA-N 1 0 334.376 0.505 10 5 ECBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159974397 436864595 /nfs/dbraw/zinc/86/45/95/436864595.db2.gz QCJYIVOCNYZUQA-AWEZNQCLSA-N 1 0 337.376 0.937 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000174788068 231311785 /nfs/dbraw/zinc/31/17/85/231311785.db2.gz SJLUGINGFRCISW-GXTWGEPZSA-N 1 0 335.368 0.156 10 5 ECBERO C[NH+](C)C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248373878 165172939 /nfs/dbraw/zinc/17/29/39/165172939.db2.gz MECJCEXBECKJQO-ZIAGYGMSSA-N 1 0 339.392 0.597 10 5 ECBERO NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261904684 295316795 /nfs/dbraw/zinc/31/67/95/295316795.db2.gz PHNASVLLTIHJIJ-MVWJERBFSA-N 1 0 340.405 0.806 10 5 ECBERO CCCc1n[nH]c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000160540032 436872683 /nfs/dbraw/zinc/87/26/83/436872683.db2.gz PEVZCYUOKGAFAN-LLVKDONJSA-N 1 0 339.396 0.847 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262413386 436932554 /nfs/dbraw/zinc/93/25/54/436932554.db2.gz ZLSDLGJHIMOFKS-FZMZJTMJSA-N 1 0 331.332 0.091 10 5 ECBERO CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1CCOC ZINC000131819453 529294995 /nfs/dbraw/zinc/29/49/95/529294995.db2.gz AASXILVZBGANJD-AWEZNQCLSA-N 1 0 338.408 0.799 10 5 ECBERO [NH3+]C1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCOCC1 ZINC000261701967 295201743 /nfs/dbraw/zinc/20/17/43/295201743.db2.gz OWMWCEPIWFRFFC-UHFFFAOYSA-N 1 0 334.376 0.751 10 5 ECBERO COc1cc(N(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1F ZINC000261631648 165219444 /nfs/dbraw/zinc/21/94/44/165219444.db2.gz CBXZHMJCNJVACD-UHFFFAOYSA-N 1 0 326.328 0.611 10 5 ECBERO CN(CC(=O)N1CC[NH2+]CC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261979382 165272664 /nfs/dbraw/zinc/27/26/64/165272664.db2.gz ZYRFCNOZMJOZQD-UHFFFAOYSA-N 1 0 336.377 0.468 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262025594 165278914 /nfs/dbraw/zinc/27/89/14/165278914.db2.gz AWMAMRNTBNPDOC-YGRLFVJLSA-N 1 0 331.332 0.091 10 5 ECBERO [NH3+]CC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000262075238 165285525 /nfs/dbraw/zinc/28/55/25/165285525.db2.gz BYABKOIDEOVSAV-GFCCVEGCSA-N 1 0 349.391 0.758 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262089034 165289250 /nfs/dbraw/zinc/28/92/50/165289250.db2.gz HWUJMQVMCBQFFU-NXEZZACHSA-N 1 0 328.394 0.676 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262290461 165323924 /nfs/dbraw/zinc/32/39/24/165323924.db2.gz OQSVDEHDWMNDQO-HZMBPMFUSA-N 1 0 331.332 0.091 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261935793 277291253 /nfs/dbraw/zinc/29/12/53/277291253.db2.gz TZUQVKYEWGRJKK-MVWJERBFSA-N 1 0 340.405 0.676 10 5 ECBERO C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262569980 278370351 /nfs/dbraw/zinc/37/03/51/278370351.db2.gz XHBBLDZIEDIHEK-VHSXEESVSA-N 1 0 328.394 0.663 10 5 ECBERO O=C(CNc1ncc([N+](=O)[O-])cc1Br)N1CC[NH2+]CC1 ZINC000093434257 436487717 /nfs/dbraw/zinc/48/77/17/436487717.db2.gz IXLAMZHYZJGYCO-UHFFFAOYSA-N 1 0 344.169 0.596 10 5 ECBERO CCOCC[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000246835892 436786126 /nfs/dbraw/zinc/78/61/26/436786126.db2.gz YLCRPIPAYIHMBT-UKRRQHHQSA-N 1 0 341.412 0.195 10 5 ECBERO CCOCC[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000246835872 436786445 /nfs/dbraw/zinc/78/64/45/436786445.db2.gz YLCRPIPAYIHMBT-HIFRSBDPSA-N 1 0 341.412 0.195 10 5 ECBERO CCOCCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000184671580 437407744 /nfs/dbraw/zinc/40/77/44/437407744.db2.gz VYSLCMWNDMPTNC-NSHDSACASA-N 1 0 337.380 0.755 