smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842780 376668492 /nfs/dbraw/zinc/66/84/92/376668492.db2.gz UBJJKBIFWARGBS-WCQYABFASA-N 1 1 345.377 -0.303 20 5 EBBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842780 376668498 /nfs/dbraw/zinc/66/84/98/376668498.db2.gz UBJJKBIFWARGBS-WCQYABFASA-N 1 1 345.377 -0.303 20 5 EBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000478750967 376630100 /nfs/dbraw/zinc/63/01/00/376630100.db2.gz QADROIFJJVWOMJ-ZDUSSCGKSA-N 1 1 335.364 -0.105 20 5 EBBDMO NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842778 376670255 /nfs/dbraw/zinc/67/02/55/376670255.db2.gz UBJJKBIFWARGBS-AAEUAGOBSA-N 1 1 345.377 -0.303 20 5 EBBDMO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842778 376670261 /nfs/dbraw/zinc/67/02/61/376670261.db2.gz UBJJKBIFWARGBS-AAEUAGOBSA-N 1 1 345.377 -0.303 20 5 EBBDMO [NH3+]Cc1nnnn1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000566182523 377491811 /nfs/dbraw/zinc/49/18/11/377491811.db2.gz JWNNJQUTJRFCQL-UHFFFAOYSA-N 1 1 349.307 -0.160 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000566425557 377531300 /nfs/dbraw/zinc/53/13/00/377531300.db2.gz FBXSHMAHKCPAHA-DZGCQCFKSA-N 1 1 339.396 -0.051 20 5 EBBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195982 377801825 /nfs/dbraw/zinc/80/18/25/377801825.db2.gz IVOAOFFGNFJJNG-ADEWGFFLSA-N 1 1 328.325 -0.992 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594604155 377944910 /nfs/dbraw/zinc/94/49/10/377944910.db2.gz SEBJBHVWNCEHQP-VHSXEESVSA-N 1 1 342.377 -0.503 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000075590451 377905703 /nfs/dbraw/zinc/90/57/03/377905703.db2.gz MGXHEEBYESUCML-LSDHHAIUSA-N 1 1 339.396 -0.051 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000075590432 377906183 /nfs/dbraw/zinc/90/61/83/377906183.db2.gz MGXHEEBYESUCML-GJZGRUSLSA-N 1 1 339.396 -0.051 20 5 EBBDMO COc1cc(CCNc2nc(N)nc(N)[nH+]2)c([N+](=O)[O-])cc1OC ZINC000599018534 378195698 /nfs/dbraw/zinc/19/56/98/378195698.db2.gz XWJSZSBEWZFFFY-UHFFFAOYSA-N 1 1 335.324 -0.301 20 5 EBBDMO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000599243752 378207334 /nfs/dbraw/zinc/20/73/34/378207334.db2.gz LCPMQDWFGQCIDB-JTQLQIEISA-N 1 1 346.413 -0.758 20 5 EBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873713 379381632 /nfs/dbraw/zinc/38/16/32/379381632.db2.gz RAUYFDIBXLBMKA-ZDUSSCGKSA-N 1 1 336.396 -0.004 20 5 EBBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249397111 379357245 /nfs/dbraw/zinc/35/72/45/379357245.db2.gz RVDSFHAQAPHKDX-GXTWGEPZSA-N 1 1 341.412 -0.071 20 5 EBBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000350004286 379443510 /nfs/dbraw/zinc/44/35/10/379443510.db2.gz CITAUMATLICNKN-UHFFFAOYSA-N 1 1 336.352 -0.488 20 5 EBBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982129 379651203 /nfs/dbraw/zinc/65/12/03/379651203.db2.gz MXPJFKMDKWLNQM-VHDGCEQUSA-N 1 1 339.396 -0.053 20 5 EBBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000194361742 381058477 /nfs/dbraw/zinc/05/84/77/381058477.db2.gz OTAUZVOALSRTQU-ZDUSSCGKSA-N 1 1 325.365 -0.056 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)c1 ZINC000584409054 381128762 /nfs/dbraw/zinc/12/87/62/381128762.db2.gz ALKZVNJPMRQVKT-KBPBESRZSA-N 1 1 327.385 -0.411 20 5 EBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458573006 381294424 /nfs/dbraw/zinc/29/44/24/381294424.db2.gz RPUOLSHZOXMJPY-LBPRGKRZSA-N 1 1 340.384 -0.063 20 5 EBBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000357637767 157162873 /nfs/dbraw/zinc/16/28/73/157162873.db2.gz IVCWGBNMGGMYFW-LBPRGKRZSA-N 1 1 338.364 -0.017 20 5 EBBDMO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000175525588 419112144 /nfs/dbraw/zinc/11/21/44/419112144.db2.gz OFOLKRAOCIZWPI-PWSUYJOCSA-N 1 1 332.382 -0.339 20 5 EBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000175525588 419112148 /nfs/dbraw/zinc/11/21/48/419112148.db2.gz OFOLKRAOCIZWPI-PWSUYJOCSA-N 1 1 332.382 -0.339 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413914710 419320328 /nfs/dbraw/zinc/32/03/28/419320328.db2.gz GWDGFQLWRDIHPF-SECBINFHSA-N 1 1 325.325 -0.197 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413914710 419320331 /nfs/dbraw/zinc/32/03/31/419320331.db2.gz GWDGFQLWRDIHPF-SECBINFHSA-N 1 1 325.325 -0.197 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413914710 419320334 /nfs/dbraw/zinc/32/03/34/419320334.db2.gz GWDGFQLWRDIHPF-SECBINFHSA-N 1 1 325.325 -0.197 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413914710 419320335 /nfs/dbraw/zinc/32/03/35/419320335.db2.gz GWDGFQLWRDIHPF-SECBINFHSA-N 1 1 325.325 -0.197 20 5 EBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531664678 420927626 /nfs/dbraw/zinc/92/76/26/420927626.db2.gz KDRUFCAVSIVGFC-RYUDHWBXSA-N 1 1 338.368 -0.054 20 5 EBBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273499483 277102351 /nfs/dbraw/zinc/10/23/51/277102351.db2.gz RKBMSNJDLYUBAK-JTQLQIEISA-N 1 1 343.409 -0.100 20 5 EBBDMO C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCOCC1 ZINC000359799862 279150979 /nfs/dbraw/zinc/15/09/79/279150979.db2.gz TZJDPYOTZNCMIP-CQSZACIVSA-N 1 1 339.352 -0.615 20 5 EBBDMO C[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000005879263 523873089 /nfs/dbraw/zinc/87/30/89/523873089.db2.gz LNTHDZMAMJYEGT-UHFFFAOYSA-N 1 1 332.316 -0.035 20 5 EBBDMO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(C)(=O)=O ZINC000247345892 582552448 /nfs/dbraw/zinc/55/24/48/582552448.db2.gz GJAOUAGOWLYJSM-PWSUYJOCSA-N 1 1 334.398 -0.093 20 5 EBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(C)(=O)=O ZINC000247345892 582552450 /nfs/dbraw/zinc/55/24/50/582552450.db2.gz GJAOUAGOWLYJSM-PWSUYJOCSA-N 1 1 334.398 -0.093 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000754081509 583165902 /nfs/dbraw/zinc/16/59/02/583165902.db2.gz GXQIQDYIMYSUGU-NSHDSACASA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000754081509 583165905 /nfs/dbraw/zinc/16/59/05/583165905.db2.gz GXQIQDYIMYSUGU-NSHDSACASA-N 1 1 342.377 -0.237 20 5 EBBDMO COCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000949091752 653594452 /nfs/dbraw/zinc/59/44/52/653594452.db2.gz DJIGKIWZBJKJCV-CHWSQXEVSA-N 1 1 327.381 -0.009 20 5 EBBDMO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246842983 803758970 /nfs/dbraw/zinc/75/89/70/803758970.db2.gz QLKNAFQFDDDJKD-TZMCWYRMSA-N 1 1 325.369 -0.048 20 5 EBBDMO O=C(CO[C@@H]1CCc2[nH+]ccn2C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224799343 811776416 /nfs/dbraw/zinc/77/64/16/811776416.db2.gz JRMHPMMSONBHPZ-SECBINFHSA-N 1 1 325.281 -0.694 20 5 EBBDMO O=C(NCC=CC[NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001268543170 814283208 /nfs/dbraw/zinc/28/32/08/814283208.db2.gz UEKYOPFIQFMVGB-JZIZGNRHSA-N 1 1 346.347 -0.550 20 5 EBBDMO CCNC(=O)CC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001269402997 814676037 /nfs/dbraw/zinc/67/60/37/814676037.db2.gz RIBMQNGJFPIFMP-UHFFFAOYSA-N 1 1 338.368 -0.407 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnc2n1CCC2 ZINC001129759213 828665141 /nfs/dbraw/zinc/66/51/41/828665141.db2.gz AZQWSHFNPIEQJV-UHFFFAOYSA-N 1 1 333.352 -0.009 20 5 EBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCc1cccs1 ZINC001126939245 828234948 /nfs/dbraw/zinc/23/49/48/828234948.db2.gz UCOWAHIQAMTROC-VXGBXAGGSA-N 1 1 340.405 -0.222 20 5 EBBDMO COc1cnc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nc1 ZINC001131122155 829047518 /nfs/dbraw/zinc/04/75/18/829047518.db2.gz OPSAOUXCQKGACI-UHFFFAOYSA-N 1 1 335.324 -0.354 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001133998077 829711231 /nfs/dbraw/zinc/71/12/31/829711231.db2.gz PKQJXZFDGDDNML-UHFFFAOYSA-N 1 1 344.335 -0.109 20 5 EBBDMO CCn1nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1=O ZINC001135483358 829975891 /nfs/dbraw/zinc/97/58/91/829975891.db2.gz ZNVAGMYHMPEXOL-UHFFFAOYSA-N 1 1 349.351 -0.576 20 5 EBBDMO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001136875037 830091143 /nfs/dbraw/zinc/09/11/43/830091143.db2.gz WQSUCIFEGFHFRU-NWDGAFQWSA-N 1 1 337.380 -0.493 20 5 EBBDMO CC(=O)N(C)CCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001149259705 830627807 /nfs/dbraw/zinc/62/78/07/830627807.db2.gz BVLJIFORBDIDOE-UHFFFAOYSA-N 1 1 340.384 -0.207 20 5 EBBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCCN2CC[NH2+]CC2=O)n1 ZINC001161024330 831914328 /nfs/dbraw/zinc/91/43/28/831914328.db2.gz BFYFDWHBPQYMHE-UHFFFAOYSA-N 1 1 337.340 -0.505 20 5 EBBDMO COc1cc2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2cc1[N+](=O)[O-] ZINC001162441187 832042543 /nfs/dbraw/zinc/04/25/43/832042543.db2.gz XINNQJYWJLZVHZ-OBJOEFQTSA-N 1 1 346.351 -0.957 20 5 EBBDMO CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C)CC1 ZINC001351735925 832275529 /nfs/dbraw/zinc/27/55/29/832275529.db2.gz VMQXEVZUFMAERT-AWEZNQCLSA-N 1 1 326.401 -0.669 20 5 EBBDMO CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C)CC1 ZINC001351735925 832275536 /nfs/dbraw/zinc/27/55/36/832275536.db2.gz VMQXEVZUFMAERT-AWEZNQCLSA-N 1 1 326.401 -0.669 20 5 EBBDMO Cc1cc(OCC(=O)NC[C@@]2(CO)COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001171661987 832570852 /nfs/dbraw/zinc/57/08/52/832570852.db2.gz JVDRSFMXWIEYFF-OAHLLOKOSA-N 1 1 339.348 -0.251 20 5 EBBDMO C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CCOCCO ZINC001175823717 832646646 /nfs/dbraw/zinc/64/66/46/832646646.db2.gz YIKRZGBOQVIPCG-UHFFFAOYSA-N 1 1 344.343 -0.013 20 5 EBBDMO COc1ccc(S(=O)(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC001213684473 837840102 /nfs/dbraw/zinc/84/01/02/837840102.db2.gz BOHBUIUJTAWXTF-UHFFFAOYSA-N 1 1 333.366 -0.194 20 5 EBBDMO COc1ccc(S(=O)(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC001213684473 837840112 /nfs/dbraw/zinc/84/01/12/837840112.db2.gz BOHBUIUJTAWXTF-UHFFFAOYSA-N 1 1 333.366 -0.194 20 5 EBBDMO CN1CC[NH+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001339082770 842892141 /nfs/dbraw/zinc/89/21/41/842892141.db2.gz MRIXZPBVJSSKRM-UHFFFAOYSA-N 1 1 325.373 -0.672 20 5 EBBDMO Cn1cnn(CC(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1=O ZINC001480881973 1125803287 /nfs/dbraw/zinc/80/32/87/1125803287.db2.gz AQOLGUZUCVHTQA-UHFFFAOYSA-N 1 1 348.363 -0.262 20 5 EBBDMO Cn1cnn(CC(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1=O ZINC001480881973 1125803289 /nfs/dbraw/zinc/80/32/89/1125803289.db2.gz AQOLGUZUCVHTQA-UHFFFAOYSA-N 1 1 348.363 -0.262 20 5 EBBDMO O=C1NC(=O)[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]12 ZINC000451638393 376604593 /nfs/dbraw/zinc/60/45/93/376604593.db2.gz ZHZBAUXKELYSJF-XQQFMLRXSA-N 1 1 344.327 -0.096 20 5 EBBDMO COC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354701 376653994 /nfs/dbraw/zinc/65/39/94/376653994.db2.gz BYKMMISXTGGWPQ-DGCLKSJQSA-N 1 1 327.337 -0.233 20 5 EBBDMO COC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354701 376654004 /nfs/dbraw/zinc/65/40/04/376654004.db2.gz BYKMMISXTGGWPQ-DGCLKSJQSA-N 1 1 327.337 -0.233 20 5 EBBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000614920067 377165145 /nfs/dbraw/zinc/16/51/45/377165145.db2.gz CQIUZPMUAAJBOV-ZDUSSCGKSA-N 1 1 327.385 -0.459 20 5 EBBDMO CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000614920067 377165157 /nfs/dbraw/zinc/16/51/57/377165157.db2.gz CQIUZPMUAAJBOV-ZDUSSCGKSA-N 1 1 327.385 -0.459 20 5 EBBDMO CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000614920067 377165166 /nfs/dbraw/zinc/16/51/66/377165166.db2.gz CQIUZPMUAAJBOV-ZDUSSCGKSA-N 1 1 327.385 -0.459 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000566425562 377531461 /nfs/dbraw/zinc/53/14/61/377531461.db2.gz FBXSHMAHKCPAHA-ZFWWWQNUSA-N 1 1 339.396 -0.051 20 5 EBBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592195136 377802328 /nfs/dbraw/zinc/80/23/28/377802328.db2.gz JIWWVNGWOXGMAC-JQWIXIFHSA-N 1 1 325.321 -0.388 20 5 EBBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592195139 377802683 /nfs/dbraw/zinc/80/26/83/377802683.db2.gz JIWWVNGWOXGMAC-ZYHUDNBSSA-N 1 1 325.321 -0.388 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)cc1[N+](=O)[O-] ZINC000596192618 378053862 /nfs/dbraw/zinc/05/38/62/378053862.db2.gz FRFUFPSBTLMFNH-LLVKDONJSA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)cc1[N+](=O)[O-] 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/nfs/dbraw/zinc/28/22/26/831282226.db2.gz OWTPALSRTDRXRS-BRWVUGGUSA-N 1 1 349.398 -0.084 20 5 EBBDMO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001155251444 831395413 /nfs/dbraw/zinc/39/54/13/831395413.db2.gz ODAFKCZNPKWEPX-UHFFFAOYSA-N 1 1 345.377 -0.348 20 5 EBBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001155251444 831395416 /nfs/dbraw/zinc/39/54/16/831395416.db2.gz ODAFKCZNPKWEPX-UHFFFAOYSA-N 1 1 345.377 -0.348 20 5 EBBDMO Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001159293675 831736174 /nfs/dbraw/zinc/73/61/74/831736174.db2.gz MNRFATQNAUFGGM-UHFFFAOYSA-N 1 1 348.367 -0.505 20 5 EBBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)C[C@H]2CO)c(C)c1[N+](=O)[O-] ZINC001168536824 832425717 /nfs/dbraw/zinc/42/57/17/832425717.db2.gz CRIWWNWLOREVHI-LBPRGKRZSA-N 1 1 325.369 -0.067 20 5 EBBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)C[C@H]2CO)c(C)c1[N+](=O)[O-] ZINC001168536824 832425719 /nfs/dbraw/zinc/42/57/19/832425719.db2.gz CRIWWNWLOREVHI-LBPRGKRZSA-N 1 1 325.369 -0.067 20 5 EBBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001170478792 832508274 /nfs/dbraw/zinc/50/82/74/832508274.db2.gz GAUWNDFYUYQBJI-RYUDHWBXSA-N 1 1 327.341 -0.075 20 5 EBBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001195279074 835208576 /nfs/dbraw/zinc/20/85/76/835208576.db2.gz MMKIFHGIBYCDOU-YRGRVCCFSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1CCO ZINC001195279074 835208585 /nfs/dbraw/zinc/20/85/85/835208585.db2.gz MMKIFHGIBYCDOU-YRGRVCCFSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1CCO ZINC001195279074 835208593 /nfs/dbraw/zinc/20/85/93/835208593.db2.gz MMKIFHGIBYCDOU-YRGRVCCFSA-N 1 1 327.385 -0.461 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC001335344828 842265488 /nfs/dbraw/zinc/26/54/88/842265488.db2.gz GWTAZAYSWMVENA-ZDUSSCGKSA-N 1 1 344.335 -0.082 20 5 EBBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001340016214 842963727 /nfs/dbraw/zinc/96/37/27/842963727.db2.gz MFBSVDWESYLLFN-NSHDSACASA-N 1 1 336.352 -0.128 20 5 EBBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001343184528 843204577 /nfs/dbraw/zinc/20/45/77/843204577.db2.gz RCUKKNBDUIUZTR-NEPJUHHUSA-N 1 1 340.384 -0.217 20 5 EBBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001343184528 843204586 /nfs/dbraw/zinc/20/45/86/843204586.db2.gz RCUKKNBDUIUZTR-NEPJUHHUSA-N 1 1 340.384 -0.217 20 5 EBBDMO CC[N@@H+](C)CCC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001487405052 1127491558 /nfs/dbraw/zinc/49/15/58/1127491558.db2.gz HSYITWQFELHQAK-UHFFFAOYSA-N 1 1 325.373 -0.139 20 5 EBBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001093157455 1128298161 /nfs/dbraw/zinc/29/81/61/1128298161.db2.gz GJGKOZSCBYDRQF-UHFFFAOYSA-N 1 1 337.384 -0.044 20 5 EBBDMO CN(CCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc[nH+]cc1 ZINC001491282700 1130383247 /nfs/dbraw/zinc/38/32/47/1130383247.db2.gz KIWJCPKYIDHLDY-CHWSQXEVSA-N 1 1 335.364 -0.195 20 5 EBBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O ZINC000577527732 375874566 /nfs/dbraw/zinc/87/45/66/375874566.db2.gz ASFHZQZBFOJZJN-NSHDSACASA-N 1 1 343.336 -0.518 20 5 EBBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000609269562 375975651 /nfs/dbraw/zinc/97/56/51/375975651.db2.gz UBYHUMCDHDMGRL-LBPRGKRZSA-N 1 1 338.364 -0.017 20 5 EBBDMO COc1ccc(OCC[N@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000285241940 376349844 /nfs/dbraw/zinc/34/98/44/376349844.db2.gz YPWPYKNIJATZET-CQSZACIVSA-N 1 1 325.321 -0.096 20 5 EBBDMO CCn1cc(S(=O)(=O)[N-]C[C@H]2CN(C)CCN2C)c([N+](=O)[O-])n1 ZINC000339043878 376636650 /nfs/dbraw/zinc/63/66/50/376636650.db2.gz YOQMJGJTXYBOSF-JTQLQIEISA-N 1 1 346.413 -0.665 20 5 EBBDMO CS(=O)(=O)NCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000340215705 376700700 /nfs/dbraw/zinc/70/07/00/376700700.db2.gz YHGJUQAIVYBULT-GFCCVEGCSA-N 1 1 347.397 -0.834 20 5 EBBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000340548447 