10 5 ECBERO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C[C@@H](C)O ZINC000131813921 529394501 /nfs/dbraw/zinc/39/45/01/529394501.db2.gz DUYSZQIQGQRZHK-ZIAGYGMSSA-N 1 0 338.408 0.534 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000174765903 231304136 /nfs/dbraw/zinc/30/41/36/231304136.db2.gz KYRIPUQTGKAUJT-HIFRSBDPSA-N 1 0 346.391 0.981 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000174781196 231308474 /nfs/dbraw/zinc/30/84/74/231308474.db2.gz PSWVBGXGEOBHHC-CQSZACIVSA-N 1 0 347.379 0.519 10 5 ECBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262119134 165294154 /nfs/dbraw/zinc/29/41/54/165294154.db2.gz FTFXNLUGEJWBLO-OUJBWJOFSA-N 1 0 325.390 0.772 10 5 ECBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160177295 225355036 /nfs/dbraw/zinc/35/50/36/225355036.db2.gz KIMPFWXCMPCJEG-CQSZACIVSA-N 1 0 337.376 0.937 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC[C@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000261850416 277042095 /nfs/dbraw/zinc/04/20/95/277042095.db2.gz DKEOMCCVAMOBAD-JTQLQIEISA-N 1 0 328.394 0.691 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000024659576 436136292 /nfs/dbraw/zinc/13/62/92/436136292.db2.gz ULCSJFWTDNHTHD-LLVKDONJSA-N 1 0 340.405 0.787 10 5 ECBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000116787864 436650985 /nfs/dbraw/zinc/65/09/85/436650985.db2.gz RZVIYGCMKXJECB-ZDUSSCGKSA-N 1 0 338.320 0.906 10 5 ECBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000127838604 436808318 /nfs/dbraw/zinc/80/83/18/436808318.db2.gz PBCVJUXUKRYTTE-SNVBAGLBSA-N 1 0 325.369 0.483 10 5 ECBERO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000183431559 235073222 /nfs/dbraw/zinc/07/32/22/235073222.db2.gz WWQKQNGUMPRJEM-CQSZACIVSA-N 1 0 346.387 0.940 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261907801 283640195 /nfs/dbraw/zinc/64/01/95/283640195.db2.gz PUCHNXYADVYJGW-QWRGUYRKSA-N 1 0 342.421 0.924 10 5 ECBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900303 221009293 /nfs/dbraw/zinc/00/92/93/221009293.db2.gz KCGCMKTWBBVQPL-CYBMUJFWSA-N 1 0 343.405 0.854 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000262337517 165333167 /nfs/dbraw/zinc/33/31/67/165333167.db2.gz STPODEAXABUXGU-HQJQHLMTSA-N 1 0 344.165 0.667 10 5 ECBERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118857006 263145754 /nfs/dbraw/zinc/14/57/54/263145754.db2.gz WXWVDCGWJWVGCV-CYBMUJFWSA-N 1 0 336.392 0.922 10 5 ECBERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000183661212 437387765 /nfs/dbraw/zinc/38/77/65/437387765.db2.gz CDGBGHQFMLXNGK-TZMCWYRMSA-N 1 0 325.365 0.695 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000185807862 437450865 /nfs/dbraw/zinc/45/08/65/437450865.db2.gz MHQOZTCHEGLCAT-GFCCVEGCSA-N 1 0 329.378 0.546 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000174781187 231309543 /nfs/dbraw/zinc/30/95/43/231309543.db2.gz PSWVBGXGEOBHHC-AWEZNQCLSA-N 1 0 347.379 0.519 10 5 ECBERO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000177281666 231847492 /nfs/dbraw/zinc/84/74/92/231847492.db2.gz BJNGYZMGQQDJQI-LRDDRELGSA-N 1 0 348.403 0.846 10 5 ECBERO CC[N@H+](CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000092518490 218146466 /nfs/dbraw/zinc/14/64/66/218146466.db2.gz KHASMDMIGBPXBI-GOEBONIOSA-N 1 0 337.376 0.590 10 5 ECBERO CN1CCO[C@@H](C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246034995 165121544 /nfs/dbraw/zinc/12/15/44/165121544.db2.gz PWZKQVMVZIQKPI-GJZGRUSLSA-N 1 0 334.376 0.620 10 5 ECBERO [NH3+][C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000261667132 165225871 /nfs/dbraw/zinc/22/58/71/165225871.db2.gz GAZAZEQWIGRQFS-WFASDCNBSA-N 1 0 349.391 0.757 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262257207 165318531 /nfs/dbraw/zinc/31/85/31/165318531.db2.gz LYVQBUANJIIDSL-CPCISQLKSA-N 1 0 344.165 0.667 10 5 ECBERO CCOCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000245606925 436766581 /nfs/dbraw/zinc/76/65/81/436766581.db2.gz ZAIQHJQTZLAGTM-CQSZACIVSA-N 1 0 338.408 0.799 10 5 ECBERO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000247072192 436788670 /nfs/dbraw/zinc/78/86/70/436788670.db2.gz ZTZYDOKSVDTLNN-STQMWFEESA-N 1 0 339.396 0.485 10 5 ECBERO CC[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174732902 437087890 /nfs/dbraw/zinc/08/78/90/437087890.db2.gz UBPJKAHXFIKLHM-YPMHNXCESA-N 1 0 336.392 0.975 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000116900688 221009164 /nfs/dbraw/zinc/00/91/64/221009164.db2.gz BPCCDKXGDCDMAP-JTQLQIEISA-N 1 0 347.368 0.685 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000116900533 221009303 /nfs/dbraw/zinc/00/93/03/221009303.db2.gz SWENCRAXEMCMKE-SECBINFHSA-N 1 0 335.407 0.607 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262125700 165295856 /nfs/dbraw/zinc/29/58/56/165295856.db2.gz GBPIBMNJTOYFOP-WFASDCNBSA-N 1 0 334.376 0.505 10 5 ECBERO CNS(=O)(=O)c1ccc(N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000262137561 165298831 /nfs/dbraw/zinc/29/88/31/165298831.db2.gz MCHOQZRPGWCLEO-UHFFFAOYSA-N 1 0 330.410 0.924 10 5 ECBERO [NH3+]C[C@@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262660626 165371730 /nfs/dbraw/zinc/37/17/30/165371730.db2.gz ZBSYMEBCUILYEU-NSHDSACASA-N 1 0 334.332 0.270 10 5 ECBERO O=c1c([N+](=O)[O-])c(NC[C@H]2C[NH+]3CCN2CC3)nc2ccccn21 ZINC000301765095 296890934 /nfs/dbraw/zinc/89/09/34/296890934.db2.gz HOCGRVQKFGRFNK-NSHDSACASA-N 1 0 330.348 0.014 10 5 ECBERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000118856904 263145738 /nfs/dbraw/zinc/14/57/38/263145738.db2.gz KMFHDWAHHYVOEU-CQSZACIVSA-N 1 0 336.392 0.582 10 5 ECBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000184502473 437403807 /nfs/dbraw/zinc/40/38/07/437403807.db2.gz JYFOPYPQLJVQKA-CYBMUJFWSA-N 1 0 343.405 0.687 10 5 ECBERO COc1c(F)cc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000193225015 240067916 /nfs/dbraw/zinc/06/79/16/240067916.db2.gz FWKHRPOVQNFAHJ-QMMMGPOBSA-N 1 0 333.341 0.854 10 5 ECBERO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000117303407 221049042 /nfs/dbraw/zinc/04/90/42/221049042.db2.gz LOHLGNPEYVECLX-CYBMUJFWSA-N 1 0 339.396 0.751 10 5 ECBERO C[C@@H]([NH3+])CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000261717442 165231834 /nfs/dbraw/zinc/23/18/34/165231834.db2.gz DWGJBHFHTTUQRN-SECBINFHSA-N 1 0 344.393 0.264 10 5 ECBERO [NH3+]C1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 ZINC000261746473 165234726 /nfs/dbraw/zinc/23/47/26/165234726.db2.gz UFPIWUCDVMWXGI-UHFFFAOYSA-N 1 0 334.376 0.751 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000261876847 165256294 /nfs/dbraw/zinc/25/62/94/165256294.db2.gz MBLPSKPWTCYXKY-CQSZACIVSA-N 1 0 340.405 0.693 10 5 ECBERO Cn1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262080213 165288041 /nfs/dbraw/zinc/28/80/41/165288041.db2.gz CIGWSKYVXPMKDR-BXUZGUMPSA-N 1 0 345.359 0.305 10 5 ECBERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262579056 165364798 /nfs/dbraw/zinc/36/47/98/165364798.db2.gz LDQOELFKNFFORM-CMPLNLGQSA-N 1 0 348.359 0.564 10 5 ECBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000090549361 436432092 /nfs/dbraw/zinc/43/20/92/436432092.db2.gz NQEPEOVHDCQYJP-ZDUSSCGKSA-N 1 0 332.364 0.760 10 5 ECBERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000262119158 244813614 /nfs/dbraw/zinc/81/36/14/244813614.db2.gz FTKVRGQPFORCMZ-CABCVRRESA-N 1 0 343.387 0.990 10 5 ECBERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247030881 165150886 /nfs/dbraw/zinc/15/08/86/165150886.db2.gz MIJJJLQQCFOTKG-UKRRQHHQSA-N 1 0 334.380 0.822 10 5 ECBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248463203 165178828 /nfs/dbraw/zinc/17/88/28/165178828.db2.gz QLGXGRXTKNLHRX-TZMCWYRMSA-N 1 0 337.376 0.887 10 5 ECBERO CO[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261610465 165215889 /nfs/dbraw/zinc/21/58/89/165215889.db2.gz AXTNSYMVMWTHPR-UONOGXRCSA-N 1 0 343.405 0.863 10 5 ECBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000261749798 165238310 /nfs/dbraw/zinc/23/83/10/165238310.db2.gz UOZJBBWCVKEYFC-VIFPVBQESA-N 1 0 334.336 0.422 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262144292 165299064 /nfs/dbraw/zinc/29/90/64/165299064.db2.gz HIURRDSYMSLLSJ-WRWORJQWSA-N 1 0 333.266 0.924 10 5 ECBERO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1SC ZINC000262320139 165329775 /nfs/dbraw/zinc/32/97/75/165329775.db2.gz RESGOICJEJUVQV-LDYMZIIASA-N 1 0 341.389 0.635 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000116900367 436655164 /nfs/dbraw/zinc/65/51/64/436655164.db2.gz MJXMKYATTLOIPE-NSHDSACASA-N 1 0 329.378 0.546 10 5 ECBERO CCOCC[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000246835853 436786379 /nfs/dbraw/zinc/78/63/79/436786379.db2.gz YLCRPIPAYIHMBT-DZGCQCFKSA-N 1 0 341.412 0.195 10 5 ECBERO CN(CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000173523142 437054125 /nfs/dbraw/zinc/05/41/25/437054125.db2.gz XYFDEERTOBTSSU-CYBMUJFWSA-N 1 0 336.392 0.820 10 5 ECBERO Cc1nn(C)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173961197 437071005 /nfs/dbraw/zinc/07/10/05/437071005.db2.gz OMDAUFAKSCOFET-ZYHUDNBSSA-N 1 0 337.380 0.429 10 5 ECBERO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1CCOC ZINC000184671959 437409160 /nfs/dbraw/zinc/40/91/60/437409160.db2.gz NETUQVRJUSROQE-LLVKDONJSA-N 1 0 337.380 0.755 10 5 ECBERO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000183431586 235073137 /nfs/dbraw/zinc/07/31/37/235073137.db2.gz WWQKQNGUMPRJEM-AWEZNQCLSA-N 1 0 346.387 0.940 10 5 ECBERO Cc1c(F)cc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193237459 240072471 /nfs/dbraw/zinc/07/24/71/240072471.db2.gz ZXOMBUGAMVCOFF-UHFFFAOYSA-N 1 0 346.384 0.226 10 5 ECBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262119131 165294683 /nfs/dbraw/zinc/29/46/83/165294683.db2.gz FTFXNLUGEJWBLO-OPQQBVKSSA-N 1 0 325.390 0.772 10 5 ECBERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262579062 165364827 /nfs/dbraw/zinc/36/48/27/165364827.db2.gz LDQOELFKNFFORM-PWSUYJOCSA-N 1 0 348.359 0.564 10 5 ECBERO C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000116793521 436652352 /nfs/dbraw/zinc/65/23/52/436652352.db2.gz OOBYGBDAPHOZMI-LLVKDONJSA-N 1 0 333.348 0.874 10 5 ECBERO NS(=O)(=O)c1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000272459530 436716088 /nfs/dbraw/zinc/71/60/88/436716088.db2.gz GYQAMHRARGIPJX-LLVKDONJSA-N 1 0 340.405 0.917 10 5 ECBERO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000247072175 436788380 /nfs/dbraw/zinc/78/83/80/436788380.db2.gz ZTZYDOKSVDTLNN-QWHCGFSZSA-N 1 0 339.396 0.485 10 5 ECBERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262769202 303423769 /nfs/dbraw/zinc/42/37/69/303423769.db2.gz