377000840 /nfs/dbraw/zinc/00/08/40/377000840.db2.gz RDRMAJYGECPHCV-UHFFFAOYSA-N 1 1 338.320 -0.683 20 5 EBBDMO O=C(NCCN1CCN(c2ncccn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136682781 377199908 /nfs/dbraw/zinc/19/99/08/377199908.db2.gz VSEJKPTYXGYTQQ-UHFFFAOYSA-N 1 1 346.351 -0.340 20 5 EBBDMO COCC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000599097018 378197119 /nfs/dbraw/zinc/19/71/19/378197119.db2.gz ARDZDGRJYMNIHQ-UHFFFAOYSA-N 1 1 347.397 -0.377 20 5 EBBDMO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256202 378214582 /nfs/dbraw/zinc/21/45/82/378214582.db2.gz WMGPNVJTROQTQD-JTQLQIEISA-N 1 1 349.413 -0.037 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000599509694 378257182 /nfs/dbraw/zinc/25/71/82/378257182.db2.gz OTYYFZHEBANEHP-GFCCVEGCSA-N 1 1 334.340 -0.841 20 5 EBBDMO [NH3+]Cc1noc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000567849714 378259067 /nfs/dbraw/zinc/25/90/67/378259067.db2.gz ASFMDMLYBVUCTN-UHFFFAOYSA-N 1 1 327.322 -0.043 20 5 EBBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000274064879 379240538 /nfs/dbraw/zinc/24/05/38/379240538.db2.gz UHJPGHNDPMAYBC-AAEUAGOBSA-N 1 1 338.368 -0.312 20 5 EBBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000471768103 379526284 /nfs/dbraw/zinc/52/62/84/379526284.db2.gz JZHLKPGOOMQFGX-SNVBAGLBSA-N 1 1 340.340 -0.718 20 5 EBBDMO CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600230663 379637645 /nfs/dbraw/zinc/63/76/45/379637645.db2.gz AUPZAHKGSBJRGC-CQSZACIVSA-N 1 1 339.352 -0.337 20 5 EBBDMO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC000600230663 379637652 /nfs/dbraw/zinc/63/76/52/379637652.db2.gz AUPZAHKGSBJRGC-CQSZACIVSA-N 1 1 339.352 -0.337 20 5 EBBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000353422941 379693447 /nfs/dbraw/zinc/69/34/47/379693447.db2.gz BWCBWLUZNNUAJG-UHFFFAOYSA-N 1 1 336.352 -0.534 20 5 EBBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000271748745 379762745 /nfs/dbraw/zinc/76/27/45/379762745.db2.gz RVPBXTOVSOBRIH-LLVKDONJSA-N 1 1 339.352 -0.113 20 5 EBBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000271748745 379762747 /nfs/dbraw/zinc/76/27/47/379762747.db2.gz RVPBXTOVSOBRIH-LLVKDONJSA-N 1 1 339.352 -0.113 20 5 EBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)CN1CCOCC1 ZINC000090552025 379837762 /nfs/dbraw/zinc/83/77/62/379837762.db2.gz QGWBVSPEEXANQJ-AWEZNQCLSA-N 1 1 340.380 -0.619 20 5 EBBDMO COCC[N@H+]1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000269069901 380213306 /nfs/dbraw/zinc/21/33/06/380213306.db2.gz ZBVZIOBDUPHWJX-NSHDSACASA-N 1 1 326.357 -0.189 20 5 EBBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000575944123 381321017 /nfs/dbraw/zinc/32/10/17/381321017.db2.gz XTHOZQQBPFUFQI-UHFFFAOYSA-N 1 1 337.336 -0.411 20 5 EBBDMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266518938 154348042 /nfs/dbraw/zinc/34/80/42/154348042.db2.gz HQMDSSAENMZINP-GFCCVEGCSA-N 1 1 329.357 -0.811 20 5 EBBDMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266518938 154348045 /nfs/dbraw/zinc/34/80/45/154348045.db2.gz HQMDSSAENMZINP-GFCCVEGCSA-N 1 1 329.357 -0.811 20 5 EBBDMO Cn1nncc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000267513629 154378647 /nfs/dbraw/zinc/37/86/47/154378647.db2.gz LBMPBQBOHXIQLH-UHFFFAOYSA-N 1 1 340.365 -0.209 20 5 EBBDMO CC[NH+]1CCN(C(=O)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290533013 155005865 /nfs/dbraw/zinc/00/58/65/155005865.db2.gz HOVXHAJDNNYLKU-UHFFFAOYSA-N 1 1 336.352 -0.335 20 5 EBBDMO CNS(=O)(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000291068629 155013838 /nfs/dbraw/zinc/01/38/38/155013838.db2.gz DVBLZYFBFSJPHM-UHFFFAOYSA-N 1 1 332.386 -0.691 20 5 EBBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292244723 155030174 /nfs/dbraw/zinc/03/01/74/155030174.db2.gz QMVJZCNGPWMUPT-NSHDSACASA-N 1 1 344.393 -0.278 20 5 EBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292244723 155030177 /nfs/dbraw/zinc/03/01/77/155030177.db2.gz QMVJZCNGPWMUPT-NSHDSACASA-N 1 1 344.393 -0.278 20 5 EBBDMO C[NH+]1CCN(C(=O)C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000298739353 155117045 /nfs/dbraw/zinc/11/70/45/155117045.db2.gz RTFPMBBCQLAGNB-UHFFFAOYSA-N 1 1 349.395 -0.043 20 5 EBBDMO C[C@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+]1CCOCC1 ZINC000345042962 156297903 /nfs/dbraw/zinc/29/79/03/156297903.db2.gz DJVOLYPQSBZPQE-HNNXBMFYSA-N 1 1 338.364 -0.010 20 5 EBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000358069538 157206367 /nfs/dbraw/zinc/20/63/67/157206367.db2.gz TUPFPBBXZAFDSG-OAHLLOKOSA-N 1 1 346.347 -0.028 20 5 EBBDMO COc1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358195839 157227287 /nfs/dbraw/zinc/22/72/87/157227287.db2.gz KGAJWLDYPZCMSZ-CYBMUJFWSA-N 1 1 345.377 -0.052 20 5 EBBDMO CCn1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000358215186 157228704 /nfs/dbraw/zinc/22/87/04/157228704.db2.gz RKXXBLKVLXEQDM-NSHDSACASA-N 1 1 333.370 -0.844 20 5 EBBDMO COc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358212678 157229466 /nfs/dbraw/zinc/22/94/66/157229466.db2.gz NJXNHQFRVZKKIO-CYBMUJFWSA-N 1 1 345.377 -0.052 20 5 EBBDMO COC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000339354003 419053229 /nfs/dbraw/zinc/05/32/29/419053229.db2.gz JWMZNQUAZVFDNI-ZYHUDNBSSA-N 1 1 327.337 -0.233 20 5 EBBDMO COC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000339354003 419053234 /nfs/dbraw/zinc/05/32/34/419053234.db2.gz JWMZNQUAZVFDNI-ZYHUDNBSSA-N 1 1 327.337 -0.233 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000362620786 419057323 /nfs/dbraw/zinc/05/73/23/419057323.db2.gz ICMRCOGYQAHAMR-UHFFFAOYSA-N 1 1 344.393 -0.253 20 5 EBBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000416293032 419860587 /nfs/dbraw/zinc/86/05/87/419860587.db2.gz JHAHSDLWEALJIE-RYUDHWBXSA-N 1 1 338.364 -0.330 20 5 EBBDMO CNc1nccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599938706 421220610 /nfs/dbraw/zinc/22/06/10/421220610.db2.gz FDFGTZYZVDDVFH-MNOVXSKESA-N 1 1 335.364 0.313 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000583943630 421220797 /nfs/dbraw/zinc/22/07/97/421220797.db2.gz PKVYHYHEZAPHAE-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000583943630 421220798 /nfs/dbraw/zinc/22/07/98/421220798.db2.gz PKVYHYHEZAPHAE-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 EBBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711689 265212280 /nfs/dbraw/zinc/21/22/80/265212280.db2.gz QSMMGDGPNLDQJD-TZMCWYRMSA-N 1 1 327.385 -0.195 20 5 EBBDMO C[C@@H](O)C[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000436461363 265239224 /nfs/dbraw/zinc/23/92/24/265239224.db2.gz XSISEGFESNTDRR-SNVBAGLBSA-N 1 1 344.393 -0.255 20 5 EBBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000518927270 272891265 /nfs/dbraw/zinc/89/12/65/272891265.db2.gz BFJIAMIGZIBOKL-SNVBAGLBSA-N 1 1 343.409 -0.100 20 5 EBBDMO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420407524 545992829 /nfs/dbraw/zinc/99/28/29/545992829.db2.gz UMALEYOGEPEYEV-UHFFFAOYSA-N 1 1 329.334 -0.025 20 5 EBBDMO C[N@H+](CC(=O)NCc1ccco1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743839906 583087935 /nfs/dbraw/zinc/08/79/35/583087935.db2.gz JEKAEZHTVCCDCZ-LBPRGKRZSA-N 1 1 337.336 -0.007 20 5 EBBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000913305439 650231058 /nfs/dbraw/zinc/23/10/58/650231058.db2.gz QZDXKYVHALUJNB-LLVKDONJSA-N 1 1 339.352 -0.113 20 5 EBBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000919380014 650300401 /nfs/dbraw/zinc/30/04/01/650300401.db2.gz XOHHKKYZOAPNSN-NSHDSACASA-N 1 1 339.352 -0.113 20 5 EBBDMO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931404358 651631419 /nfs/dbraw/zinc/63/14/19/651631419.db2.gz WXLUAKQUHBBALE-STQMWFEESA-N 1 1 325.365 -0.057 20 5 EBBDMO C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931404358 651631422 /nfs/dbraw/zinc/63/14/22/651631422.db2.gz WXLUAKQUHBBALE-STQMWFEESA-N 1 1 325.365 -0.057 20 5 EBBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000933103722 651713138 /nfs/dbraw/zinc/71/31/38/651713138.db2.gz HCKPRKWRXKCJEG-ZDUSSCGKSA-N 1 1 326.378 -0.029 20 5 EBBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000933103722 651713141 /nfs/dbraw/zinc/71/31/41/651713141.db2.gz HCKPRKWRXKCJEG-ZDUSSCGKSA-N 1 1 326.378 -0.029 20 5 EBBDMO Cn1ncnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000963786669 723486403 /nfs/dbraw/zinc/48/64/03/723486403.db2.gz FEVDNVFLFWTJMA-ZQUIDFRUSA-N 1 1 334.380 -0.003 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC000969429884 725179695 /nfs/dbraw/zinc/17/96/95/725179695.db2.gz PTUIXJXZAWIVGA-XJFOESAGSA-N 1 1 348.403 -0.051 20 5 EBBDMO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001044251571 733340379 /nfs/dbraw/zinc/34/03/79/733340379.db2.gz NEZLVENSDADXGL-VXGBXAGGSA-N 1 1 342.396 -0.927 20 5 EBBDMO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050326275 734886840 /nfs/dbraw/zinc/88/68/40/734886840.db2.gz VPQQLEYPJLHVRB-DDHJBXDOSA-N 1 1 337.384 -0.360 20 5 EBBDMO C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062990773 739039316 /nfs/dbraw/zinc/03/93/16/739039316.db2.gz PXSWKNUFXUXIJG-VXGBXAGGSA-N 1 1 342.396 -0.615 20 5 EBBDMO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001072721279 741465903 /nfs/dbraw/zinc/46/59/03/741465903.db2.gz LISRHLCIPBIMRG-CHWSQXEVSA-N 1 1 336.392 -0.192 20 5 EBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001253411376 812679308 /nfs/dbraw/zinc/67/93/08/812679308.db2.gz ICINOUMMEJCRGL-RYUDHWBXSA-N 1 1 336.348 -0.264 20 5 EBBDMO CN(CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O ZINC001264666364 813198828 /nfs/dbraw/zinc/19/88/28/813198828.db2.gz NVCVCXFAFOUWOA-UHFFFAOYSA-N 1 1 338.364 -0.013 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001086413758 816324409 /nfs/dbraw/zinc/32/44/09/816324409.db2.gz VYTUYYMQHNUDTR-KYZUINATSA-N 1 1 334.340 -0.255 20 5 EBBDMO CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365993 819152424 /nfs/dbraw/zinc/15/24/24/819152424.db2.gz TUPYRCRTORYBRA-CHWSQXEVSA-N 1 1 342.396 -0.927 20 5 EBBDMO CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365993 819152428 /nfs/dbraw/zinc/15/24/28/819152428.db2.gz TUPYRCRTORYBRA-CHWSQXEVSA-N 1 1 342.396 -0.927 20 5 EBBDMO CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365993 819152432 /nfs/dbraw/zinc/15/24/32/819152432.db2.gz TUPYRCRTORYBRA-CHWSQXEVSA-N 1 1 342.396 -0.927 20 5 EBBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CCOCC1 ZINC001317075854 821994977 /nfs/dbraw/zinc/99/49/77/821994977.db2.gz HHMPBPVTRAWGAY-FDYHWXHSSA-N 1 1 340.380 -0.816 20 5 EBBDMO CCN1CC[NH+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001317997664 822243446 /nfs/dbraw/zinc/24/34/46/822243446.db2.gz OJCSRBYPDUPGNZ-UHFFFAOYSA-N 1 1 325.373 -0.670 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128875036 828542960 /nfs/dbraw/zinc/54/29/60/828542960.db2.gz LWVLZTYCNCMGMI-UHFFFAOYSA-N 1 1 345.323 -0.486 20 5 EBBDMO CC(C)n1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943098 828235001 /nfs/dbraw/zinc/23/50/01/828235001.db2.gz KYQFPFQQZYAFMM-GHMZBOCLSA-N 1 1 338.368 -0.227 20 5 EBBDMO COc1nn(C)cc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132280582 829406253 /nfs/dbraw/zinc/40/62/53/829406253.db2.gz OVHUHKALCSABFN-UHFFFAOYSA-N 1 1 337.340 -0.410 20 5 EBBDMO Cn1cc(OCC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC001132961014 829563011 /nfs/dbraw/zinc/56/30/11/829563011.db2.gz DTQFGYKGUQDLBD-UHFFFAOYSA-N 1 1 337.340 -0.653 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001150753213 830977959 /nfs/dbraw/zinc/97/79/59/830977959.db2.gz IATYJVSZXODTFR-UHFFFAOYSA-N 1 1 346.347 -0.053 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151354010 831059848 /nfs/dbraw/zinc/05/98/48/831059848.db2.gz INTDHHKPQCNRAK-UHFFFAOYSA-N 1 1 338.368 -0.453 20 5 EBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001151817207 831115214 /nfs/dbraw/zinc/11/52/14/831115214.db2.gz MGWRYHYGVGLFMZ-AWEZNQCLSA-N 1 1 339.304 -0.596 20 5 EBBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001151816520 831115686 /nfs/dbraw/zinc/11/56/86/831115686.db2.gz CHAANSWAXRGFPZ-CQSZACIVSA-N 1 1 325.321 -0.316 20 5 EBBDMO COc1cccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1[N+](=O)[O-] ZINC001151816642 831115697 /nfs/dbraw/zinc/11/56/97/831115697.db2.gz CVAXZHKETUYQED-CQSZACIVSA-N 1 1 325.321 -0.316 20 5 EBBDMO CCn1nc(C)c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001153751987 831265857 /nfs/dbraw/zinc/26/58/57/831265857.db2.gz CJPQINLMJZYNIL-UHFFFAOYSA-N 1 1 336.356 -0.232 20 5 EBBDMO CC(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775574 831593144 /nfs/dbraw/zinc/59/31/44/831593144.db2.gz QYXRYUDJRUONHM-VXGBXAGGSA-N 1 1 335.426 -0.039 20 5 EBBDMO [NH3+][C@@H]1NCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]2NCN[C@H]21 ZINC001162439501 832041712 /nfs/dbraw/zinc/04/17/12/832041712.db2.gz LZLOJARZZQPKIK-SFGNSQDASA-N 1 1 349.729 -0.315 20 5 EBBDMO [NH3+][C@@H]1NCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)[C@H]2NCN[C@H]21 ZINC001162449672 832046155 /nfs/dbraw/zinc/04/61/55/832046155.db2.gz WVKUXWQAWWXURY-RRFJBIMHSA-N 1 1 342.363 -0.451 20 5 EBBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169026637 832443932 /nfs/dbraw/zinc/44/39/32/832443932.db2.gz YFUDWCJIKOLSDZ-DGAVXFQQSA-N 1 1 326.397 -0.437 20 5 EBBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001170478790 832508187 /nfs/dbraw/zinc/50/81/87/832508187.db2.gz GAUWNDFYUYQBJI-NEPJUHHUSA-N 1 1 327.341 -0.075 20 5 EBBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@]1(CO)COCC[NH2+]1 ZINC001171662196 832570598 /nfs/dbraw/zinc/57/05/98/832570598.db2.gz PZCFOEYJHLASPV-AWEZNQCLSA-N 1 1 325.321 -0.559 20 5 EBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001320329245 838757974 /nfs/dbraw/zinc/75/79/74/838757974.db2.gz DYFZPPRCZLYBBP-NSHDSACASA-N 1 1 326.357 -0.461 20 5 EBBDMO CN1CCN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001335338397 842262168 /nfs/dbraw/zinc/26/21/68/842262168.db2.gz RSFHZJLGSHSDFC-AWEZNQCLSA-N 1 1 326.401 -0.621 20 5 EBBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[NH2+][C@H](C(N)=O)C2)s1 ZINC001337590796 842640925 /nfs/dbraw/zinc/64/09/25/842640925.db2.gz KWYAAFIDAJWDPG-LURJTMIESA-N 1 1 334.379 -0.677 20 5 EBBDMO COc1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC001648863836 1125802377 /nfs/dbraw/zinc/80/23/77/1125802377.db2.gz NJBNETLWKJJNOP-HNNXBMFYSA-N 1 1 339.348 -0.007 20 5 EBBDMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001480948185 1125889688 /nfs/dbraw/zinc/88/96/88/1125889688.db2.gz XFOROSQRGDZGRY-UHFFFAOYSA-N 1 1 344.393 -0.308 20 5 EBBDMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001480948185 1125889689 /nfs/dbraw/zinc/88/96/89/1125889689.db2.gz XFOROSQRGDZGRY-UHFFFAOYSA-N 1 1 344.393 -0.308 20 5 EBBDMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1)NC1CC1 ZINC001484862592 1126646880 /nfs/dbraw/zinc/64/68/80/1126646880.db2.gz JJMJJPNWARPZIE-VXGBXAGGSA-N 1 1 340.380 -0.815 20 5 EBBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000286017518 375927527 /nfs/dbraw/zinc/92/75/27/375927527.db2.gz 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CN1CC[N@@H+](C)C[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000590577799 377637841 /nfs/dbraw/zinc/63/78/41/377637841.db2.gz IYZORMDACAPIJN-LLVKDONJSA-N 1 1 343.409 -0.100 20 5 EBBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592388859 377824588 /nfs/dbraw/zinc/82/45/88/377824588.db2.gz OVSOITQEMOACKL-VIFPVBQESA-N 1 1 344.349 -0.485 20 5 EBBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477362 377940555 /nfs/dbraw/zinc/94/05/55/377940555.db2.gz CDIMZTOUKGPPTG-VHSXEESVSA-N 1 1 328.350 -0.571 20 5 EBBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477362 377940559 /nfs/dbraw/zinc/94/05/59/377940559.db2.gz CDIMZTOUKGPPTG-VHSXEESVSA-N 1 1 328.350 -0.571 20 5 EBBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111469 377975054 /nfs/dbraw/zinc/97/50/54/377975054.db2.gz KZURRWMOLAACPG-JTQLQIEISA-N 1 1 344.349 -0.485 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] 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ZINC001126936667 828233572 /nfs/dbraw/zinc/23/35/72/828233572.db2.gz PWJABSRNESDSTH-VXGBXAGGSA-N 1 1 349.347 -0.294 20 5 EBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1cccs1 ZINC001126939214 828235217 /nfs/dbraw/zinc/23/52/17/828235217.db2.gz SFUNQGZRNDCIKR-GHMZBOCLSA-N 1 1 326.378 -0.265 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131100200 829043304 /nfs/dbraw/zinc/04/33/04/829043304.db2.gz RFYKLABEZLZQSM-UHFFFAOYSA-N 1 1 336.308 -0.460 20 5 EBBDMO Cc1nc[nH]c(=O)c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132703159 829504514 /nfs/dbraw/zinc/50/45/14/829504514.db2.gz PSEMASOPCSRKFW-UHFFFAOYSA-N 1 1 335.324 -0.348 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135205890 829920050 /nfs/dbraw/zinc/92/00/50/829920050.db2.gz LSHMCZQJRJTRKO-UHFFFAOYSA-N 1 1 347.397 -0.641 20 5 EBBDMO Cc1cc(=O)c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c[nH]1 ZINC001146528411 830205838 /nfs/dbraw/zinc/20/58/38/830205838.db2.gz NGGIMNDETOJMCQ-UHFFFAOYSA-N 1 1 334.336 -0.155 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cncc(C(N)=O)c1 ZINC001151292817 831049438 /nfs/dbraw/zinc/04/94/38/831049438.db2.gz MRWRZTNTUAAQHN-UHFFFAOYSA-N 1 1 347.335 -0.658 20 5 EBBDMO Cn1cc(CCC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nn1 ZINC001153761890 831268137 /nfs/dbraw/zinc/26/81/37/831268137.db2.gz RLGLLIWQETVSCF-UHFFFAOYSA-N 1 1 336.356 -0.705 20 5 EBBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155581478 831415308 /nfs/dbraw/zinc/41/53/08/831415308.db2.gz SUPJRXVHLPQKLK-AMIZOPFISA-N 1 1 335.324 -0.358 20 5 EBBDMO CN(Cc1ccco1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774840 831591353 /nfs/dbraw/zinc/59/13/53/831591353.db2.gz COPFYYARTBPVML-CHWSQXEVSA-N 1 1 338.364 -0.001 20 5 EBBDMO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n(C)n1 ZINC001157774805 831591941 /nfs/dbraw/zinc/59/19/41/831591941.db2.gz AUUYDJPNAOKRNI-GHMZBOCLSA-N 1 1 338.368 -0.572 20 5 EBBDMO CN(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775269 831592030 /nfs/dbraw/zinc/59/20/30/831592030.db2.gz NAWCVEWLVUOGLA-RKDXNWHRSA-N 1 1 340.302 -0.232 20 5 EBBDMO O=C(NCCC1=CC[N@@H+](CCOCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098313 831815453 /nfs/dbraw/zinc/81/54/53/831815453.db2.gz XSYHXIAMQKSGJA-ZIAGYGMSSA-N 1 1 327.381 -0.201 20 5 EBBDMO O=C(NCCC1=CC[N@H+](CCOCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160098313 831815458 /nfs/dbraw/zinc/81/54/58/831815458.db2.gz XSYHXIAMQKSGJA-ZIAGYGMSSA-N 1 1 327.381 -0.201 20 5 EBBDMO O=C(NCCC1=CC[N@@H+](CCOCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160098313 831815465 /nfs/dbraw/zinc/81/54/65/831815465.db2.gz XSYHXIAMQKSGJA-ZIAGYGMSSA-N 1 1 327.381 -0.201 20 5 EBBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162434677 832038535 /nfs/dbraw/zinc/03/85/35/832038535.db2.gz AEHRSXHXDWHGKF-WDZBIPAOSA-N 1 1 346.804 -0.743 20 5 EBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H]2NCN[C@@H]21 ZINC001162436126 832039670 /nfs/dbraw/zinc/03/96/70/832039670.db2.gz HYAUTRZQEHDZBE-YLGFNEOPSA-N 1 1 335.155 -0.812 20 5 EBBDMO Cc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001162437496 832040040 /nfs/dbraw/zinc/04/00/40/832040040.db2.gz UHDBBVRXSAYYSB-KKUMJFAQSA-N 1 1 329.364 -0.052 20 5 EBBDMO CCOC(=O)c1c(CN)ncn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162533357 832050857 /nfs/dbraw/zinc/05/08/57/832050857.db2.gz SGFGWWVQEHLDGZ-UHFFFAOYSA-N 1 1 347.335 -0.107 20 5 EBBDMO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458374 832865707 /nfs/dbraw/zinc/86/57/07/832865707.db2.gz DNXCNGJGFHUEIU-NXEZZACHSA-N 1 1 329.357 -0.887 20 5 EBBDMO CS(=O)(=O)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458321 832866579 /nfs/dbraw/zinc/86/65/79/832866579.db2.gz AGPQHJRRIYCWEM-VXGBXAGGSA-N 1 1 335.426 -0.038 20 5 EBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001324841151 839722299 /nfs/dbraw/zinc/72/22/99/839722299.db2.gz KAWAQTSSIMDVHI-UHFFFAOYSA-N 1 1 338.368 -0.389 20 5 EBBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001325870682 839964978 /nfs/dbraw/zinc/96/49/78/839964978.db2.gz HIWJVJOISIZBMI-TZMCWYRMSA-N 1 1 326.401 -0.622 20 5 EBBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CC([NH+]2CCOCC2)C1 ZINC001348369450 843689044 /nfs/dbraw/zinc/68/90/44/843689044.db2.gz XFIKYLGGGIMPGH-UHFFFAOYSA-N 1 1 336.348 -0.264 20 5 EBBDMO CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001492348948 1130636721 /nfs/dbraw/zinc/63/67/21/1130636721.db2.gz HWCRPCLSRIFZDN-CHWSQXEVSA-N 1 1 326.397 -0.042 20 5 EBBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000286017509 375927294 /nfs/dbraw/zinc/92/72/94/375927294.db2.gz ZXIDYPCUMWVPCH-OLZOCXBDSA-N 1 1 336.348 -0.312 20 5 EBBDMO NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842779 376667897 /nfs/dbraw/zinc/66/78/97/376667897.db2.gz UBJJKBIFWARGBS-DGCLKSJQSA-N 1 1 345.377 -0.303 20 5 EBBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842779 376667904 /nfs/dbraw/zinc/66/79/04/376667904.db2.gz UBJJKBIFWARGBS-DGCLKSJQSA-N 1 1 345.377 -0.303 20 5 EBBDMO COC[C@H](C(N)=O)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354702 376654561 /nfs/dbraw/zinc/65/45/61/376654561.db2.gz BYKMMISXTGGWPQ-WCQYABFASA-N 1 1 327.337 -0.233 20 5 EBBDMO COC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354702 376654563 /nfs/dbraw/zinc/65/45/63/376654563.db2.gz BYKMMISXTGGWPQ-WCQYABFASA-N 1 1 327.337 -0.233 20 5 EBBDMO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000571909674 378564279 /nfs/dbraw/zinc/56/42/79/378564279.db2.gz ANQNMSSJVABGGP-HIFRSBDPSA-N 1 1 340.428 -0.375 20 5 EBBDMO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000571909673 378564386 /nfs/dbraw/zinc/56/43/86/378564386.db2.gz ANQNMSSJVABGGP-DZGCQCFKSA-N 1 1 340.428 -0.375 20 5 EBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000574039058 379224551 /nfs/dbraw/zinc/22/45/51/379224551.db2.gz URNJSISBPQHHHM-JTQLQIEISA-N 1 1 336.352 -0.635 20 5 EBBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@@H+]1CCO ZINC000490079376 379563379 /nfs/dbraw/zinc/56/33/79/379563379.db2.gz ZJEJLOOVPQZCPB-SNVBAGLBSA-N 1 1 344.393 -0.255 20 5 EBBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@H+]1CCO ZINC000490079376 379563389 /nfs/dbraw/zinc/56/33/89/379563389.db2.gz ZJEJLOOVPQZCPB-SNVBAGLBSA-N 1 1 344.393 -0.255 20 5 EBBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000271362746 379755125 /nfs/dbraw/zinc/75/51/25/379755125.db2.gz PYUIBMMLVNYVIW-NWDGAFQWSA-N 1 1 347.397 -0.834 20 5 EBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000354551234 379707637 /nfs/dbraw/zinc/70/76/37/379707637.db2.gz KLQQSCIJTHQCRH-RYUDHWBXSA-N 1 1 340.384 -0.112 20 5 EBBDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271708407 379759471 /nfs/dbraw/zinc/75/94/71/379759471.db2.gz VULSQOSJDQGIMO-HZSPNIEDSA-N 1 1 339.348 -0.564 20 5 EBBDMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271708407 379759478 /nfs/dbraw/zinc/75/94/78/379759478.db2.gz VULSQOSJDQGIMO-HZSPNIEDSA-N 1 1 339.348 -0.564 20 5 EBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)CN1CCOCC1 ZINC000090552026 379837257 /nfs/dbraw/zinc/83/72/57/379837257.db2.gz QGWBVSPEEXANQJ-CQSZACIVSA-N 1 1 340.380 -0.619 20 5 EBBDMO CS(=O)(=O)N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549731 379837386 /nfs/dbraw/zinc/83/73/86/379837386.db2.gz XKWPYGOYARUHAC-JTQLQIEISA-N 1 1 330.366 -0.620 20 5 EBBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549731 379837392 /nfs/dbraw/zinc/83/73/92/379837392.db2.gz XKWPYGOYARUHAC-JTQLQIEISA-N 1 1 330.366 -0.620 20 5 EBBDMO Cn1nc2c(cc1=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000090551249 379837491 /nfs/dbraw/zinc/83/74/91/379837491.db2.gz LMAWOEXCCOQSDQ-UHFFFAOYSA-N 1 1 331.332 -0.092 20 5 EBBDMO Cn1nc2c(cc1=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000090551249 379837495 /nfs/dbraw/zinc/83/74/95/379837495.db2.gz LMAWOEXCCOQSDQ-UHFFFAOYSA-N 1 1 331.332 -0.092 20 5 EBBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000444382869 379844785 /nfs/dbraw/zinc/84/47/85/379844785.db2.gz HEYSRHMNKRTSCQ-SNVBAGLBSA-N 1 1 326.357 -0.510 20 5 EBBDMO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000246580711 379999977 /nfs/dbraw/zinc/99/99/77/379999977.db2.gz OFOLKRAOCIZWPI-JQWIXIFHSA-N 1 1 332.382 -0.339 20 5 EBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000246580711 379999981 /nfs/dbraw/zinc/99/99/81/379999981.db2.gz OFOLKRAOCIZWPI-JQWIXIFHSA-N 1 1 332.382 -0.339 20 5 EBBDMO C[NH+](C)C[C@@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581370333 381072682 /nfs/dbraw/zinc/07/26/82/381072682.db2.gz ROVJWVSWMPIHAU-LBPRGKRZSA-N 1 1 331.394 -0.119 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)c1 ZINC000584409057 381127379 /nfs/dbraw/zinc/12/73/79/381127379.db2.gz ALKZVNJPMRQVKT-UONOGXRCSA-N 1 1 327.385 -0.411 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000174776852 154107033 /nfs/dbraw/zinc/10/70/33/154107033.db2.gz XYOMSGPNLRULCP-CYBMUJFWSA-N 1 1 333.352 -0.236 20 5 EBBDMO Cc1nn(CCC(=O)N2CC[NH+](CCO)CC2)c(C)c1[N+](=O)[O-] ZINC000178046380 154115968 /nfs/dbraw/zinc/11/59/68/154115968.db2.gz KORPHXGSKDQVCZ-UHFFFAOYSA-N 1 1 325.369 -0.065 20 5 EBBDMO COC(=O)[C@@H]1CSCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087654 419138783 /nfs/dbraw/zinc/13/87/83/419138783.db2.gz WGKVUVXMJNQPML-CMPLNLGQSA-N 1 1 344.393 -0.010 20 5 EBBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@H]1O ZINC000420975771 420915988 /nfs/dbraw/zinc/91/59/88/420915988.db2.gz RFGZOWSCYIZJNY-QWHCGFSZSA-N 1 1 345.377 -0.435 20 5 EBBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@H]1O ZINC000420975771 420915990 /nfs/dbraw/zinc/91/59/90/420915990.db2.gz RFGZOWSCYIZJNY-QWHCGFSZSA-N 1 1 345.377 -0.435 20 5 EBBDMO CNc1nccc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000597693493 421220600 /nfs/dbraw/zinc/22/06/00/421220600.db2.gz FETPBYOGKYPBIT-UHFFFAOYSA-N 1 1 348.407 0.351 20 5 EBBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000786761007 583513135 /nfs/dbraw/zinc/51/31/35/583513135.db2.gz JMUUEXPECNGOQQ-SECBINFHSA-N 1 1 328.350 -0.738 20 5 EBBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC000821628579 583797003 /nfs/dbraw/zinc/79/70/03/583797003.db2.gz LRIFZTJQYJUANZ-WDEREUQCSA-N 1 1 332.324 -0.311 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766280 584161607 /nfs/dbraw/zinc/16/16/07/584161607.db2.gz OKPFRNREZFSBEB-WDEREUQCSA-N 1 1 342.377 -0.503 20 5 EBBDMO COC(=O)c1ccnc(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000856727638 584270335 /nfs/dbraw/zinc/27/03/35/584270335.db2.gz 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NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000541593461 377610231 /nfs/dbraw/zinc/61/02/31/377610231.db2.gz KLSDPHKLMINCMH-JTQLQIEISA-N 1 1 342.377 -0.237 20 5 EBBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195984 377802418 /nfs/dbraw/zinc/80/24/18/377802418.db2.gz IVOAOFFGNFJJNG-USWWRNFRSA-N 1 1 328.325 -0.992 20 5 EBBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1 ZINC000594478297 377940440 /nfs/dbraw/zinc/94/04/40/377940440.db2.gz OBZNFZWOLYAEQG-WDEREUQCSA-N 1 1 328.350 -0.571 20 5 EBBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1 ZINC000594478297 377940444 /nfs/dbraw/zinc/94/04/44/377940444.db2.gz OBZNFZWOLYAEQG-WDEREUQCSA-N 1 1 328.350 -0.571 20 5 EBBDMO CCCc1[nH]nc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878996 377965150 /nfs/dbraw/zinc/96/51/50/377965150.db2.gz QSMGQWVTEGRUQV-DTWKUNHWSA-N 1 1 336.352 -0.346 20 5 EBBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826889 378029854 /nfs/dbraw/zinc/02/98/54/378029854.db2.gz PNHSOACLYIHHQQ-YPMHNXCESA-N 1 1 340.384 -0.160 20 5 EBBDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562937 378258753 /nfs/dbraw/zinc/25/87/53/378258753.db2.gz KJXVNPQOSPOLMX-YPMHNXCESA-N 1 1 328.325 -0.584 20 5 EBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372037838 379412037 /nfs/dbraw/zinc/41/20/37/379412037.db2.gz QUGZYBSLRAAPCL-YPMHNXCESA-N 1 1 338.368 -0.046 20 5 EBBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC000282402264 379539421 /nfs/dbraw/zinc/53/94/21/379539421.db2.gz FIPUAAIVKFRFCW-NEPJUHHUSA-N 1 1 339.352 -0.379 20 5 EBBDMO C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000490046944 379562793 /nfs/dbraw/zinc/56/27/93/379562793.db2.gz WRKWFQSVOAFLRY-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000490046944 379562802 /nfs/dbraw/zinc/56/28/02/379562802.db2.gz WRKWFQSVOAFLRY-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO Cn1cc(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603428360 379684550 /nfs/dbraw/zinc/68/45/50/379684550.db2.gz ITKCRQWJRHOXGS-LBPRGKRZSA-N 1 1 336.396 -0.028 20 5 EBBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354422170 379708359 /nfs/dbraw/zinc/70/83/59/379708359.db2.gz HPKLDNWTQFJNPC-UHFFFAOYSA-N 1 1 340.384 -0.562 20 5 EBBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000619496779 381294789 /nfs/dbraw/zinc/29/47/89/381294789.db2.gz NRPUISZHKHFOSY-ZDUSSCGKSA-N 1 1 345.377 -0.052 20 5 EBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264550629 154284081 /nfs/dbraw/zinc/28/40/81/154284081.db2.gz OWMSKEFTQUHKJQ-LBPRGKRZSA-N 1 1 338.368 -0.363 20 5 EBBDMO Cc1nn(CCC(=O)NC[C@]2(O)CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000358056136 157204626 /nfs/dbraw/zinc/20/46/26/157204626.db2.gz ZQSWDSFDYDZDIV-CQSZACIVSA-N 1 1 325.369 -0.019 20 5 EBBDMO CNS(=O)(=O)c1ccc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358332549 157233485 /nfs/dbraw/zinc/23/34/85/157233485.db2.gz UDOJHRFUWPBVPQ-ZDUSSCGKSA-N 1 1 344.393 -0.019 20 5 EBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340969594 419136052 /nfs/dbraw/zinc/13/60/52/419136052.db2.gz SRHFTRBKQCMMTP-NSHDSACASA-N 1 1 338.368 -0.444 20 5 EBBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000296994937 419967133 /nfs/dbraw/zinc/96/71/33/419967133.db2.gz QMUMMNFZLMZCEF-CYBMUJFWSA-N 1 1 335.364 -0.031 20 5 EBBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000296994937 419967136 /nfs/dbraw/zinc/96/71/36/419967136.db2.gz QMUMMNFZLMZCEF-CYBMUJFWSA-N 1 1 335.364 -0.031 20 5 EBBDMO Nc1nc(NCCCCN2CC[NH+](CCO)CC2)ncc1[N+](=O)[O-] ZINC000358206433 420654357 /nfs/dbraw/zinc/65/43/57/420654357.db2.gz ANUIMDJYRBDCDB-UHFFFAOYSA-N 1 1 339.400 -0.809 20 5 EBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000289137700 264623530 /nfs/dbraw/zinc/62/35/30/264623530.db2.gz IDJHFNSLZXSLSQ-LLVKDONJSA-N 1 1 326.357 -0.501 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000272559133 295289440 /nfs/dbraw/zinc/28/94/40/295289440.db2.gz SACPOQSPBPBJTO-UHFFFAOYSA-N 1 1 330.366 -0.644 20 5 EBBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCOCCO ZINC000830409580 583966864 /nfs/dbraw/zinc/96/68/64/583966864.db2.gz RHRUANFIRXJZHA-UHFFFAOYSA-N 1 1 347.393 -0.186 20 5 EBBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCOCCO ZINC000830409580 583966866 /nfs/dbraw/zinc/96/68/66/583966866.db2.gz RHRUANFIRXJZHA-UHFFFAOYSA-N 1 1 347.393 -0.186 20 5 EBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CCCO)CCO2 ZINC000949365722 653873902 /nfs/dbraw/zinc/87/39/02/653873902.db2.gz CDAACWFMBIOBRS-CHWSQXEVSA-N 1 1 327.381 -0.273 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CCCO)CCO2 ZINC000949365722 653873904 /nfs/dbraw/zinc/87/39/04/653873904.db2.gz CDAACWFMBIOBRS-CHWSQXEVSA-N 1 1 327.381 -0.273 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CCCO)CCO2 ZINC000949365722 653873906 /nfs/dbraw/zinc/87/39/06/653873906.db2.gz CDAACWFMBIOBRS-CHWSQXEVSA-N 1 1 327.381 -0.273 20 5 EBBDMO Cn1cnnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000963788951 723486885 /nfs/dbraw/zinc/48/68/85/723486885.db2.gz UURUKYZMTCKNBB-ZQUIDFRUSA-N 1 1 334.380 -0.003 20 5 EBBDMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025671496 730066113 /nfs/dbraw/zinc/06/61/13/730066113.db2.gz CJVMEZSIZCGOMM-JYAVWHMHSA-N 1 1 343.347 -0.172 20 5 EBBDMO C[NH+]1CCC(OCC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991294971 809250740 /nfs/dbraw/zinc/25/07/40/809250740.db2.gz WLCCYNORTYOTSY-CHWSQXEVSA-N 1 1 340.380 -0.911 20 5 EBBDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097567565 819003854 /nfs/dbraw/zinc/00/38/54/819003854.db2.gz MSLZJKQEGKONRG-IWIIMEHWSA-N 1 1 349.395 -0.142 20 5 EBBDMO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)CC1 ZINC001284176368 819125266 /nfs/dbraw/zinc/12/52/66/819125266.db2.gz FRDNSRVWSQLTBQ-LBELIVKGSA-N 1 1 336.392 -0.434 20 5 EBBDMO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235397 821636330 /nfs/dbraw/zinc/63/63/30/821636330.db2.gz CRJFNGJXEZNJCA-CHWSQXEVSA-N 1 1 338.368 -0.547 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnn2ncccc12 ZINC001129588723 828642276 /nfs/dbraw/zinc/64/22/76/828642276.db2.gz PRXPQXIJZLGPGF-UHFFFAOYSA-N 1 1 344.335 -0.109 20 5 EBBDMO Cc1noc(CCC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001132121413 829343114 /nfs/dbraw/zinc/34/31/14/829343114.db2.gz UIEBPZVUZHAYQK-UHFFFAOYSA-N 1 1 337.340 -0.142 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC001142389183 830129215 /nfs/dbraw/zinc/12/92/15/830129215.db2.gz ADUCENFDNDDQOZ-SNVBAGLBSA-N 1 1 337.336 -0.251 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC001142389183 830129218 /nfs/dbraw/zinc/12/92/18/830129218.db2.gz ADUCENFDNDDQOZ-SNVBAGLBSA-N 1 1 337.336 -0.251 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1cnccn1 ZINC001146727874 830223879 /nfs/dbraw/zinc/22/38/79/830223879.db2.gz PKIKAOWZUBYLQF-UHFFFAOYSA-N 1 1 333.352 -0.043 20 5 EBBDMO COCCCOCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001147069644 830280796 /nfs/dbraw/zinc/28/07/96/830280796.db2.gz LMFSJKXSAGFQQM-UHFFFAOYSA-N 1 1 343.384 -0.023 20 5 EBBDMO Cn1cc(CCC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC001152230939 831143579 /nfs/dbraw/zinc/14/35/79/831143579.db2.gz SFVKURUWMHCFNP-UHFFFAOYSA-N 1 1 335.368 -0.100 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153373447 831230323 /nfs/dbraw/zinc/23/03/23/831230323.db2.gz ZJOXWRDJOHZIHV-UHFFFAOYSA-N 1 1 347.335 -0.658 20 5 EBBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155581480 831415316 /nfs/dbraw/zinc/41/53/16/831415316.db2.gz SUPJRXVHLPQKLK-ISVAXAHUSA-N 1 1 335.324 -0.358 20 5 EBBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001156236751 831463351 /nfs/dbraw/zinc/46/33/51/831463351.db2.gz AJUIXLZNOUHONG-SECBINFHSA-N 1 1 328.350 -0.324 20 5 EBBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001156236751 831463353 /nfs/dbraw/zinc/46/33/53/831463353.db2.gz AJUIXLZNOUHONG-SECBINFHSA-N 1 1 328.350 -0.324 20 5 EBBDMO CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767868 831591820 /nfs/dbraw/zinc/59/18/20/831591820.db2.gz YSMOFGXTKQKKAF-GHMZBOCLSA-N 1 1 329.401 -0.155 20 5 EBBDMO [NH3+][C@@H]1NCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2NCN[C@H]21 ZINC001162436309 832039044 /nfs/dbraw/zinc/03/90/44/832039044.db2.gz JXHFOYPHRVUSMG-SFGNSQDASA-N 1 1 349.729 -0.315 20 5 EBBDMO C[NH+](C)/C=C/c1cc(N2CN[C@H](N)[C@@H]3NCN[C@H]32)ncc1[N+](=O)[O-] ZINC001162446163 832045304 /nfs/dbraw/zinc/04/53/04/832045304.db2.gz HDUBCJPZIMNEQX-UCLKDPGMSA-N 1 1 334.384 -0.981 20 5 EBBDMO [NH3+][C@@H]1NCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)[C@H]2NCN[C@@H]21 ZINC001162449671 832046029 /nfs/dbraw/zinc/04/60/29/832046029.db2.gz WVKUXWQAWWXURY-RBSFLKMASA-N 1 1 342.363 -0.451 20 5 EBBDMO CS(=O)(=O)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490516 832191636 /nfs/dbraw/zinc/19/16/36/832191636.db2.gz LHZHPNQGDMNEPJ-GHMZBOCLSA-N 1 1 333.410 -0.428 20 5 EBBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001171655128 832569956 /nfs/dbraw/zinc/56/99/56/832569956.db2.gz LESKQIZRDWUDSB-CQSZACIVSA-N 1 1 325.321 -0.559 20 5 EBBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361369 832622297 /nfs/dbraw/zinc/62/22/97/832622297.db2.gz HPKPDNIVMZJYQK-DGCLKSJQSA-N 1 1 340.384 -0.064 20 5 EBBDMO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1CCO ZINC001195279073 835209848 /nfs/dbraw/zinc/20/98/48/835209848.db2.gz MMKIFHGIBYCDOU-MBNYWOFBSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001195279073 835209853 /nfs/dbraw/zinc/20/98/53/835209853.db2.gz MMKIFHGIBYCDOU-MBNYWOFBSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001195279073 835209856 /nfs/dbraw/zinc/20/98/56/835209856.db2.gz MMKIFHGIBYCDOU-MBNYWOFBSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+](C)C1CC1 ZINC001347080414 843588315 /nfs/dbraw/zinc/58/83/15/843588315.db2.gz KOKRWRWQAXIQPJ-SNVBAGLBSA-N 1 1 338.368 -0.494 20 5 EBBDMO Cn1cnc(C(=O)NCC2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC001670776686 1125992328 /nfs/dbraw/zinc/99/23/28/1125992328.db2.gz JFRZSUJSCMPQSL-UHFFFAOYSA-N 1 1 334.340 -0.491 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593508643 377887277 /nfs/dbraw/zinc/88/72/77/377887277.db2.gz UFCMMXOWIVEYNY-GFCCVEGCSA-N 1 1 342.377 -0.503 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593508643 377887281 /nfs/dbraw/zinc/88/72/81/377887281.db2.gz UFCMMXOWIVEYNY-GFCCVEGCSA-N 1 1 342.377 -0.503 20 5 EBBDMO NS(=O)(=O)c1c(NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599199421 378206060 /nfs/dbraw/zinc/20/60/60/378206060.db2.gz KFNWWELNECOFAY-VIFPVBQESA-N 1 1 330.366 -0.279 20 5 EBBDMO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905343 378379841 /nfs/dbraw/zinc/37/98/41/378379841.db2.gz NEBFYBKNNOGPDU-CHWSQXEVSA-N 1 1 325.365 -0.057 20 5 EBBDMO C[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905343 378379844 /nfs/dbraw/zinc/37/98/44/378379844.db2.gz NEBFYBKNNOGPDU-CHWSQXEVSA-N 1 1 325.365 -0.057 20 5 EBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000574039059 379224755 /nfs/dbraw/zinc/22/47/55/379224755.db2.gz URNJSISBPQHHHM-SNVBAGLBSA-N 1 1 336.352 -0.635 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416946527 379322950 /nfs/dbraw/zinc/32/29/50/379322950.db2.gz ILMIISSHCSDFNM-SNVBAGLBSA-N 1 1 337.336 -0.020 20 5 EBBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873799 379380889 /nfs/dbraw/zinc/38/08/89/379380889.db2.gz WJNMGNVXHWMOFS-ZDUSSCGKSA-N 1 1 335.364 -0.737 20 5 EBBDMO CCN1C(=O)[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCN2C1=O ZINC000371291347 379405023 /nfs/dbraw/zinc/40/50/23/379405023.db2.gz IZNMIEOLEKBKFH-LBPRGKRZSA-N 1 1 349.347 -0.275 20 5 EBBDMO CCN1C(=O)[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCN2C1=O ZINC000371291347 379405035 /nfs/dbraw/zinc/40/50/35/379405035.db2.gz IZNMIEOLEKBKFH-LBPRGKRZSA-N 1 1 349.347 -0.275 20 5 EBBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000282402274 379539281 /nfs/dbraw/zinc/53/92/81/379539281.db2.gz FIPUAAIVKFRFCW-VXGBXAGGSA-N 1 1 339.352 -0.379 20 5 EBBDMO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905344 379680472 /nfs/dbraw/zinc/68/04/72/379680472.db2.gz NEBFYBKNNOGPDU-OLZOCXBDSA-N 1 1 325.365 -0.057 20 5 EBBDMO C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905344 379680480 /nfs/dbraw/zinc/68/04/80/379680480.db2.gz NEBFYBKNNOGPDU-OLZOCXBDSA-N 1 1 325.365 -0.057 20 5 EBBDMO C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602902857 379680588 /nfs/dbraw/zinc/68/05/88/379680588.db2.gz FQKUNDOEMXTNGS-KBPBESRZSA-N 1 1 325.365 -0.057 20 5 EBBDMO C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602902857 379680595 /nfs/dbraw/zinc/68/05/95/379680595.db2.gz FQKUNDOEMXTNGS-KBPBESRZSA-N 1 1 325.365 -0.057 20 5 EBBDMO Cc1nn(C)c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000604382698 379703305 /nfs/dbraw/zinc/70/33/05/379703305.db2.gz LFZMGXUNVWJQME-UHFFFAOYSA-N 1 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CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000282402266 379538717 /nfs/dbraw/zinc/53/87/17/379538717.db2.gz FIPUAAIVKFRFCW-NWDGAFQWSA-N 1 1 339.352 -0.379 20 5 EBBDMO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000281104102 379521048 /nfs/dbraw/zinc/52/10/48/379521048.db2.gz GFXNWOXNBXTKMX-UHFFFAOYSA-N 1 1 342.377 -0.353 20 5 EBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600808418 379660861 /nfs/dbraw/zinc/66/08/61/379660861.db2.gz NVBZKTKGGCVQEF-ZDUSSCGKSA-N 1 1 346.347 -0.028 20 5 EBBDMO CN1CC[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354319881 379705717 /nfs/dbraw/zinc/70/57/17/379705717.db2.gz SUYOBWMPDXHZHS-UHFFFAOYSA-N 1 1 337.380 -0.490 20 5 EBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458549449 381246474 /nfs/dbraw/zinc/24/64/74/381246474.db2.gz CRJVJTWJWAOAJQ-GFCCVEGCSA-N 1 1 340.384 -0.063 20 5 EBBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367129278 381483052 /nfs/dbraw/zinc/48/30/52/381483052.db2.gz OWSHPEQZTFTDHL-LBPRGKRZSA-N 1 1 344.393 -0.230 20 5 EBBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367129278 381483056 /nfs/dbraw/zinc/48/30/56/381483056.db2.gz OWSHPEQZTFTDHL-LBPRGKRZSA-N 1 1 344.393 -0.230 20 5 EBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577281146 382036191 /nfs/dbraw/zinc/03/61/91/382036191.db2.gz PNHXJQWZLAKDDE-LLVKDONJSA-N 1 1 335.364 -0.030 20 5 EBBDMO Cn1nncc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237683604 154174146 /nfs/dbraw/zinc/17/41/46/154174146.db2.gz PORAKSKDRNHVFI-UHFFFAOYSA-N 1 1 340.365 -0.209 20 5 EBBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000262631907 154241078 /nfs/dbraw/zinc/24/10/78/154241078.db2.gz UPTIFDXRTSXMDZ-AWEZNQCLSA-N 1 1 348.359 -0.132 20 5 EBBDMO CCOCC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264784878 154293760 /nfs/dbraw/zinc/29/37/60/154293760.db2.gz QSEMWALXNNGMQU-UHFFFAOYSA-N 1 1 338.364 -0.063 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000266462290 154345173 /nfs/dbraw/zinc/34/51/73/154345173.db2.gz QEAJPUWZAHKTDB-ZDUSSCGKSA-N 1 1 333.352 -0.236 20 5 EBBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292244720 155030952 /nfs/dbraw/zinc/03/09/52/155030952.db2.gz QMVJZCNGPWMUPT-LLVKDONJSA-N 1 1 344.393 -0.278 20 5 EBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292244720 155030954 /nfs/dbraw/zinc/03/09/54/155030954.db2.gz QMVJZCNGPWMUPT-LLVKDONJSA-N 1 1 344.393 -0.278 20 5 EBBDMO CCn1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000358215177 157228999 /nfs/dbraw/zinc/22/89/99/157228999.db2.gz RKXXBLKVLXEQDM-LLVKDONJSA-N 1 1 333.370 -0.844 20 5 EBBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743100 419013629 /nfs/dbraw/zinc/01/36/29/419013629.db2.gz PPLYHNJOCLVLAC-NHCYSSNCSA-N 1 1 334.398 -0.094 20 5 EBBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743100 419013632 /nfs/dbraw/zinc/01/36/32/419013632.db2.gz PPLYHNJOCLVLAC-NHCYSSNCSA-N 1 1 334.398 -0.094 20 5 EBBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000289783175 419072301 /nfs/dbraw/zinc/07/23/01/419072301.db2.gz LWSOVMXXXUECTD-SECBINFHSA-N 1 1 341.320 -0.063 20 5 EBBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000289783175 419072302 /nfs/dbraw/zinc/07/23/02/419072302.db2.gz LWSOVMXXXUECTD-SECBINFHSA-N 1 1 341.320 -0.063 20 5 EBBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000415384527 419789497 /nfs/dbraw/zinc/78/94/97/419789497.db2.gz MWSVNCQJGGBKCF-NSHDSACASA-N 1 1 348.363 -0.160 20 5 EBBDMO COC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000525268959 420915755 /nfs/dbraw/zinc/91/57/55/420915755.db2.gz RTXNHGABOCKFKV-ZDUSSCGKSA-N 1 1 342.352 -0.194 20 5 EBBDMO COC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000525268959 420915759 /nfs/dbraw/zinc/91/57/59/420915759.db2.gz RTXNHGABOCKFKV-ZDUSSCGKSA-N 1 1 342.352 -0.194 20 5 EBBDMO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000394103178 420937824 /nfs/dbraw/zinc/93/78/24/420937824.db2.gz MZUZHVINONREFB-SECBINFHSA-N 1 1 332.357 -0.084 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000299529230 420938955 /nfs/dbraw/zinc/93/89/55/420938955.db2.gz GHDZPVAFYUWQOO-UHFFFAOYSA-N 1 1 344.393 -0.253 20 5 EBBDMO C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1CCO ZINC000419500114 264871453 /nfs/dbraw/zinc/87/14/53/264871453.db2.gz WTQJZRXNEUMSBJ-NEPJUHHUSA-N 1 1 340.384 -0.112 20 5 EBBDMO C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCOCC1 ZINC000359799860 280143051 /nfs/dbraw/zinc/14/30/51/280143051.db2.gz TZJDPYOTZNCMIP-AWEZNQCLSA-N 1 1 339.352 -0.615 20 5 EBBDMO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000157857129 582568571 /nfs/dbraw/zinc/56/85/71/582568571.db2.gz AVFCUWPKXUXXDB-JTQLQIEISA-N 1 1 336.352 -0.304 20 5 EBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000157857129 582568572 /nfs/dbraw/zinc/56/85/72/582568572.db2.gz AVFCUWPKXUXXDB-JTQLQIEISA-N 1 1 336.352 -0.304 20 5 EBBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000786761010 583513105 /nfs/dbraw/zinc/51/31/05/583513105.db2.gz JMUUEXPECNGOQQ-VIFPVBQESA-N 1 1 328.350 -0.738 20 5 EBBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801801476 583622341 /nfs/dbraw/zinc/62/23/41/583622341.db2.gz FKYDZZCBFZHAKF-UHFFFAOYSA-N 1 1 339.327 -0.004 20 5 EBBDMO COc1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000858627400 584290048 /nfs/dbraw/zinc/29/00/48/584290048.db2.gz CLKZVAFETQNEIS-VIFPVBQESA-N 1 1 331.350 -0.130 20 5 EBBDMO NS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859958026 584310144 /nfs/dbraw/zinc/31/01/44/584310144.db2.gz MYRGGMODHGFWEH-CYBMUJFWSA-N 1 1 344.393 -0.114 20 5 EBBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374440 584369542 /nfs/dbraw/zinc/36/95/42/584369542.db2.gz PTGIUALLPRMKMN-NSHDSACASA-N 1 1 326.357 -0.341 20 5 EBBDMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882637907 584592680 /nfs/dbraw/zinc/59/26/80/584592680.db2.gz ZRNXRSPODMWWMB-MGPQQGTHSA-N 1 1 326.397 -0.436 20 5 EBBDMO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000882637907 584592682 /nfs/dbraw/zinc/59/26/82/584592682.db2.gz ZRNXRSPODMWWMB-MGPQQGTHSA-N 1 1 326.397 -0.436 20 5 EBBDMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000882637907 584592684 /nfs/dbraw/zinc/59/26/84/584592684.db2.gz ZRNXRSPODMWWMB-MGPQQGTHSA-N 1 1 326.397 -0.436 20 5 EBBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775329 730086189 /nfs/dbraw/zinc/08/61/89/730086189.db2.gz PTKXXLWWTSELDS-VVSAWPALSA-N 1 1 336.392 -0.290 20 5 EBBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775329 730086192 /nfs/dbraw/zinc/08/61/92/730086192.db2.gz PTKXXLWWTSELDS-VVSAWPALSA-N 1 1 336.392 -0.290 20 5 EBBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775329 730086194 /nfs/dbraw/zinc/08/61/94/730086194.db2.gz PTKXXLWWTSELDS-VVSAWPALSA-N 1 1 336.392 -0.290 20 5 EBBDMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCC1 ZINC001025775266 730086326 /nfs/dbraw/zinc/08/63/26/730086326.db2.gz JOOAOOWFTAPCPV-VVSAWPALSA-N 1 1 336.392 -0.290 20 5 EBBDMO CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001055331506 736333404 /nfs/dbraw/zinc/33/34/04/736333404.db2.gz KLBYTRIROCZBNE-XJFOESAGSA-N 1 1 338.408 -0.090 20 5 EBBDMO C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063718605 739185592 /nfs/dbraw/zinc/18/55/92/739185592.db2.gz LFBWRZVUORKOTN-VXGBXAGGSA-N 1 1 342.396 -0.615 20 5 EBBDMO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074713472 742084298 /nfs/dbraw/zinc/08/42/98/742084298.db2.gz WWXINUVQYTXVJV-VXGBXAGGSA-N 1 1 342.396 -0.927 20 5 EBBDMO O=C(N[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000980059754 805713639 /nfs/dbraw/zinc/71/36/39/805713639.db2.gz UCPWWJRWUWVSMN-FDYHWXHSSA-N 1 1 336.392 -0.242 20 5 EBBDMO CC(C)[N@H+]1CCC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1 ZINC001224798773 811776373 /nfs/dbraw/zinc/77/63/73/811776373.db2.gz CJZAUMXVRGMWFN-LLVKDONJSA-N 1 1 330.341 -0.032 20 5 EBBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001251771584 812632905 /nfs/dbraw/zinc/63/29/05/812632905.db2.gz JMASSNBHOGOHTI-UHFFFAOYSA-N 1 1 325.373 -0.718 20 5 EBBDMO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccon1 ZINC001264419850 813174045 /nfs/dbraw/zinc/17/40/45/813174045.db2.gz HAUCEBRNKCZQHK-GWOFURMSSA-N 1 1 337.336 -0.237 20 5 EBBDMO CCCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281613716 818234581 /nfs/dbraw/zinc/23/45/81/818234581.db2.gz RSABUISHXCGGBY-VXGBXAGGSA-N 1 1 342.396 -0.879 20 5 EBBDMO CN(CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1CC1 ZINC001128613468 828487566 /nfs/dbraw/zinc/48/75/66/828487566.db2.gz BAJRRPATCPDNLA-UHFFFAOYSA-N 1 1 338.368 -0.598 20 5 EBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001119896925 827158782 /nfs/dbraw/zinc/15/87/82/827158782.db2.gz UMXZPEBVSQEEHN-UHFFFAOYSA-N 