VBHAUGAHEKIYCR-SECBINFHSA-N 1 0 343.361 0.478 10 5 ECBERO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[NH2+]CCCO1 ZINC000389825564 438428350 /nfs/dbraw/zinc/42/83/50/438428350.db2.gz SEVZMYQLIUHVLR-MRVPVSSYSA-N 1 0 331.170 0.965 10 5 ECBERO CN(C(=O)CN1CCO[C@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000155295912 224393118 /nfs/dbraw/zinc/39/31/18/224393118.db2.gz JBLKOPYRAABWOV-OAHLLOKOSA-N 1 0 336.392 0.820 10 5 ECBERO C[C@H](O)C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000246765975 165142085 /nfs/dbraw/zinc/14/20/85/165142085.db2.gz PDEPZCQQAYKSKF-STQMWFEESA-N 1 0 336.392 0.920 10 5 ECBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000261638469 165219543 /nfs/dbraw/zinc/21/95/43/165219543.db2.gz CYVVZJNYRLSXJB-SECBINFHSA-N 1 0 338.393 0.595 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000261876845 165255900 /nfs/dbraw/zinc/25/59/00/165255900.db2.gz MBLPSKPWTCYXKY-AWEZNQCLSA-N 1 0 340.405 0.693 10 5 ECBERO Nc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000160088111 225335507 /nfs/dbraw/zinc/33/55/07/225335507.db2.gz MXXQVZCUTGATRY-NSHDSACASA-N 1 0 340.355 0.893 10 5 ECBERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000262496103 300677616 /nfs/dbraw/zinc/67/76/16/300677616.db2.gz LLKHBJWWXLRELQ-ONGXEEELSA-N 1 0 328.394 0.771 10 5 ECBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000140555144 436668556 /nfs/dbraw/zinc/66/85/56/436668556.db2.gz AMSKRZMNGXQTCJ-ZDUSSCGKSA-N 1 0 343.405 0.720 10 5 ECBERO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N1CCOCC1 ZINC000245592311 436765574 /nfs/dbraw/zinc/76/55/74/436765574.db2.gz PZHKJZIEORFKAU-UKRRQHHQSA-N 1 0 336.392 0.409 10 5 ECBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000158960191 436852078 /nfs/dbraw/zinc/85/20/78/436852078.db2.gz UDTPPCBXDVGFLO-JTQLQIEISA-N 1 0 349.434 0.781 10 5 ECBERO Cn1cc(CNC[C@H]2C[NH2+]C[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263143999 436952858 /nfs/dbraw/zinc/95/28/58/436952858.db2.gz CNIBPZORBPLABV-SWLSCSKDSA-N 1 0 331.376 0.665 10 5 ECBERO C[N@@H+]1CCO[C@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC000301680763 437129304 /nfs/dbraw/zinc/12/93/04/437129304.db2.gz VBFBPAKMIQPOKS-MNOVXSKESA-N 1 0 331.332 0.122 10 5 ECBERO C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000176428931 437140736 /nfs/dbraw/zinc/14/07/36/437140736.db2.gz WILOQHJKHHONJP-JQWIXIFHSA-N 1 0 328.369 0.814 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262350273 290791715 /nfs/dbraw/zinc/79/17/15/290791715.db2.gz VDHNFBZYKXGDNL-ONGXEEELSA-N 1 0 328.394 0.676 10 5 ECBERO COCC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000105833132 219552274 /nfs/dbraw/zinc/55/22/74/219552274.db2.gz XDNUCTGOGLQWOA-LBPRGKRZSA-N 1 0 336.392 0.846 10 5 ECBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000186917217 236063099 /nfs/dbraw/zinc/06/30/99/236063099.db2.gz KPCGKJPDBMZGTE-MRVWCRGKSA-N 1 0 332.360 0.520 10 5 ECBERO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1CCOC ZINC000117309596 221051400 /nfs/dbraw/zinc/05/14/00/221051400.db2.gz XDTLMMVQNYIYSH-ZDUSSCGKSA-N 1 0 339.396 0.669 10 5 ECBERO CO[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261610459 165215048 /nfs/dbraw/zinc/21/50/48/165215048.db2.gz AXTNSYMVMWTHPR-KBPBESRZSA-N 1 0 343.405 0.863 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261819784 165247851 /nfs/dbraw/zinc/24/78/51/165247851.db2.gz AOHOTBCUSRHNBZ-UWVGGRQHSA-N 1 0 328.394 0.690 10 5 ECBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262107060 165292825 /nfs/dbraw/zinc/29/28/25/165292825.db2.gz