1 1 336.396 -0.194 20 5 EBBDMO CCn1ccc(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001127725670 828317858 /nfs/dbraw/zinc/31/78/58/828317858.db2.gz BLEHDWHLBXIVCE-UHFFFAOYSA-N 1 1 335.368 -0.007 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CNC(=O)C(C)(C)C ZINC001150829633 830993548 /nfs/dbraw/zinc/99/35/48/830993548.db2.gz WTHRMGLIWNMLLD-UHFFFAOYSA-N 1 1 340.384 -0.304 20 5 EBBDMO CCCS(=O)(=O)CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001151390528 831068466 /nfs/dbraw/zinc/06/84/66/831068466.db2.gz JSCZEJHGOWWYEL-UHFFFAOYSA-N 1 1 347.397 -0.641 20 5 EBBDMO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775076 831592291 /nfs/dbraw/zinc/59/22/91/831592291.db2.gz KTRCVFQDWIRIEL-GHMZBOCLSA-N 1 1 336.414 -0.971 20 5 EBBDMO [NH3+][C@@H]1NCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]2NCN[C@@H]21 ZINC001162436400 832039241 /nfs/dbraw/zinc/03/92/41/832039241.db2.gz LCUVHXOYMDVOCC-SZEHBUNVSA-N 1 1 349.729 -0.315 20 5 EBBDMO Cc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001162437497 832040568 /nfs/dbraw/zinc/04/05/68/832040568.db2.gz UHDBBVRXSAYYSB-QLFBSQMISA-N 1 1 329.364 -0.052 20 5 EBBDMO N[C@H]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1(F)F ZINC001166962859 832303054 /nfs/dbraw/zinc/30/30/54/832303054.db2.gz YVWYZJBUXDHJAT-VIFPVBQESA-N 1 1 343.338 -0.033 20 5 EBBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001170478793 832507650 /nfs/dbraw/zinc/50/76/50/832507650.db2.gz GAUWNDFYUYQBJI-VXGBXAGGSA-N 1 1 327.341 -0.075 20 5 EBBDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001319701807 838168446 /nfs/dbraw/zinc/16/84/46/838168446.db2.gz QKHNGJOGHFSDSQ-SNVBAGLBSA-N 1 1 336.352 -0.128 20 5 EBBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001319701807 838168453 /nfs/dbraw/zinc/16/84/53/838168453.db2.gz QKHNGJOGHFSDSQ-SNVBAGLBSA-N 1 1 336.352 -0.128 20 5 EBBDMO COC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001322157741 839145249 /nfs/dbraw/zinc/14/52/49/839145249.db2.gz JNTURBXOQABCRY-LBPRGKRZSA-N 1 1 327.341 -0.074 20 5 EBBDMO CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001325001806 839750648 /nfs/dbraw/zinc/75/06/48/839750648.db2.gz GJYIHRVCYIOCFG-VXGBXAGGSA-N 1 1 342.396 -0.569 20 5 EBBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001326705620 840181487 /nfs/dbraw/zinc/18/14/87/840181487.db2.gz SUFAXUQDGIEIHJ-LLVKDONJSA-N 1 1 336.352 -0.128 20 5 EBBDMO C[N@@H+](CCOCCO)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001692011488 1125839096 /nfs/dbraw/zinc/83/90/96/1125839096.db2.gz UEMCDCAVKHXHFG-ZIAGYGMSSA-N 1 1 329.397 -0.169 20 5 EBBDMO C[N@H+](CCOCCO)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001692011488 1125839097 /nfs/dbraw/zinc/83/90/97/1125839097.db2.gz UEMCDCAVKHXHFG-ZIAGYGMSSA-N 1 1 329.397 -0.169 20 5 EBBDMO C[N@@H+](CCOCCO)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001692011488 1125839098 /nfs/dbraw/zinc/83/90/98/1125839098.db2.gz UEMCDCAVKHXHFG-ZIAGYGMSSA-N 1 1 329.397 -0.169 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)Cn2cccn2)CC1 ZINC001670746883 1125867025 /nfs/dbraw/zinc/86/70/25/1125867025.db2.gz WNMPZVDHNRWSCE-UHFFFAOYSA-N 1 1 333.352 -0.037 20 5 EBBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599104516 378196550 /nfs/dbraw/zinc/19/65/50/378196550.db2.gz CRJQHWTXTVGSGR-SECBINFHSA-N 1 1 331.350 -0.130 20 5 EBBDMO NS(=O)(=O)c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175662 378199888 /nfs/dbraw/zinc/19/98/88/378199888.db2.gz GWDAWYWJZFYAIJ-SECBINFHSA-N 1 1 330.366 -0.279 20 5 EBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419035045 379337432 /nfs/dbraw/zinc/33/74/32/379337432.db2.gz DZJLPRHHPBLFFT-UHFFFAOYSA-N 1 1 330.291 -0.036 20 5 EBBDMO Cc1n[nH]c(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1[N+](=O)[O-] ZINC000274993466 379463495 /nfs/dbraw/zinc/46/34/95/379463495.db2.gz MJPYXOYSNBPRSD-SNVBAGLBSA-N 1 1 336.352 -0.337 20 5 EBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548937172 379750142 /nfs/dbraw/zinc/75/01/42/379750142.db2.gz GZUOPXUFDWJJCY-NSHDSACASA-N 1 1 336.352 -0.304 20 5 EBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000354551231 379708525 /nfs/dbraw/zinc/70/85/25/379708525.db2.gz KLQQSCIJTHQCRH-NEPJUHHUSA-N 1 1 340.384 -0.112 20 5 EBBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000271748748 379762569 /nfs/dbraw/zinc/76/25/69/379762569.db2.gz RVPBXTOVSOBRIH-NSHDSACASA-N 1 1 339.352 -0.113 20 5 EBBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000271748748 379762574 /nfs/dbraw/zinc/76/25/74/379762574.db2.gz RVPBXTOVSOBRIH-NSHDSACASA-N 1 1 339.352 -0.113 20 5 EBBDMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000276656151 382068532 /nfs/dbraw/zinc/06/85/32/382068532.db2.gz ZQIJQLRUHFAOPR-OAHLLOKOSA-N 1 1 334.332 -0.594 20 5 EBBDMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000276656151 382068539 /nfs/dbraw/zinc/06/85/39/382068539.db2.gz ZQIJQLRUHFAOPR-OAHLLOKOSA-N 1 1 334.332 -0.594 20 5 EBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000330682025 155300839 /nfs/dbraw/zinc/30/08/39/155300839.db2.gz NKISVSBRNNGQJU-UHFFFAOYSA-N 1 1 338.368 -0.540 20 5 EBBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000261707995 154197832 /nfs/dbraw/zinc/19/78/32/154197832.db2.gz KIXPCBDTEWAMMV-GFCCVEGCSA-N 1 1 346.347 -0.337 20 5 EBBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341677539 419242783 /nfs/dbraw/zinc/24/27/83/419242783.db2.gz WBMOASPCRFQLKI-GFCCVEGCSA-N 1 1 344.393 -0.230 20 5 EBBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341677539 419242786 /nfs/dbraw/zinc/24/27/86/419242786.db2.gz WBMOASPCRFQLKI-GFCCVEGCSA-N 1 1 344.393 -0.230 20 5 EBBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCOCC1 ZINC000265714764 419304233 /nfs/dbraw/zinc/30/42/33/419304233.db2.gz IPPCJGDHFVHQCK-LBPRGKRZSA-N 1 1 338.364 -0.159 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413928741 419320586 /nfs/dbraw/zinc/32/05/86/419320586.db2.gz ZCPVZUMEUHSALP-SNVBAGLBSA-N 1 1 325.325 -0.646 20 5 EBBDMO CNc1nccc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599938707 421220577 /nfs/dbraw/zinc/22/05/77/421220577.db2.gz FDFGTZYZVDDVFH-QWRGUYRKSA-N 1 1 335.364 0.313 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000273525180 295289501 /nfs/dbraw/zinc/28/95/01/295289501.db2.gz XOBGTUVBTUGHMA-UHFFFAOYSA-N 1 1 344.393 -0.253 20 5 EBBDMO CS(=O)(=O)c1cccc(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000345178280 295558916 /nfs/dbraw/zinc/55/89/16/295558916.db2.gz YDEXHDDNNLTKDV-MRVPVSSYSA-N 1 1 328.350 -0.738 20 5 EBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000600810477 545714148 /nfs/dbraw/zinc/71/41/48/545714148.db2.gz ZPIADIMWBLBQKM-LBPRGKRZSA-N 1 1 346.347 -0.028 20 5 EBBDMO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)S(C)(=O)=O ZINC000123695775 584456441 /nfs/dbraw/zinc/45/64/41/584456441.db2.gz GYXUTKYAZGEZCM-LLVKDONJSA-N 1 1 334.398 -0.093 20 5 EBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)S(C)(=O)=O ZINC000123695775 584456442 /nfs/dbraw/zinc/45/64/42/584456442.db2.gz GYXUTKYAZGEZCM-LLVKDONJSA-N 1 1 334.398 -0.093 20 5 EBBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548741937 650012479 /nfs/dbraw/zinc/01/24/79/650012479.db2.gz 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ZINC000357241537 421220444 /nfs/dbraw/zinc/22/04/44/421220444.db2.gz UFRMHRRIAZXCBH-SNVBAGLBSA-N 1 1 336.352 -0.160 20 5 EBBDMO CNc1nccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000594333885 421220678 /nfs/dbraw/zinc/22/06/78/421220678.db2.gz FLGZZOREHTTYCL-UHFFFAOYSA-N 1 1 337.380 0.560 20 5 EBBDMO CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](C)CC1 ZINC000888992660 584685094 /nfs/dbraw/zinc/68/50/94/584685094.db2.gz SZINMLDNYCQWLC-UHFFFAOYSA-N 1 1 337.380 -0.538 20 5 EBBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000919519515 650302426 /nfs/dbraw/zinc/30/24/26/650302426.db2.gz KOVDQVSHLDREJA-SNVBAGLBSA-N 1 1 340.340 -0.718 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000996440829 726393657 /nfs/dbraw/zinc/39/36/57/726393657.db2.gz MZQUQEYBCZRXLT-VXGBXAGGSA-N 1 1 338.364 -0.619 20 5 EBBDMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025783588 730087436 /nfs/dbraw/zinc/08/74/36/730087436.db2.gz PFMULZCDPSIPRJ-NHAGDIPZSA-N 1 1 343.347 -0.172 20 5 EBBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644478 731147973 /nfs/dbraw/zinc/14/79/73/731147973.db2.gz HMIVMQBLBDTEAP-FDYHWXHSSA-N 1 1 339.396 -0.306 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC000984147053 807192291 /nfs/dbraw/zinc/19/22/91/807192291.db2.gz JPXBXMJCHGAIQY-KYZUINATSA-N 1 1 334.340 -0.255 20 5 EBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001253912831 812690866 /nfs/dbraw/zinc/69/08/66/812690866.db2.gz OBTAAQSUQJBOBR-SNVBAGLBSA-N 1 1 338.368 -0.355 20 5 EBBDMO CC(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001266683205 813639256 /nfs/dbraw/zinc/63/92/56/813639256.db2.gz KJIHZOZGSSWWBU-WRWGMCAJSA-N 1 1 327.385 -0.404 20 5 EBBDMO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCOCC1 ZINC001268542920 814282627 /nfs/dbraw/zinc/28/26/27/814282627.db2.gz SJCZPLVICWFALU-IKGCNYHESA-N 1 1 340.380 -0.791 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001086135256 816242590 /nfs/dbraw/zinc/24/25/90/816242590.db2.gz VYTUYYMQHNUDTR-DTORHVGOSA-N 1 1 334.340 -0.255 20 5 EBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001298083972 821444587 /nfs/dbraw/zinc/44/45/87/821444587.db2.gz XPSMBFJWDYQZGU-LBPRGKRZSA-N 1 1 338.364 -0.281 20 5 EBBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@]1(CO)COCC[NH2+]1 ZINC001302503511 821751157 /nfs/dbraw/zinc/75/11/57/821751157.db2.gz JWJRQSOGJNPFSN-HNNXBMFYSA-N 1 1 349.347 -0.588 20 5 EBBDMO C[N@H+](CCO)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001303626114 821758637 /nfs/dbraw/zinc/75/86/37/821758637.db2.gz RRQVFBPEPIIWHD-UHFFFAOYSA-N 1 1 345.377 -0.348 20 5 EBBDMO C[N@@H+](CCO)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001303626114 821758640 /nfs/dbraw/zinc/75/86/40/821758640.db2.gz RRQVFBPEPIIWHD-UHFFFAOYSA-N 1 1 345.377 -0.348 20 5 EBBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1cnccn1 ZINC001317076119 821994670 /nfs/dbraw/zinc/99/46/70/821994670.db2.gz MEWRDPFLJNKSCE-GWOFURMSSA-N 1 1 334.336 -0.683 20 5 EBBDMO Cc1n[nH]c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC001318433016 822315600 /nfs/dbraw/zinc/31/56/00/822315600.db2.gz CDFBJQZSRJVRJZ-UHFFFAOYSA-N 1 1 338.368 -0.091 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnn2c1CCC2 ZINC001128923000 828549875 /nfs/dbraw/zinc/54/98/75/828549875.db2.gz MUKGRAYGELJBKX-UHFFFAOYSA-N 1 1 333.352 -0.009 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCCn1ccnn1 ZINC001129169267 828575765 /nfs/dbraw/zinc/57/57/65/828575765.db2.gz VDVOXOUIXMMQJG-UHFFFAOYSA-N 1 1 336.356 -0.394 20 5 EBBDMO CNC(=O)C[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001115885347 826591014 /nfs/dbraw/zinc/59/10/14/826591014.db2.gz CPCDHASTHMIUHM-UHFFFAOYSA-N 1 1 338.368 -0.492 20 5 EBBDMO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943447 828235463 /nfs/dbraw/zinc/23/54/63/828235463.db2.gz OVGMCBQERVYEEK-GHMZBOCLSA-N 1 1 338.368 -0.654 20 5 EBBDMO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126949397 828235528 /nfs/dbraw/zinc/23/55/28/828235528.db2.gz QQIRVHOFEFYPFF-CHWSQXEVSA-N 1 1 344.412 -0.464 20 5 EBBDMO C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001136875039 830091005 /nfs/dbraw/zinc/09/10/05/830091005.db2.gz WQSUCIFEGFHFRU-VXGBXAGGSA-N 1 1 337.380 -0.493 20 5 EBBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001141397353 830111801 /nfs/dbraw/zinc/11/18/01/830111801.db2.gz BVFVJDHORWVYPU-UHFFFAOYSA-N 1 1 344.759 -0.089 20 5 EBBDMO C[N@@H+](CCO)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001155250854 831395007 /nfs/dbraw/zinc/39/50/07/831395007.db2.gz DFFQVXQBKBQPGC-UHFFFAOYSA-N 1 1 334.336 -0.171 20 5 EBBDMO Cc1nc(CC(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC001157736321 831588214 /nfs/dbraw/zinc/58/82/14/831588214.db2.gz DXPWCQIKAGHCJI-UHFFFAOYSA-N 1 1 336.356 -0.407 20 5 EBBDMO Cc1csc(=O)n1CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774792 831591366 /nfs/dbraw/zinc/59/13/66/831591366.db2.gz AIRFTPNFZFZRQJ-GHMZBOCLSA-N 1 1 328.394 -0.021 20 5 EBBDMO Cc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001162437498 832040514 /nfs/dbraw/zinc/04/05/14/832040514.db2.gz UHDBBVRXSAYYSB-SOUVJXGZSA-N 1 1 329.364 -0.052 20 5 EBBDMO C[NH+](C)/C=C/c1cc(N2CN[C@H](N)[C@H]3NCN[C@@H]32)ncc1[N+](=O)[O-] ZINC001162446160 832044679 /nfs/dbraw/zinc/04/46/79/832044679.db2.gz HDUBCJPZIMNEQX-FOSLFWNOSA-N 1 1 334.384 -0.981 20 5 EBBDMO [NH3+][C@@H]1NCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]2NCN[C@@H]21 ZINC001172908639 832583010 /nfs/dbraw/zinc/58/30/10/832583010.db2.gz XXMNMOUACNBDDZ-DTZQCDIJSA-N 1 1 332.408 -0.165 20 5 EBBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1cnccn1 ZINC001200461468 835970631 /nfs/dbraw/zinc/97/06/31/835970631.db2.gz DBPNPBZSHSCPDC-VXGBXAGGSA-N 1 1 348.363 -0.339 20 5 EBBDMO CCc1n[nH]c(C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC001325622675 839899544 /nfs/dbraw/zinc/89/95/44/839899544.db2.gz WYWILDNKPHSZDW-UHFFFAOYSA-N 1 1 338.368 -0.180 20 5 EBBDMO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCS(C)(=O)=O ZINC001691365079 1125854047 /nfs/dbraw/zinc/85/40/47/1125854047.db2.gz NSQNQNLJFXSNEI-UHFFFAOYSA-N 1 1 347.397 -0.689 20 5 EBBDMO CN(C)C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484136005 1126508407 /nfs/dbraw/zinc/50/84/07/1126508407.db2.gz QTVTWXNWMJJPAO-VXGBXAGGSA-N 1 1 326.397 -0.042 20 5 EBBDMO CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484567707 1126603878 /nfs/dbraw/zinc/60/38/78/1126603878.db2.gz STJDXWXVVRTYOG-FDYHWXHSSA-N 1 1 347.437 -0.039 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)c1 ZINC000592429231 377836037 /nfs/dbraw/zinc/83/60/37/377836037.db2.gz ALKZVNJPMRQVKT-ZIAGYGMSSA-N 1 1 327.385 -0.411 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594604232 377944845 /nfs/dbraw/zinc/94/48/45/377944845.db2.gz UGRHOXTVCVXPPJ-VHSXEESVSA-N 1 1 342.377 -0.503 20 5 EBBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826886 378028670 /nfs/dbraw/zinc/02/86/70/378028670.db2.gz PNHSOACLYIHHQQ-AAEUAGOBSA-N 1 1 340.384 -0.160 20 5 EBBDMO NS(=O)(=O)c1c(NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599175942 378201352 /nfs/dbraw/zinc/20/13/52/378201352.db2.gz KFNWWELNECOFAY-SECBINFHSA-N 1 1 330.366 -0.279 20 5 EBBDMO CNS(=O)(=O)c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599201860 378205221 /nfs/dbraw/zinc/20/52/21/378205221.db2.gz LAYKVKYAXMFRFY-JTQLQIEISA-N 1 1 344.393 -0.019 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000599509695 378257218 /nfs/dbraw/zinc/25/72/18/378257218.db2.gz OTYYFZHEBANEHP-LBPRGKRZSA-N 1 1 334.340 -0.841 20 5 EBBDMO CNc1nccc(C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)c1[N+](=O)[O-] ZINC000568105025 378330007 /nfs/dbraw/zinc/33/00/07/378330007.db2.gz MEBIZGHEPONWOG-UHFFFAOYSA-N 1 1 333.352 -0.114 20 5 EBBDMO Cc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000341854604 378379303 /nfs/dbraw/zinc/37/93/03/378379303.db2.gz XDYVBBSUARMVBA-SNVBAGLBSA-N 1 1 338.368 -0.056 20 5 EBBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000418922082 379337532 /nfs/dbraw/zinc/33/75/32/379337532.db2.gz DJJZYXBRBQGIOQ-UHFFFAOYSA-N 1 1 346.290 -0.070 20 5 EBBDMO NC(=O)[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351635691 379633678 /nfs/dbraw/zinc/63/36/78/379633678.db2.gz XXCZKERHKPTDQP-DOMZBBRYSA-N 1 1 334.332 -0.378 20 5 EBBDMO NC(=O)[C@]1(O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351635691 379633687 /nfs/dbraw/zinc/63/36/87/379633687.db2.gz XXCZKERHKPTDQP-DOMZBBRYSA-N 1 1 334.332 -0.378 20 5 EBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000352841117 379686162 /nfs/dbraw/zinc/68/61/62/379686162.db2.gz ZLHUYFFDXMPCHT-NSHDSACASA-N 1 1 336.352 -0.304 20 5 EBBDMO C[C@@](O)(CNC(=O)Nc1ccncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000352926539 379686241 /nfs/dbraw/zinc/68/62/41/379686241.db2.gz VPHRXJFWWAXFBQ-CQSZACIVSA-N 1 1 339.352 -0.384 20 5 EBBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189422065 380907321 /nfs/dbraw/zinc/90/73/21/380907321.db2.gz RVDSFHAQAPHKDX-OCCSQVGLSA-N 1 1 341.412 -0.071 20 5 EBBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000619496778 381295528 /nfs/dbraw/zinc/29/55/28/381295528.db2.gz NRPUISZHKHFOSY-CYBMUJFWSA-N 1 1 345.377 -0.052 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000173570206 154101083 /nfs/dbraw/zinc/10/10/83/154101083.db2.gz DBIPSOGGSUDHAW-ZDUSSCGKSA-N 1 1 333.352 -0.236 20 5 EBBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000261707999 154197974 /nfs/dbraw/zinc/19/79/74/154197974.db2.gz KIXPCBDTEWAMMV-LBPRGKRZSA-N 1 1 346.347 -0.337 20 5 EBBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000266946522 154359716 /nfs/dbraw/zinc/35/97/16/154359716.db2.gz QWIPIRHJTWUEMI-NSHDSACASA-N 1 1 339.352 -0.113 20 5 EBBDMO COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)C[N@@H+](C)C2CC2)c1=O ZINC000357433116 157143455 /nfs/dbraw/zinc/14/34/55/157143455.db2.gz CRVBIVGCUWCISN-LLVKDONJSA-N 1 1 325.321 -0.002 20 5 EBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186673810 419644789 /nfs/dbraw/zinc/64/47/89/419644789.db2.gz AMTKBOSMKZQKMP-NSHDSACASA-N 1 1 336.352 -0.786 20 5 EBBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000416293031 419860925 /nfs/dbraw/zinc/86/09/25/419860925.db2.gz JHAHSDLWEALJIE-NWDGAFQWSA-N 1 1 338.364 -0.330 20 5 EBBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494715846 420943690 /nfs/dbraw/zinc/94/36/90/420943690.db2.gz ASZAUOYXOHCKSE-JQWIXIFHSA-N 1 1 347.397 -0.834 20 5 EBBDMO CNc1nccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000597625541 421221049 /nfs/dbraw/zinc/22/10/49/421221049.db2.gz PBUAFSGFFDHYTM-NSHDSACASA-N 1 1 334.380 0.151 20 5 EBBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419500115 264871248 /nfs/dbraw/zinc/87/12/48/264871248.db2.gz WTQJZRXNEUMSBJ-NWDGAFQWSA-N 1 1 340.384 -0.112 20 5 EBBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000427463388 265106845 /nfs/dbraw/zinc/10/68/45/265106845.db2.gz SFCZMJZRGJYQHJ-SNVBAGLBSA-N 1 1 338.368 -0.119 20 5 EBBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000447657578 265377564 /nfs/dbraw/zinc/37/75/64/265377564.db2.gz UCGMLUURVGPUSK-UHFFFAOYSA-N 1 1 326.357 -0.245 20 5 EBBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000447657578 265377567 /nfs/dbraw/zinc/37/75/67/265377567.db2.gz UCGMLUURVGPUSK-UHFFFAOYSA-N 1 1 326.357 -0.245 20 5 EBBDMO COC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000339354001 277243845 /nfs/dbraw/zinc/24/38/45/277243845.db2.gz JWMZNQUAZVFDNI-JQWIXIFHSA-N 1 1 327.337 -0.233 20 5 EBBDMO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000339354001 277243846 /nfs/dbraw/zinc/24/38/46/277243846.db2.gz JWMZNQUAZVFDNI-JQWIXIFHSA-N 1 1 327.337 -0.233 20 5 EBBDMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882637906 584592768 /nfs/dbraw/zinc/59/27/68/584592768.db2.gz ZRNXRSPODMWWMB-BFHYXJOUSA-N 1 1 326.397 -0.436 20 5 EBBDMO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000882637906 584592769 /nfs/dbraw/zinc/59/27/69/584592769.db2.gz ZRNXRSPODMWWMB-BFHYXJOUSA-N 1 1 326.397 -0.436 20 5 EBBDMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000882637906 584592772 /nfs/dbraw/zinc/59/27/72/584592772.db2.gz ZRNXRSPODMWWMB-BFHYXJOUSA-N 1 1 326.397 -0.436 20 5 EBBDMO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CS(C)(=O)=O ZINC000075741292 584667811 /nfs/dbraw/zinc/66/78/11/584667811.db2.gz GJAOUAGOWLYJSM-CMPLNLGQSA-N 1 1 334.398 -0.093 20 5 EBBDMO 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O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186646111 154144424 /nfs/dbraw/zinc/14/44/24/154144424.db2.gz YZBMQLOLCCYEHE-NSHDSACASA-N 1 1 336.352 -0.786 20 5 EBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000246753972 154182939 /nfs/dbraw/zinc/18/29/39/154182939.db2.gz OANFBAYPHDUFCY-RYUDHWBXSA-N 1 1 338.364 -0.330 20 5 EBBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](CC)CCO)c([N+](=O)[O-])n1 ZINC000345928951 156371333 /nfs/dbraw/zinc/37/13/33/156371333.db2.gz AMPYEMHMHCUALZ-UHFFFAOYSA-N 1 1 335.386 -0.596 20 5 EBBDMO C[C@@](O)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000358364418 157236272 /nfs/dbraw/zinc/23/62/72/157236272.db2.gz ZIIQQMPAZRLCOC-CQSZACIVSA-N 1 1 341.368 -0.619 20 5 EBBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000296994943 419966360 /nfs/dbraw/zinc/96/63/60/419966360.db2.gz QMUMMNFZLMZCEF-ZDUSSCGKSA-N 1 1 335.364 -0.031 20 5 EBBDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000296994943 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PKVYHYHEZAPHAE-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000583943628 421220702 /nfs/dbraw/zinc/22/07/02/421220702.db2.gz PKVYHYHEZAPHAE-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000583943629 421220776 /nfs/dbraw/zinc/22/07/76/421220776.db2.gz PKVYHYHEZAPHAE-MNOVXSKESA-N 1 1 337.380 0.559 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000583943629 421220777 /nfs/dbraw/zinc/22/07/77/421220777.db2.gz PKVYHYHEZAPHAE-MNOVXSKESA-N 1 1 337.380 0.559 20 5 EBBDMO O=C([C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000430613409 265150695 /nfs/dbraw/zinc/15/06/95/265150695.db2.gz WLQJRHNPGQXYTO-CYBMUJFWSA-N 1 1 336.396 -0.065 20 5 EBBDMO O=C([C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000430613409 265150698 /nfs/dbraw/zinc/15/06/98/265150698.db2.gz WLQJRHNPGQXYTO-CYBMUJFWSA-N 1 1 336.396 -0.065 20 5 EBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(CCO)CC1 ZINC000438718148 265259300 /nfs/dbraw/zinc/25/93/00/265259300.db2.gz WOLTUCLAMSTNJE-CQSZACIVSA-N 1 1 327.385 -0.459 20 5 EBBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000275854949 274271319 /nfs/dbraw/zinc/27/13/19/274271319.db2.gz SHQSBOPPKRDPJM-SNVBAGLBSA-N 1 1 344.393 -0.255 20 5 EBBDMO [NH3+]Cc1nnnn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000830454958 583967074 /nfs/dbraw/zinc/96/70/74/583967074.db2.gz GGSJXDPVYHYXSN-UHFFFAOYSA-N 1 1 346.351 -0.611 20 5 EBBDMO CNC(=O)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843110912 584071328 /nfs/dbraw/zinc/07/13/28/584071328.db2.gz PSGJRFYADDUFKW-NSHDSACASA-N 1 1 331.350 -0.935 20 5 EBBDMO COc1nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164668439 719392551 /nfs/dbraw/zinc/39/25/51/719392551.db2.gz RMRYWSZNSXYWOB-IUCAKERBSA-N 1 1 325.325 -0.079 20 5 EBBDMO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCC1 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C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C2 ZINC001224796752 811776700 /nfs/dbraw/zinc/77/67/00/811776700.db2.gz KWLRHGMVJJBARY-URLYPYJESA-N 1 1 328.325 -0.280 20 5 EBBDMO CN(CC[NH2+]CC(=O)NCc1cccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267370632 813862963 /nfs/dbraw/zinc/86/29/63/813862963.db2.gz CARNBRAHNUSTIY-CHWSQXEVSA-N 1 1 335.364 -0.589 20 5 EBBDMO CN(CCC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276002302 817336789 /nfs/dbraw/zinc/33/67/89/817336789.db2.gz PFLLFMCPSDGGIQ-GHMZBOCLSA-N 1 1 336.352 -0.482 20 5 EBBDMO Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001278707983 817797224 /nfs/dbraw/zinc/79/72/24/817797224.db2.gz YCSYJFRPTKHCLG-VXGBXAGGSA-N 1 1 338.368 -0.765 20 5 EBBDMO CC(C)[N@@H+](C)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100149905 820298592 /nfs/dbraw/zinc/29/85/92/820298592.db2.gz VDBDPFUHHUNDBH-UHFFFAOYSA-N 1 1 325.373 -0.140 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1ccnn1C 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JEMBCQYDAKXBET-UHFFFAOYSA-N 1 1 333.352 -0.043 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001134667571 829826096 /nfs/dbraw/zinc/82/60/96/829826096.db2.gz SAZJMONYUJKRKN-UHFFFAOYSA-N 1 1 347.397 -0.643 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCCCC(N)=O ZINC001147118831 830290003 /nfs/dbraw/zinc/29/00/03/830290003.db2.gz DLHPPMHNYKTTSO-UHFFFAOYSA-N 1 1 326.357 -0.420 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148287825 830465332 /nfs/dbraw/zinc/46/53/32/830465332.db2.gz BVLFCWVRTKGIGG-UHFFFAOYSA-N 1 1 334.336 -0.453 20 5 EBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@@H]2NCN[C@H]21 ZINC001162435537 832038494 /nfs/dbraw/zinc/03/84/94/832038494.db2.gz CYCAYTZRMHNGQB-IONOHQLYSA-N 1 1 334.167 -0.207 20 5 EBBDMO NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001162810612 832064189 /nfs/dbraw/zinc/06/41/89/832064189.db2.gz NNHQDUHWRIIQLD-ZIAGYGMSSA-N 1 1 334.376 -0.202 20 5 EBBDMO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001163881858 832149090 /nfs/dbraw/zinc/14/90/90/832149090.db2.gz AUJJAYOVVONLAX-JTQLQIEISA-N 1 1 344.393 -0.384 20 5 EBBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001163881858 832149097 /nfs/dbraw/zinc/14/90/97/832149097.db2.gz AUJJAYOVVONLAX-JTQLQIEISA-N 1 1 344.393 -0.384 20 5 EBBDMO CS(=O)(=O)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494552 832191580 /nfs/dbraw/zinc/19/15/80/832191580.db2.gz LTZUKGLXFCEMCE-VXGBXAGGSA-N 1 1 347.437 -0.038 20 5 EBBDMO C[N@@H+](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CCOCCO ZINC001175823434 832646874 /nfs/dbraw/zinc/64/68/74/832646874.db2.gz WGIRCZHLKVAVCG-UHFFFAOYSA-N 1 1 335.748 -0.358 20 5 EBBDMO Cn1nnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458695 832868569 /nfs/dbraw/zinc/86/85/69/832868569.db2.gz SPFACSWTUCCIGC-GHMZBOCLSA-N 1 1 325.373 -0.359 20 5 EBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001190700253 834320768 /nfs/dbraw/zinc/32/07/68/834320768.db2.gz WGNAZXKOWDQOMK-LLVKDONJSA-N 1 1 346.413 -0.395 20 5 EBBDMO COc1cc(S(=O)(=O)NCC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001213684508 837837956 /nfs/dbraw/zinc/83/79/56/837837956.db2.gz CQVRNBGJAZWPBR-UHFFFAOYSA-N 1 1 333.366 -0.194 20 5 EBBDMO COc1cc(S(=O)(=O)NCC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001213684508 837837970 /nfs/dbraw/zinc/83/79/70/837837970.db2.gz CQVRNBGJAZWPBR-UHFFFAOYSA-N 1 1 333.366 -0.194 20 5 EBBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323616887 839485299 /nfs/dbraw/zinc/48/52/99/839485299.db2.gz QAPLMAGFVQPOIE-UHFFFAOYSA-N 1 1 338.368 -0.540 20 5 EBBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001325870680 839964820 /nfs/dbraw/zinc/96/48/20/839964820.db2.gz HIWJVJOISIZBMI-JSGCOSHPSA-N 1 1 326.401 -0.622 20 5 EBBDMO CCOCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CCOC)CC1 ZINC001345647571 843414065 /nfs/dbraw/zinc/41/40/65/843414065.db2.gz QHOPCBXLXNYONQ-UHFFFAOYSA-N 1 1 342.400 -0.140 20 5 EBBDMO O=c1[n-]nc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000283915203 376247885 /nfs/dbraw/zinc/24/78/85/376247885.db2.gz GECSOSXSIUUNNH-KOLCDFICSA-N 1 1 338.324 -0.292 20 5 EBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408074881 376304489 /nfs/dbraw/zinc/30/44/89/376304489.db2.gz SBELQWGJZPHJSY-LLVKDONJSA-N 1 1 336.352 -0.304 20 5 EBBDMO Cn1c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000362648101 376759259 /nfs/dbraw/zinc/75/92/59/376759259.db2.gz HFJJRCZQORJYOM-NSHDSACASA-N 1 1 335.364 -0.030 20 5 EBBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363349731 376799001 /nfs/dbraw/zinc/79/90/01/376799001.db2.gz RLURLSNOWWVBIW-NWDGAFQWSA-N 1 1 347.397 -0.834 20 5 EBBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363349732 376799463 /nfs/dbraw/zinc/79/94/63/376799463.db2.gz RLURLSNOWWVBIW-RYUDHWBXSA-N 1 1 347.397 -0.834 20 5 EBBDMO CCCc1[nH]nc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000594879000 377966034 /nfs/dbraw/zinc/96/60/34/377966034.db2.gz QSMGQWVTEGRUQV-RKDXNWHRSA-N 1 1 336.352 -0.346 20 5 EBBDMO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000571909676 378564467 /nfs/dbraw/zinc/56/44/67/378564467.db2.gz ANQNMSSJVABGGP-ZFWWWQNUSA-N 1 1 340.428 -0.375 20 5 EBBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000015209337 379207412 /nfs/dbraw/zinc/20/74/12/379207412.db2.gz VIWGRHWCYIGBJC-UHFFFAOYSA-N 1 1 344.393 -0.383 20 5 EBBDMO CC(=O)N1CCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274996006 379461749 /nfs/dbraw/zinc/46/17/49/379461749.db2.gz NHXKTJQGDPBFQG-UHFFFAOYSA-N 1 1 337.336 -0.411 20 5 EBBDMO C[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@@H+]1CCO ZINC000490079374 379561989 /nfs/dbraw/zinc/56/19/89/379561989.db2.gz ZJEJLOOVPQZCPB-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO C[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@H+]1CCO ZINC000490079374 379562000 /nfs/dbraw/zinc/56/20/00/379562000.db2.gz ZJEJLOOVPQZCPB-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000490084060 379562571 /nfs/dbraw/zinc/56/25/71/379562571.db2.gz XRTJCEIPZQHTEU-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000490084060 379562582 /nfs/dbraw/zinc/56/25/82/379562582.db2.gz XRTJCEIPZQHTEU-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602902860 379679358 /nfs/dbraw/zinc/67/93/58/379679358.db2.gz FQKUNDOEMXTNGS-UONOGXRCSA-N 1 1 325.365 -0.057 20 5 EBBDMO C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602902860 379679370 /nfs/dbraw/zinc/67/93/70/379679370.db2.gz FQKUNDOEMXTNGS-UONOGXRCSA-N 1 1 325.365 -0.057 20 5 EBBDMO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000134098996 379731784 /nfs/dbraw/zinc/73/17/84/379731784.db2.gz AWMRGGIKKHYSQS-UHFFFAOYSA-N 1 1 336.352 -0.302 20 5 EBBDMO NC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480394 380890011 /nfs/dbraw/zinc/89/00/11/380890011.db2.gz SADCLKSHZNTNGZ-RISCZKNCSA-N 1 1 325.321 -0.743 20 5 EBBDMO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000576821871 381920947 /nfs/dbraw/zinc/92/09/47/381920947.db2.gz CULANFLFYGWRRC-MRVPVSSYSA-N 1 1 336.274 -0.116 20 5 EBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000174316288 154104376 /nfs/dbraw/zinc/10/43/76/154104376.db2.gz OANFBAYPHDUFCY-NWDGAFQWSA-N 1 1 338.364 -0.330 20 5 EBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000186553371 154143542 /nfs/dbraw/zinc/14/35/42/154143542.db2.gz OANPVKGFNINONS-VXGBXAGGSA-N 1 1 340.384 -0.112 20 5 EBBDMO COc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358190252 157227168 /nfs/dbraw/zinc/22/71/68/157227168.db2.gz DTQVFPMYRCHDQC-ZDUSSCGKSA-N 1 1 345.377 -0.052 20 5 EBBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358217926 157229431 /nfs/dbraw/zinc/22/94/31/157229431.db2.gz VSJCSNJPXUMTTN-ZDUSSCGKSA-N 1 1 345.377 -0.052 20 5 EBBDMO CNS(=O)(=O)c1ccc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358332547 157233694 /nfs/dbraw/zinc/23/36/94/157233694.db2.gz UDOJHRFUWPBVPQ-CYBMUJFWSA-N 1 1 344.393 -0.019 20 5 EBBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842142 420530426 /nfs/dbraw/zinc/53/04/26/420530426.db2.gz RGQNCUZIAHNTRL-JTQLQIEISA-N 1 1 332.386 -0.704 20 5 EBBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711686 265211762 /nfs/dbraw/zinc/21/17/62/265211762.db2.gz QSMMGDGPNLDQJD-GXTWGEPZSA-N 1 1 327.385 -0.195 20 5 EBBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711688 265212651 /nfs/dbraw/zinc/21/26/51/265212651.db2.gz QSMMGDGPNLDQJD-OCCSQVGLSA-N 1 1 327.385 -0.195 20 5 EBBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1CC(C)(C)O ZINC000444555972 265365183 /nfs/dbraw/zinc/36/51/83/265365183.db2.gz ULGGIHZLUVDQNK-JTQLQIEISA-N 1 1 326.357 -0.510 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC[N@@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000368715810 295289375 /nfs/dbraw/zinc/28/93/75/295289375.db2.gz PLLDSUQACNBVCK-SNVBAGLBSA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC[N@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000368715810 295289378 /nfs/dbraw/zinc/28/93/78/295289378.db2.gz PLLDSUQACNBVCK-SNVBAGLBSA-N 1 1 342.377 -0.237 20 5 EBBDMO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000854114503 584235275 /nfs/dbraw/zinc/23/52/75/584235275.db2.gz XLOJJIZSALNQBJ-SKDRFNHKSA-N 1 1 340.311 -0.017 20 5 EBBDMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000854114503 584235276 /nfs/dbraw/zinc/23/52/76/584235276.db2.gz XLOJJIZSALNQBJ-SKDRFNHKSA-N 1 1 340.311 -0.017 20 5 EBBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374439 584369415 /nfs/dbraw/zinc/36/94/15/584369415.db2.gz PTGIUALLPRMKMN-LLVKDONJSA-N 1 1 326.357 -0.341 20 5 EBBDMO C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000931413054 