FDEBQNNKTRSJLH-YGOYTEALSA-N 1 0 343.767 0.712 10 5 ECBERO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262338946 165332415 /nfs/dbraw/zinc/33/24/15/165332415.db2.gz SXBJHAOWKLCZJC-SKDRFNHKSA-N 1 0 343.767 0.714 10 5 ECBERO CN(C(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990092 437070712 /nfs/dbraw/zinc/07/07/12/437070712.db2.gz FTGXDDXYRUXWKC-INIZCTEOSA-N 1 0 348.403 0.964 10 5 ECBERO CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182214126 437342713 /nfs/dbraw/zinc/34/27/13/437342713.db2.gz NLEZJMJSYDFJGA-KGLIPLIRSA-N 1 0 337.376 0.935 10 5 ECBERO C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261970352 296401241 /nfs/dbraw/zinc/40/12/41/296401241.db2.gz QALZEXUYAKJVII-NOZJJQNGSA-N 1 0 328.394 0.806 10 5 ECBERO C[NH+](C)C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000155257757 224385911 /nfs/dbraw/zinc/38/59/11/224385911.db2.gz WSXHVJTVYQJCOA-HNNXBMFYSA-N 1 0 348.403 0.746 10 5 ECBERO C[C@@H]([NH3+])CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000261722861 165233033 /nfs/dbraw/zinc/23/30/33/165233033.db2.gz FGELORGISUSWTM-SECBINFHSA-N 1 0 326.378 0.678 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262257213 165317993 /nfs/dbraw/zinc/31/79/93/165317993.db2.gz LYVQBUANJIIDSL-WRWORJQWSA-N 1 0 344.165 0.667 10 5 ECBERO CCOc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000262274498 165320173 /nfs/dbraw/zinc/32/01/73/165320173.db2.gz NHCHGZISGHTDTE-CABZTGNLSA-N 1 0 339.348 0.312 10 5 ECBERO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1CCOC ZINC000105791393 436577916 /nfs/dbraw/zinc/57/79/16/436577916.db2.gz WXJAKUUSEVHWTQ-LLVKDONJSA-N 1 0 337.380 0.636 10 5 ECBERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247338057 436793901 /nfs/dbraw/zinc/79/39/01/436793901.db2.gz FXNKYGJVDIOULD-GXTWGEPZSA-N 1 0 339.396 0.533 10 5 ECBERO C[N@@H+]1CCO[C@@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC000301680762 437128690 /nfs/dbraw/zinc/12/86/90/437128690.db2.gz VBFBPAKMIQPOKS-GHMZBOCLSA-N 1 0 331.332 0.122 10 5 ECBERO Cc1c(F)cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000193323218 240108303 /nfs/dbraw/zinc/10/83/03/240108303.db2.gz IEIAKRPJYSUREG-AOOOYVTPSA-N 1 0 329.353 0.882 10 5 ECBERO CO[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261604369 286061079 /nfs/dbraw/zinc/06/10/79/286061079.db2.gz ADIXAGGBCQMCAO-ZJUUUORDSA-N 1 0 347.368 0.861 10 5 ECBERO [NH3+][C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000261667128 165222789 /nfs/dbraw/zinc/22/27/89/165222789.db2.gz GAZAZEQWIGRQFS-IUODEOHRSA-N 1 0 349.391 0.757 10 5 ECBERO C[NH2+][C@@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000262318640 165329679 /nfs/dbraw/zinc/32/96/79/165329679.db2.gz QTGFPXOFAKSLED-SNVBAGLBSA-N 1 0 328.394 0.643 10 5 ECBERO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262338942 165333237 /nfs/dbraw/zinc/33/32/37/165333237.db2.gz SXBJHAOWKLCZJC-CABZTGNLSA-N 1 0 343.767 0.714 10 5 ECBERO Cn1cc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+](C)C)cn1 ZINC000301296143 296885063 /nfs/dbraw/zinc/88/50/63/296885063.db2.gz RTBREPNFTILQMJ-LBPRGKRZSA-N 1 0 333.352 0.537 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000261850459 273971948 /nfs/dbraw/zinc/97/19/48/273971948.db2.gz DKEOMCCVAMOBAD-SNVBAGLBSA-N 1 0 328.394 0.691 10 5 ECBERO CN1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000122795550 436737117 /nfs/dbraw/zinc/73/71/17/436737117.db2.gz WPIPBEQHQAUGNI-SECBINFHSA-N 1 0 330.186 0.831 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000174788077 231311176 /nfs/dbraw/zinc/31/11/76/231311176.db2.gz SJLUGINGFRCISW-JSGCOSHPSA-N 1 0 335.368 0.156 10 5 ECBERO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000246295633 165128540 /nfs/dbraw/zinc/12/85/40/165128540.db2.gz BJNGYZMGQQDJQI-BLLLJJGKSA-N 1 0 348.403 0.846 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000262337513 165332815 /nfs/dbraw/zinc/33/28/15/165332815.db2.gz STPODEAXABUXGU-CPCISQLKSA-N 1 0 344.165 0.667 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262359300 165336034 /nfs/dbraw/zinc/33/60/34/165336034.db2.gz VBJHDNUFIYEKSY-YGRLFVJLSA-N 1 0 331.332 0.091 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262359293 165336490 /nfs/dbraw/zinc/33/64/90/165336490.db2.gz VBJHDNUFIYEKSY-HZMBPMFUSA-N 1 0 331.332 0.091 10 5 ECBERO [NH3+]C[C@@H]1CCCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262555031 165362006 /nfs/dbraw/zinc/36/20/06/165362006.db2.gz WRAZOYFGANZBGR-LBPRGKRZSA-N 1 0 348.359 0.660 10 5 ECBERO Nc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000160088242 225335590 /nfs/dbraw/zinc/33/55/90/225335590.db2.gz MXXQVZCUTGATRY-LLVKDONJSA-N 1 0 340.355 0.893 10 5 ECBERO CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000194639770 263169206 /nfs/dbraw/zinc/16/92/06/263169206.db2.gz BSEQXVWPKCPSGB-ZDUSSCGKSA-N 1 0 334.376 0.925 10 5 ECBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000262013987 278313866 /nfs/dbraw/zinc/31/38/66/278313866.db2.gz WTVAOAFWIIDUTG-NXEZZACHSA-N 1 0 328.394 0.806 10 5 ECBERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000126350201 590438875 /nfs/dbraw/zinc/43/88/75/590438875.db2.gz WRFRZRRJIUKPBX-ZJUUUORDSA-N 1 0 338.389 0.739 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000174784850 231310917 /nfs/dbraw/zinc/31/09/17/231310917.db2.gz IUXCXEBKQFKCQS-OAHLLOKOSA-N 1 0 334.380 0.761 10 5 ECBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000262302843 295234336 /nfs/dbraw/zinc/23/43/36/295234336.db2.gz OVEXLWGKNUXNOE-SECBINFHSA-N 1 0 327.772 0.935 10 5 ECBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000246974438 165148538 /nfs/dbraw/zinc/14/85/38/165148538.db2.gz XXPQQAWTPLBQHT-HIFRSBDPSA-N 1 0 333.348 0.701 10 5 ECBERO C[NH2+][C@@H](C)CNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000261775286 165241849 /nfs/dbraw/zinc/24/18/49/165241849.db2.gz PPAFGXKAKHRYOF-JTQLQIEISA-N 1 0 341.364 0.966 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261770378 289267813 /nfs/dbraw/zinc/26/78/13/289267813.db2.gz VZODNTIXJDRVSS-UHFFFAOYSA-N 1 0 328.394 0.645 10 5 ECBERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075682217 436173991 /nfs/dbraw/zinc/17/39/91/436173991.db2.gz FXNKYGJVDIOULD-JSGCOSHPSA-N 1 0 339.396 0.533 10 5 ECBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262025585 165278810 /nfs/dbraw/zinc/27/88/10/165278810.db2.gz AWMAMRNTBNPDOC-IINYFYTJSA-N 1 0 331.332 0.091 10 5 ECBERO CN(C)S(=O)(=O)c1ccc(NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000262322319 165329482 /nfs/dbraw/zinc/32/94/82/165329482.db2.gz RFFAASCSSMJHNT-NSHDSACASA-N 1 0 328.394 0.994 10 5 ECBERO CC[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246258214 436776042 /nfs/dbraw/zinc/77/60/42/436776042.db2.gz UBPJKAHXFIKLHM-AAEUAGOBSA-N 1 0 336.392 0.975 10 5 ECBERO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261819790 436890909 /nfs/dbraw/zinc/89/09/09/436890909.db2.gz AOHOTBCUSRHNBZ-ZJUUUORDSA-N 1 0 328.394 0.690 10 5 ECBERO C[C@H](CN1CC[NH+](C)CC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301184687 437114814 /nfs/dbraw/zinc/11/48/14/437114814.db2.gz JIWVOIFXEMDCGA-GFCCVEGCSA-N 1 0 346.391 0.651 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000185807883 437450388 /nfs/dbraw/zinc/45/03/88/437450388.db2.gz MHQOZTCHEGLCAT-LBPRGKRZSA-N 1 0 329.378 0.546 10 5 ECBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900174 221009006 /nfs/dbraw/zinc/00/90/06/221009006.db2.gz GAKRELFVZROZNY-GFCCVEGCSA-N 1 0 343.405 0.854 10 5 ECBERO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195319877 165078444 /nfs/dbraw/zinc/07/84/44/165078444.db2.gz WFNDGSDPTKEGCX-CQSZACIVSA-N 1 0 332.360 0.631 10 5 ECBERO C[NH+](C)C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248373877 165172346 /nfs/dbraw/zinc/17/23/46/165172346.db2.gz MECJCEXBECKJQO-KGLIPLIRSA-N 1 0 339.392 0.597 10 5 ECBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000261688617 165226657 /nfs/dbraw/zinc/22/66/57/165226657.db2.gz NLAFEIJOCOVOKM-JTQLQIEISA-N 1 0 332.364 0.762 10 5 ECBERO CNS(=O)(=O)c1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261841759 165251857 /nfs/dbraw/zinc/25/18/57/165251857.db2.gz COAUHFNOKJCCGU-SNVBAGLBSA-N 1 0 328.394 0.914 10 5 ECBERO Cc1nn(CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000116785186 274869343 /nfs/dbraw/zinc/86/93/43/274869343.db2.gz DGYXZCOXKHYVMP-ZDUSSCGKSA-N 1 0 339.396 0.587 10 5 ECBERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000262013989 289780347 /nfs/dbraw/zinc/78/03/47/289780347.db2.gz WTVAOAFWIIDUTG-VHSXEESVSA-N 1 0 328.394 0.806 10 5 ECBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000116791185 436651167 /nfs/dbraw/zinc/65/11/67/436651167.db2.gz PJTXHRQFNQXGMW-SNVBAGLBSA-N 1 0 326.328 0.719 10 5 ECBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159974527 436866706 /nfs/dbraw/zinc/86/67/06/436866706.db2.gz QCJYIVOCNYZUQA-CQSZACIVSA-N 1 0 337.376 0.937 10 5 ECBERO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172502928 609773021 /nfs/dbraw/zinc/77/30/21/609773021.db2.gz LOFHXVIIMIZQGR-GFCCVEGCSA-N 1 0 330.344 0.928 10 5 ECBERO COc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193297684 240096182 /nfs/dbraw/zinc/09/61/82/240096182.db2.gz DHWBRQZHUBUSRW-MRVPVSSYSA-N 1 0 333.341 0.854 10 5 ECBERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000262016400 244762772 /nfs/dbraw/zinc/76/27/72/244762772.db2.gz WDDXSMVTLHGTCS-CVEARBPZSA-N 1 0 343.387 0.990 10 5 ECBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000116900683 221008947 /nfs/dbraw/zinc/00/89/47/221008947.db2.gz KHNGHJFKIWGWIQ-NSHDSACASA-N 1 0 347.368 0.685 10 5 ECBERO CNS(=O)(=O)c1ccc(N2CCC(C[NH2+]C)CC2)c([N+](=O)[O-])c1 ZINC000261825344 277265134 /nfs/dbraw/zinc/26/51/34/277265134.db2.gz XCHURPGBOJIQKO-UHFFFAOYSA-N 1 0 342.421 0.939 10 5 ECBERO Cc1nn(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000116785185 436651279 /nfs/dbraw/zinc/65/12/79/436651279.db2.gz DGYXZCOXKHYVMP-CYBMUJFWSA-N 1 0 339.396 0.587 10 5 ECBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000158960340 436851304 /nfs/dbraw/zinc/85/13/04/436851304.db2.gz UDTPPCBXDVGFLO-SNVBAGLBSA-N 1 0 349.434 0.781 10 5 ECBERO CCOCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000131818445 436857315 /nfs/dbraw/zinc/85/73/15/436857315.db2.gz ZAIQHJQTZLAGTM-AWEZNQCLSA-N 1 0 338.408 0.799 10 5 ECBERO CC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182214144 437342414 /nfs/dbraw/zinc/34/24/14/437342414.db2.gz NLEZJMJSYDFJGA-KBPBESRZSA-N 1 0 337.376 0.935 10 5 ECBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262413385 545947932 /nfs/dbraw/zinc/94/79/32/545947932.db2.gz ZLSDLGJHIMOFKS-BXUZGUMPSA-N 1 0 331.332 0.091 10 5 ECBERO