651632331 /nfs/dbraw/zinc/63/23/31/651632331.db2.gz WHVCEHCPWQIGJH-KGLIPLIRSA-N 1 1 325.365 -0.057 20 5 EBBDMO C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000931413054 651632332 /nfs/dbraw/zinc/63/23/32/651632332.db2.gz WHVCEHCPWQIGJH-KGLIPLIRSA-N 1 1 325.365 -0.057 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000941011955 653376891 /nfs/dbraw/zinc/37/68/91/653376891.db2.gz WSNOTAUUVFNMNV-CHWSQXEVSA-N 1 1 336.392 -0.192 20 5 EBBDMO O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C12CCC[NH+](CCC1)C2 ZINC000994841342 726097550 /nfs/dbraw/zinc/09/75/50/726097550.db2.gz BZUKSOCIBFVXRT-CHWSQXEVSA-N 1 1 336.392 -0.145 20 5 EBBDMO C[NH+](C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000976492065 726328345 /nfs/dbraw/zinc/32/83/45/726328345.db2.gz GVZXLKHOXRBTEB-LBELIVKGSA-N 1 1 336.392 -0.291 20 5 EBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048814694 734520956 /nfs/dbraw/zinc/52/09/56/734520956.db2.gz XTFOHTDUVBBFGV-YVECIDJPSA-N 1 1 337.380 -0.933 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048814694 734520960 /nfs/dbraw/zinc/52/09/60/734520960.db2.gz XTFOHTDUVBBFGV-YVECIDJPSA-N 1 1 337.380 -0.933 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048814694 734520962 /nfs/dbraw/zinc/52/09/62/734520962.db2.gz XTFOHTDUVBBFGV-YVECIDJPSA-N 1 1 337.380 -0.933 20 5 EBBDMO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114300 740705807 /nfs/dbraw/zinc/70/58/07/740705807.db2.gz JKWKYZNSKINMQR-VXGBXAGGSA-N 1 1 342.396 -0.615 20 5 EBBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000156822022 803754225 /nfs/dbraw/zinc/75/42/25/803754225.db2.gz QLKNAFQFDDDJKD-JSGCOSHPSA-N 1 1 325.369 -0.048 20 5 EBBDMO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000156821902 803754663 /nfs/dbraw/zinc/75/46/63/803754663.db2.gz QLKNAFQFDDDJKD-OCCSQVGLSA-N 1 1 325.369 -0.048 20 5 EBBDMO Cc1csc(=O)n1CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273712 813504220 /nfs/dbraw/zinc/50/42/20/813504220.db2.gz YYRSZPLTNRLWSO-GHMZBOCLSA-N 1 1 328.394 -0.069 20 5 EBBDMO CCS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001267473821 813911183 /nfs/dbraw/zinc/91/11/83/813911183.db2.gz KNBVYWDQUACUPW-UHFFFAOYSA-N 1 1 347.397 -0.689 20 5 EBBDMO NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001096256514 818757743 /nfs/dbraw/zinc/75/77/43/818757743.db2.gz FLQWIZPWBGMHED-UHFFFAOYSA-N 1 1 336.352 -0.897 20 5 EBBDMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097570494 819003955 /nfs/dbraw/zinc/00/39/55/819003955.db2.gz ARMAARXYHPPKLH-IWIIMEHWSA-N 1 1 349.395 -0.140 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC001118846731 827007413 /nfs/dbraw/zinc/00/74/13/827007413.db2.gz OJPJNXCGRCTLOQ-UPJWGTAASA-N 1 1 344.393 -0.196 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC001118846731 827007423 /nfs/dbraw/zinc/00/74/23/827007423.db2.gz OJPJNXCGRCTLOQ-UPJWGTAASA-N 1 1 344.393 -0.196 20 5 EBBDMO CC(C)(C)n1nnc(CC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936783 828234013 /nfs/dbraw/zinc/23/40/13/828234013.db2.gz RMWIXJCYMUICMY-NXEZZACHSA-N 1 1 325.373 -0.658 20 5 EBBDMO O=C(NCC[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936466 828234058 /nfs/dbraw/zinc/23/40/58/828234058.db2.gz JLUIXHUSIGVJKT-TZMCWYRMSA-N 1 1 345.359 -0.233 20 5 EBBDMO CC(=O)NCC(C)(C)C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001135170260 829913812 /nfs/dbraw/zinc/91/38/12/829913812.db2.gz WOQXOSJNZPNXRV-UHFFFAOYSA-N 1 1 340.384 -0.304 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816049 830030818 /nfs/dbraw/zinc/03/08/18/830030818.db2.gz FZNUCYGJWSTRFG-UHFFFAOYSA-N 1 1 335.324 -0.725 20 5 EBBDMO COCc1nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001136030776 830067475 /nfs/dbraw/zinc/06/74/75/830067475.db2.gz SDJYJXHFWSNDGF-UHFFFAOYSA-N 1 1 338.324 -0.018 20 5 EBBDMO CCNC(=O)CCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001148184695 830454674 /nfs/dbraw/zinc/45/46/74/830454674.db2.gz USEOZECTWWHVBQ-UHFFFAOYSA-N 1 1 340.384 -0.160 20 5 EBBDMO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775810 831593174 /nfs/dbraw/zinc/59/31/74/831593174.db2.gz YCMYISLYWXNJIZ-GHMZBOCLSA-N 1 1 343.384 -0.627 20 5 EBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@H]2NCN[C@@H]21 ZINC001162435534 832038447 /nfs/dbraw/zinc/03/84/47/832038447.db2.gz CYCAYTZRMHNGQB-GTNGPMTGSA-N 1 1 334.167 -0.207 20 5 EBBDMO COC(=O)c1nc(Cl)nc(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001166723373 832283714 /nfs/dbraw/zinc/28/37/14/832283714.db2.gz BICVVVUGOHVVKB-RXMQYKEDSA-N 1 1 344.715 -0.912 20 5 EBBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001353312747 832421423 /nfs/dbraw/zinc/42/14/23/832421423.db2.gz VCYAJMOPHOIGRH-HIFRSBDPSA-N 1 1 340.428 -0.232 20 5 EBBDMO C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)CCC1 ZINC001354114944 832465169 /nfs/dbraw/zinc/46/51/69/832465169.db2.gz KSVWZOHBTGULEZ-LBELIVKGSA-N 1 1 336.392 -0.291 20 5 EBBDMO CN(CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001200472573 835971863 /nfs/dbraw/zinc/97/18/63/835971863.db2.gz RJWSWLDGKXFNJA-VXGBXAGGSA-N 1 1 348.425 -0.876 20 5 EBBDMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001690996919 1125797080 /nfs/dbraw/zinc/79/70/80/1125797080.db2.gz ZCRQMTWZCBCURT-UHFFFAOYSA-N 1 1 344.393 -0.308 20 5 EBBDMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1cnccn1 ZINC001691093024 1125832528 /nfs/dbraw/zinc/83/25/28/1125832528.db2.gz FBHKFTGDRWXUEJ-WRWGMCAJSA-N 1 1 348.363 -0.435 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2c[nH]c(=O)n2C)CC1 ZINC001670832367 1126237930 /nfs/dbraw/zinc/23/79/30/1126237930.db2.gz AJQMQNXWEMQEMW-UHFFFAOYSA-N 1 1 349.351 -0.180 20 5 EBBDMO CCN1CCN([C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001356570778 1130881261 /nfs/dbraw/zinc/88/12/61/1130881261.db2.gz VJERCATYNJNREC-ZFWWWQNUSA-N 1 1 340.428 -0.232 20 5 EBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000609664989 375988391 /nfs/dbraw/zinc/98/83/91/375988391.db2.gz RAXVBGCGDOPIKV-LBPRGKRZSA-N 1 1 337.384 -0.575 20 5 EBBDMO CC1(C)CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000588630403 376384415 /nfs/dbraw/zinc/38/44/15/376384415.db2.gz NNXMQCNUKPFNPA-UHFFFAOYSA-N 1 1 340.384 -0.111 20 5 EBBDMO C[NH+]1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000082250975 377000387 /nfs/dbraw/zinc/00/03/87/377000387.db2.gz VHVUABDWAUIFLF-UHFFFAOYSA-N 1 1 332.316 -0.035 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000589103453 377399762 /nfs/dbraw/zinc/39/97/62/377399762.db2.gz YYTLZJGJVYBQBK-UHFFFAOYSA-N 1 1 330.366 -0.644 20 5 EBBDMO C[NH+]1CCC2(CC1)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000592181903 377809110 /nfs/dbraw/zinc/80/91/10/377809110.db2.gz IZPZECZLDWAINC-AWEZNQCLSA-N 1 1 339.396 -0.051 20 5 EBBDMO Cn1cnnc1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594023701 377925149 /nfs/dbraw/zinc/92/51/49/377925149.db2.gz SHDZEVMCJXIGCL-LBPRGKRZSA-N 1 1 336.356 -0.897 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599203016 378206214 /nfs/dbraw/zinc/20/62/14/378206214.db2.gz UDOVOPMMXKWXHQ-JTQLQIEISA-N 1 1 330.366 -0.279 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599203016 378206220 /nfs/dbraw/zinc/20/62/20/378206220.db2.gz UDOVOPMMXKWXHQ-JTQLQIEISA-N 1 1 330.366 -0.279 20 5 EBBDMO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000249318047 379167966 /nfs/dbraw/zinc/16/79/66/379167966.db2.gz FTEYSQITMKESGC-TZMCWYRMSA-N 1 1 341.412 -0.071 20 5 EBBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000349662683 379300926 /nfs/dbraw/zinc/30/09/26/379300926.db2.gz OEEHXEKDHOKWSS-NSHDSACASA-N 1 1 339.352 -0.113 20 5 EBBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000349662683 379300936 /nfs/dbraw/zinc/30/09/36/379300936.db2.gz OEEHXEKDHOKWSS-NSHDSACASA-N 1 1 339.352 -0.113 20 5 EBBDMO COCCN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000368952478 379375127 /nfs/dbraw/zinc/37/51/27/379375127.db2.gz VQHTZTRTGAZJDK-ZDUSSCGKSA-N 1 1 341.368 -0.667 20 5 EBBDMO COCCN1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000368952478 379375133 /nfs/dbraw/zinc/37/51/33/379375133.db2.gz VQHTZTRTGAZJDK-ZDUSSCGKSA-N 1 1 341.368 -0.667 20 5 EBBDMO CC[N@@H+](CCO)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274487058 379455657 /nfs/dbraw/zinc/45/56/57/379455657.db2.gz BGULVBWEDSGIPY-UHFFFAOYSA-N 1 1 338.364 -0.245 20 5 EBBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC000282402271 379538898 /nfs/dbraw/zinc/53/88/98/379538898.db2.gz FIPUAAIVKFRFCW-RYUDHWBXSA-N 1 1 339.352 -0.379 20 5 EBBDMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000353667113 379697215 /nfs/dbraw/zinc/69/72/15/379697215.db2.gz FIPMTAHPKNPPHW-GFCCVEGCSA-N 1 1 349.347 -0.918 20 5 EBBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272922944 380921397 /nfs/dbraw/zinc/92/13/97/380921397.db2.gz QPDOPBPPGPLJMG-NSHDSACASA-N 1 1 343.409 -0.100 20 5 EBBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458546759 381245807 /nfs/dbraw/zinc/24/58/07/381245807.db2.gz AOGYVIXPZYCYHS-LLVKDONJSA-N 1 1 326.357 -0.501 20 5 EBBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458546759 381245818 /nfs/dbraw/zinc/24/58/18/381245818.db2.gz AOGYVIXPZYCYHS-LLVKDONJSA-N 1 1 326.357 -0.501 20 5 EBBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000609664988 382037323 /nfs/dbraw/zinc/03/73/23/382037323.db2.gz RAXVBGCGDOPIKV-GFCCVEGCSA-N 1 1 337.384 -0.575 20 5 EBBDMO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189828155 154154507 /nfs/dbraw/zinc/15/45/07/154154507.db2.gz VAOAMZJVKXVPHQ-QWHCGFSZSA-N 1 1 325.369 -0.001 20 5 EBBDMO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189828155 154154510 /nfs/dbraw/zinc/15/45/10/154154510.db2.gz VAOAMZJVKXVPHQ-QWHCGFSZSA-N 1 1 325.369 -0.001 20 5 EBBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000264591379 154286355 /nfs/dbraw/zinc/28/63/55/154286355.db2.gz GPCZLVCBCDSLHC-SNVBAGLBSA-N 1 1 338.368 -0.050 20 5 EBBDMO CNS(=O)(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000291104740 155015180 /nfs/dbraw/zinc/01/51/80/155015180.db2.gz JTFVYXNGCVCXAX-UHFFFAOYSA-N 1 1 332.386 -0.691 20 5 EBBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298335151 155107887 /nfs/dbraw/zinc/10/78/87/155107887.db2.gz YHDWPOPTPOOOEM-UHFFFAOYSA-N 1 1 336.352 -0.289 20 5 EBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000343620099 156149583 /nfs/dbraw/zinc/14/95/83/156149583.db2.gz UNUUBGWQPOHFAN-CQSZACIVSA-N 1 1 341.368 -0.701 20 5 EBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000356452106 157067342 /nfs/dbraw/zinc/06/73/42/157067342.db2.gz XRBFGTGBJJIRLD-SNVBAGLBSA-N 1 1 338.368 -0.355 20 5 EBBDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742750 419013611 /nfs/dbraw/zinc/01/36/11/419013611.db2.gz KHKSASYATMKLBK-JQWIXIFHSA-N 1 1 334.398 -0.093 20 5 EBBDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742750 419013616 /nfs/dbraw/zinc/01/36/16/419013616.db2.gz KHKSASYATMKLBK-JQWIXIFHSA-N 1 1 334.398 -0.093 20 5 EBBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842135 420530484 /nfs/dbraw/zinc/53/04/84/420530484.db2.gz RGQNCUZIAHNTRL-SNVBAGLBSA-N 1 1 332.386 -0.704 20 5 EBBDMO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000413468132 420622051 /nfs/dbraw/zinc/62/20/51/420622051.db2.gz BKWIRRNDWWDFQS-UHFFFAOYSA-N 1 1 326.357 -0.250 20 5 EBBDMO CCOCCN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174782249 420953258 /nfs/dbraw/zinc/95/32/58/420953258.db2.gz ZXZMOVRMBQDDSK-AWEZNQCLSA-N 1 1 327.385 -0.194 20 5 EBBDMO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000394103179 420937809 /nfs/dbraw/zinc/93/78/09/420937809.db2.gz MZUZHVINONREFB-VIFPVBQESA-N 1 1 332.357 -0.084 20 5 EBBDMO CNc1nccc(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000594214995 421220944 /nfs/dbraw/zinc/22/09/44/421220944.db2.gz KPKUIXBRBKYVDP-UHFFFAOYSA-N 1 1 336.396 0.399 20 5 EBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(CCO)CC1 ZINC000438718147 265259060 /nfs/dbraw/zinc/25/90/60/265259060.db2.gz WOLTUCLAMSTNJE-AWEZNQCLSA-N 1 1 327.385 -0.459 20 5 EBBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431645 584212333 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/nfs/dbraw/zinc/08/62/44/730086244.db2.gz MQVFYDKYDYPNOH-QMIVOQANSA-N 1 1 344.371 -0.003 20 5 EBBDMO NC(=O)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775590 730086309 /nfs/dbraw/zinc/08/63/09/730086309.db2.gz GQQMKCKKLZCWLD-QMIVOQANSA-N 1 1 344.371 -0.003 20 5 EBBDMO NC(=O)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775590 730086311 /nfs/dbraw/zinc/08/63/11/730086311.db2.gz GQQMKCKKLZCWLD-QMIVOQANSA-N 1 1 344.371 -0.003 20 5 EBBDMO NC(=O)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775590 730086313 /nfs/dbraw/zinc/08/63/13/730086313.db2.gz GQQMKCKKLZCWLD-QMIVOQANSA-N 1 1 344.371 -0.003 20 5 EBBDMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)n1 ZINC001025952562 730112758 /nfs/dbraw/zinc/11/27/58/730112758.db2.gz YWMBHEFTSYJKGJ-ITGUQSILSA-N 1 1 343.347 -0.022 20 5 EBBDMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)n1 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20 5 EBBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318458943 822320941 /nfs/dbraw/zinc/32/09/41/822320941.db2.gz BSIPGVCZCROVKA-LBPRGKRZSA-N 1 1 339.400 -0.424 20 5 EBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCc1ccsc1 ZINC001126938693 828233793 /nfs/dbraw/zinc/23/37/93/828233793.db2.gz HBRLTFUODLCTJQ-VXGBXAGGSA-N 1 1 340.405 -0.222 20 5 EBBDMO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936851 828234240 /nfs/dbraw/zinc/23/42/40/828234240.db2.gz UTSOPEKQKXJDDR-CHWSQXEVSA-N 1 1 341.389 -0.039 20 5 EBBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001151816519 831115677 /nfs/dbraw/zinc/11/56/77/831115677.db2.gz CHAANSWAXRGFPZ-AWEZNQCLSA-N 1 1 325.321 -0.316 20 5 EBBDMO CNC(=O)CCCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001153053772 831205132 /nfs/dbraw/zinc/20/51/32/831205132.db2.gz ZXIGBNLBAYFREL-UHFFFAOYSA-N 1 1 340.384 -0.160 20 5 EBBDMO O=[N+]([O-])c1cnc(NCc2nnc3n2CCCNC3)nc1C1C[NH2+]C1 ZINC001155430098 831405113 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COCCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001343164939 843203196 /nfs/dbraw/zinc/20/31/96/843203196.db2.gz CNFJBAOQXHPFEG-LLVKDONJSA-N 1 1 326.357 -0.778 20 5 EBBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001343164939 843203203 /nfs/dbraw/zinc/20/32/03/843203203.db2.gz CNFJBAOQXHPFEG-LLVKDONJSA-N 1 1 326.357 -0.778 20 5 EBBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001343184533 843205324 /nfs/dbraw/zinc/20/53/24/843205324.db2.gz RCUKKNBDUIUZTR-NWDGAFQWSA-N 1 1 340.384 -0.217 20 5 EBBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001343184533 843205334 /nfs/dbraw/zinc/20/53/34/843205334.db2.gz RCUKKNBDUIUZTR-NWDGAFQWSA-N 1 1 340.384 -0.217 20 5 EBBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001347787706 843644231 /nfs/dbraw/zinc/64/42/31/843644231.db2.gz QSFDSBFNMHWMMQ-NSHDSACASA-N 1 1 338.368 -0.102 20 5 EBBDMO CN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691315046 1125849798 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RKLYMQHLKPKIHA-CQSZACIVSA-N 1 1 325.365 -0.056 20 5 EBBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863569 376397400 /nfs/dbraw/zinc/39/74/00/376397400.db2.gz QJCCAMLTIPMTQT-AAEUAGOBSA-N 1 1 336.348 -0.576 20 5 EBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853173 377915327 /nfs/dbraw/zinc/91/53/27/377915327.db2.gz DJGIXFPPDFXWHP-CQSZACIVSA-N 1 1 348.359 -0.398 20 5 EBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853173 377915334 /nfs/dbraw/zinc/91/53/34/377915334.db2.gz DJGIXFPPDFXWHP-CQSZACIVSA-N 1 1 348.359 -0.398 20 5 EBBDMO CCCc1[nH]nc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878998 377965187 /nfs/dbraw/zinc/96/51/87/377965187.db2.gz QSMGQWVTEGRUQV-IUCAKERBSA-N 1 1 336.352 -0.346 20 5 EBBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419500117 379340808 /nfs/dbraw/zinc/34/08/08/379340808.db2.gz WTQJZRXNEUMSBJ-VXGBXAGGSA-N 1 1 340.384 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335.155 -0.812 20 5 EBBDMO [NH3+][C@@H]1NCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2NCN[C@@H]21 ZINC001162436308 832039319 /nfs/dbraw/zinc/03/93/19/832039319.db2.gz JXHFOYPHRVUSMG-QNSHHTMESA-N 1 1 349.729 -0.315 20 5 EBBDMO Cc1nn(C)c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC001351632676 832262506 /nfs/dbraw/zinc/26/25/06/832262506.db2.gz YYHXVRFCICYBKQ-JTQLQIEISA-N 1 1 338.368 -0.294 20 5 EBBDMO COc1cc2ncnc(N3CC[NH2+][C@@H](C(N)=O)C3)c2cc1[N+](=O)[O-] ZINC001166724523 832284814 /nfs/dbraw/zinc/28/48/14/832284814.db2.gz DBLRPSSORIHGBH-SNVBAGLBSA-N 1 1 332.320 -0.190 20 5 EBBDMO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2cnc(C[NH3+])n2)n1 ZINC001168750678 832434698 /nfs/dbraw/zinc/43/46/98/832434698.db2.gz YDEGEMPTMTXWHZ-UHFFFAOYSA-N 1 1 333.717 -0.519 20 5 EBBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001171308990 832555795 /nfs/dbraw/zinc/55/57/95/832555795.db2.gz VSLSFRDFDWBXKE-NSHDSACASA-N 1 1 339.352 -0.147 20 5 EBBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001171308990 832555801 /nfs/dbraw/zinc/55/58/01/832555801.db2.gz VSLSFRDFDWBXKE-NSHDSACASA-N 1 1 339.352 -0.147 20 5 EBBDMO CC1CC[NH+](CC(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001355592129 832568063 /nfs/dbraw/zinc/56/80/63/832568063.db2.gz PNVSHFYVFKWIFJ-CHWSQXEVSA-N 1 1 326.397 -0.042 20 5 EBBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001171655127 832569721 /nfs/dbraw/zinc/56/97/21/832569721.db2.gz LESKQIZRDWUDSB-AWEZNQCLSA-N 1 1 325.321 -0.559 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001176628981 832683026 /nfs/dbraw/zinc/68/30/26/832683026.db2.gz COVNQFXIUDQZFJ-UMNHJUIQSA-N 1 1 330.366 -0.871 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001176628981 832683031 /nfs/dbraw/zinc/68/30/31/832683031.db2.gz COVNQFXIUDQZFJ-UMNHJUIQSA-N 1 1 330.366 -0.871 20 5 EBBDMO O=C(NCCCCCC[NH2+]CCN1CCNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463223 832867737 /nfs/dbraw/zinc/86/77/37/832867737.db2.gz ANVOITGXCXFDPZ-CHWSQXEVSA-N 1 1 341.412 -0.057 20 5 EBBDMO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1CCO ZINC001195279072 835209551 /nfs/dbraw/zinc/20/95/51/835209551.db2.gz MMKIFHGIBYCDOU-DYEKYZERSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001195279072 835209553 /nfs/dbraw/zinc/20/95/53/835209553.db2.gz MMKIFHGIBYCDOU-DYEKYZERSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001195279072 835209562 /nfs/dbraw/zinc/20/95/62/835209562.db2.gz MMKIFHGIBYCDOU-DYEKYZERSA-N 1 1 327.385 -0.461 20 5 EBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCOCCO)C2)CC1 ZINC001319141237 838078107 /nfs/dbraw/zinc/07/81/07/838078107.db2.gz CKGVSZVETNTTPF-ZIAGYGMSSA-N 1 1 341.408 -0.025 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCOCCO)C2)CC1 ZINC001319141237 838078120 /nfs/dbraw/zinc/07/81/20/838078120.db2.gz CKGVSZVETNTTPF-ZIAGYGMSSA-N 1 1 341.408 -0.025 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CCOCCO)C2)CC1 ZINC001319141237 838078127 /nfs/dbraw/zinc/07/81/27/838078127.db2.gz CKGVSZVETNTTPF-ZIAGYGMSSA-N 1 1 341.408 -0.025 20 5 EBBDMO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001319591012 838154580 /nfs/dbraw/zinc/15/45/80/838154580.db2.gz BQTIKQAKPUSBKK-GFCCVEGCSA-N 1 1 338.364 -0.159 20 5 EBBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001320477273 838777961 /nfs/dbraw/zinc/77/79/61/838777961.db2.gz OZZAILLGAZBVMS-NSHDSACASA-N 1 1 325.373 -0.672 20 5 EBBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001340016100 842963995 /nfs/dbraw/zinc/96/39/95/842963995.db2.gz KKIZIUBGFTVCML-NSHDSACASA-N 1 1 338.368 -0.546 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)Cn1ccnc1 ZINC001483100769 1126332905 /nfs/dbraw/zinc/33/29/05/1126332905.db2.gz NUDHYGASNZLCSN-IHWYPQMZSA-N 1 1 333.352 -0.013 20 5 EBBDMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1nccs1 ZINC001491017366 1130290291 /nfs/dbraw/zinc/29/02/91/1130290291.db2.gz JIKPRIULXZLNGI-UTINFBMNSA-N 1 1 339.377 -0.016 20 5 EBBDMO O=c1[n-]nc([C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000283915210 376247822 /nfs/dbraw/zinc/24/78/22/376247822.db2.gz GECSOSXSIUUNNH-MWLCHTKSSA-N 1 1 338.324 -0.292 20 5 EBBDMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610604110 376301212 /nfs/dbraw/zinc/30/12/12/376301212.db2.gz ATJPNIVUBPHCIB-GFCCVEGCSA-N 1 1 347.397 -0.881 20 5 EBBDMO CN1CCN(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591739399 377753508 /nfs/dbraw/zinc/75/35/08/377753508.db2.gz OFPHQGZMCAWITG-AWEZNQCLSA-N 1 1 340.428 -0.232 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594603138 377945107 /nfs/dbraw/zinc/94/51/07/377945107.db2.gz LDOLHMXASQVATO-NWDGAFQWSA-N 1 1 342.377 -0.503 20 5 EBBDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000596207083 378055763 /nfs/dbraw/zinc/05/57/63/378055763.db2.gz AKTFIBQAYWZMKJ-SNVBAGLBSA-N 1 1 344.393 -0.255 20 5 EBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599767478 378273675 /nfs/dbraw/zinc/27/36/75/378273675.db2.gz XBCURCKHQDXBHZ-NSHDSACASA-N 1 1 336.352 -0.127 20 5 EBBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562936 378258257 /nfs/dbraw/zinc/25/82/57/378258257.db2.gz KJXVNPQOSPOLMX-WCQYABFASA-N 1 1 328.325 -0.584 20 5 EBBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341681050 378324077 /nfs/dbraw/zinc/32/40/77/378324077.db2.gz ATKHDUZDCMTECI-NSHDSACASA-N 1 1 330.366 -0.491 20 5 EBBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341681050 378324084 /nfs/dbraw/zinc/32/40/84/378324084.db2.gz ATKHDUZDCMTECI-NSHDSACASA-N 1 1 330.366 -0.491 20 5 EBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)CCN1CCOCC1 ZINC000602781484 378371119 /nfs/dbraw/zinc/37/11/19/378371119.db2.gz ZHWLBILGYDOFJI-UHFFFAOYSA-N 1 1 327.385 -0.274 20 5 EBBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000319128336 378523755 /nfs/dbraw/zinc/52/37/55/378523755.db2.gz FJVVLWDRMYJZQV-VIFPVBQESA-N 1 1 331.350 -0.130 20 5 EBBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274971740 379208323 /nfs/dbraw/zinc/20/83/23/379208323.db2.gz KOANLFOMTSKCFN-UHFFFAOYSA-N 1 1 337.336 -0.364 20 5 EBBDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249525199 379371222 /nfs/dbraw/zinc/37/12/22/379371222.db2.gz XUUCDMMQUSHKIW-DYEKYZERSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@H](O)CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249525199 379371231 /nfs/dbraw/zinc/37/12/31/379371231.db2.gz XUUCDMMQUSHKIW-DYEKYZERSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@H](O)CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249525199 379371241 /nfs/dbraw/zinc/37/12/41/379371241.db2.gz XUUCDMMQUSHKIW-DYEKYZERSA-N 1 1 327.385 -0.461 20 5 EBBDMO NC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480393 379478485 /nfs/dbraw/zinc/47/84/85/379478485.db2.gz SADCLKSHZNTNGZ-FZMZJTMJSA-N 1 1 325.321 -0.743 20 5 EBBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887982 379685075 /nfs/dbraw/zinc/68/50/75/379685075.db2.gz MCXHEJPFOFQDST-VNHYZAJKSA-N 1 1 339.396 -0.053 20 5 EBBDMO CCCc1[nH]nc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000353047006 379687518 /nfs/dbraw/zinc/68/75/18/379687518.db2.gz LORVRNVRTSIZEG-UHFFFAOYSA-N 1 1 338.368 -0.226 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3ccon3)CC2)c1 ZINC000075857688 379738234 /nfs/dbraw/zinc/73/82/34/379738234.db2.gz LWOYCDXMIANBPT-AWEZNQCLSA-N 1 1 336.352 -0.042 20 5 EBBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549730 379837361 /nfs/dbraw/zinc/83/73/61/379837361.db2.gz XKWPYGOYARUHAC-SNVBAGLBSA-N 1 1 330.366 -0.620 20 5 EBBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549730 379837368 /nfs/dbraw/zinc/83/73/68/379837368.db2.gz XKWPYGOYARUHAC-SNVBAGLBSA-N 1 1 330.366 -0.620 20 5 EBBDMO Cc1nn(CCC(=O)NCC[N@H+]2CC[C@@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000600532444 379947328 /nfs/dbraw/zinc/94/73/28/379947328.db2.gz IGFZXCCSIWKQCY-GFCCVEGCSA-N 1 1 325.369 -0.019 20 5 EBBDMO COCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000269069900 380214196 /nfs/dbraw/zinc/21/41/96/380214196.db2.gz ZBVZIOBDUPHWJX-LLVKDONJSA-N 1 1 326.357 -0.189 20 5 EBBDMO C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000151659154 381540949 /nfs/dbraw/zinc/54/09/49/381540949.db2.gz IDSBJGBGDSHNDU-ZYHUDNBSSA-N 1 1 326.357 -0.190 20 5 EBBDMO C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000151659154 381540956 /nfs/dbraw/zinc/54/09/56/381540956.db2.gz IDSBJGBGDSHNDU-ZYHUDNBSSA-N 1 1 326.357 -0.190 20 5 EBBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743098 381851813 /nfs/dbraw/zinc/85/18/13/381851813.db2.gz PPLYHNJOCLVLAC-FOGDFJRCSA-N 1 1 334.398 -0.094 20 5 EBBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743098 381851821 /nfs/dbraw/zinc/85/18/21/381851821.db2.gz PPLYHNJOCLVLAC-FOGDFJRCSA-N 1 1 334.398 -0.094 20 5 EBBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000106396214 154088914 /nfs/dbraw/zinc/08/89/14/154088914.db2.gz ZBYSNICBLVGFJW-CYBMUJFWSA-N 1 1 338.364 -0.328 20 5 EBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000253203440 154194240 /nfs/dbraw/zinc/19/42/40/154194240.db2.gz HDMFBGIFWUJJRZ-RYUDHWBXSA-N 1 1 338.364 -0.330 20 5 EBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264620847 154285438 /nfs/dbraw/zinc/28/54/38/154285438.db2.gz RMPUCYYQXWQTHH-NSHDSACASA-N 1 1 336.352 -0.160 20 5 EBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264736197 154291477 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COCC[N@@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319475770 838136016 /nfs/dbraw/zinc/13/60/16/838136016.db2.gz YYIHKRAYPKHMFN-UHFFFAOYSA-N 1 1 338.364 -0.063 20 5 EBBDMO COCC[N@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319475770 838136021 /nfs/dbraw/zinc/13/60/21/838136021.db2.gz YYIHKRAYPKHMFN-UHFFFAOYSA-N 1 1 338.364 -0.063 20 5 EBBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001320477272 838778318 /nfs/dbraw/zinc/77/83/18/838778318.db2.gz OZZAILLGAZBVMS-LLVKDONJSA-N 1 1 325.373 -0.672 20 5 EBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001324659257 839696739 /nfs/dbraw/zinc/69/67/39/839696739.db2.gz YTUJGUJSFPBOEP-UHFFFAOYSA-N 1 1 338.368 -0.389 20 5 EBBDMO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326851640 840219457 /nfs/dbraw/zinc/21/94/57/840219457.db2.gz FRZQGTJXOBQBCZ-UONOGXRCSA-N 1 1 348.359 -0.512 20 5 EBBDMO COCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001691933670 1125876931 /nfs/dbraw/zinc/87/69/31/1125876931.db2.gz NWUIGBFUGKYDRN-ZIAGYGMSSA-N 1 1 328.413 -0.236 20 5 EBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000264469383 283322949 /nfs/dbraw/zinc/32/29/49/283322949.db2.gz KUCAMICQJDGWHC-NSHDSACASA-N 1 1 337.336 -0.235 20 5 EBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268806 376731203 /nfs/dbraw/zinc/73/12/03/376731203.db2.gz LHDJLUSFPFJFNP-SNVBAGLBSA-N 1 1 335.368 -0.290 20 5 EBBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195983 377801541 /nfs/dbraw/zinc/80/15/41/377801541.db2.gz IVOAOFFGNFJJNG-JLLWLGSASA-N 1 1 328.325 -0.992 20 5 EBBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594795797 377954148 /nfs/dbraw/zinc/95/41/48/377954148.db2.gz QXNFXWMZHUJTOC-VHSXEESVSA-N 1 1 328.350 -0.571 20 5 EBBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594795797 377954153 /nfs/dbraw/zinc/95/41/53/377954153.db2.gz QXNFXWMZHUJTOC-VHSXEESVSA-N 1 1 328.350 -0.571 20 5 EBBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599235476 378211281 /nfs/dbraw/zinc/21/12/81/378211281.db2.gz NZYNOSYHSXVWNP-UHFFFAOYSA-N 1 1 348.429 -0.558 20 5 EBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619873712 379381452 /nfs/dbraw/zinc/38/14/52/379381452.db2.gz RAUYFDIBXLBMKA-CYBMUJFWSA-N 1 1 336.396 -0.004 20 5 EBBDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249525203 379369639 /nfs/dbraw/zinc/36/96/39/379369639.db2.gz XUUCDMMQUSHKIW-OBJOEFQTSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@H](O)CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249525203 379369651 /nfs/dbraw/zinc/36/96/51/379369651.db2.gz XUUCDMMQUSHKIW-OBJOEFQTSA-N 1 1 327.385 -0.461 20 5 EBBDMO C[C@H](O)CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249525203 379369661 /nfs/dbraw/zinc/36/96/61/379369661.db2.gz XUUCDMMQUSHKIW-OBJOEFQTSA-N 1 1 327.385 -0.461 20 5 EBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372037835 379413003 /nfs/dbraw/zinc/41/30/03/379413003.db2.gz QUGZYBSLRAAPCL-AAEUAGOBSA-N 1 1 338.368 -0.046 20 5 EBBDMO NC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480392 379477494 /nfs/dbraw/zinc/47/74/94/379477494.db2.gz SADCLKSHZNTNGZ-BXUZGUMPSA-N 1 1 325.321 -0.743 20 5 EBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351252405 379597260 /nfs/dbraw/zinc/59/72/60/379597260.db2.gz KCTLTAPTHXIDEH-NSHDSACASA-N 1 1 336.352 -0.358 20 5 EBBDMO Cc1nn(CCC(=O)NCC[N@H+]2CC[C@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000600807510 379659981 /nfs/dbraw/zinc/65/99/81/379659981.db2.gz IGFZXCCSIWKQCY-LBPRGKRZSA-N 1 1 325.369 -0.019 20 5 EBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548937169 379750104 /nfs/dbraw/zinc/75/01/04/379750104.db2.gz GZUOPXUFDWJJCY-LLVKDONJSA-N 1 1 336.352 -0.304 20 5 EBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 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BBCVDCNLBUXOAV-CYBMUJFWSA-N 1 1 349.391 -0.019 20 5 EBBDMO CC(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000342921655 156071692 /nfs/dbraw/zinc/07/16/92/156071692.db2.gz RDYIHDTZCFKZMK-NSHDSACASA-N 1 1 326.357 -0.341 20 5 EBBDMO NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343415912 156134441 /nfs/dbraw/zinc/13/44/41/156134441.db2.gz JDSJNOHOONZUFS-GHMZBOCLSA-N 1 1 345.377 -0.303 20 5 EBBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343415912 156134444 /nfs/dbraw/zinc/13/44/44/156134444.db2.gz JDSJNOHOONZUFS-GHMZBOCLSA-N 1 1 345.377 -0.303 20 5 EBBDMO Cc1nn(CCC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000358056122 157205425 /nfs/dbraw/zinc/20/54/25/157205425.db2.gz ZQSWDSFDYDZDIV-AWEZNQCLSA-N 1 1 325.369 -0.019 20 5 EBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000358419144 157242580 /nfs/dbraw/zinc/24/25/80/157242580.db2.gz IFRMRVICMLRRMG-OAHLLOKOSA-N 1 1 336.348 -0.493 20 5 EBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000360748058 157395072 /nfs/dbraw/zinc/39/50/72/157395072.db2.gz UVVKMQNWJZTWIE-ZDUSSCGKSA-N 1 1 327.341 -0.859 20 5 EBBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610368481 419011306 /nfs/dbraw/zinc/01/13/06/419011306.db2.gz BTROAUXBJZBZKJ-JQWIXIFHSA-N 1 1 347.397 -0.834 20 5 EBBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610368481 419011309 /nfs/dbraw/zinc/01/13/09/419011309.db2.gz BTROAUXBJZBZKJ-JQWIXIFHSA-N 1 1 347.397 -0.834 20 5 EBBDMO C[C@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000275048895 420810424 /nfs/dbraw/zinc/81/04/24/420810424.db2.gz SHQSBOPPKRDPJM-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000583943631 421220562 /nfs/dbraw/zinc/22/05/62/421220562.db2.gz PKVYHYHEZAPHAE-WDEREUQCSA-N 1 1 337.380 0.559 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000583943631 421220563 /nfs/dbraw/zinc/22/05/63/421220563.db2.gz PKVYHYHEZAPHAE-WDEREUQCSA-N 1 1 337.380 0.559 20 5 EBBDMO CNc1nccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599938708 421220784 /nfs/dbraw/zinc/22/07/84/421220784.db2.gz FDFGTZYZVDDVFH-WDEREUQCSA-N 1 1 335.364 0.313 20 5 EBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000600529779 546004919 /nfs/dbraw/zinc/00/49/19/546004919.db2.gz ZPIADIMWBLBQKM-GFCCVEGCSA-N 1 1 346.347 -0.028 20 5 EBBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431644 584212454 /nfs/dbraw/zinc/21/24/54/584212454.db2.gz FEDPAVSWCFOEKH-JQWIXIFHSA-N 1 1 325.325 -0.321 20 5 EBBDMO O=C(NC1CC[NH+](CCN2CCNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787338 726647992 /nfs/dbraw/zinc/64/79/92/726647992.db2.gz JABKVRNQULMSSA-VXGBXAGGSA-N 1 1 325.369 -0.743 20 5 EBBDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001055331542 736333423 /nfs/dbraw/zinc/33/34/23/736333423.db2.gz MNXYJANNPVSWKS-XJFOESAGSA-N 1 1 338.408 -0.091 20 5 EBBDMO CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001055331542 736333429 /nfs/dbraw/zinc/33/34/29/736333429.db2.gz MNXYJANNPVSWKS-XJFOESAGSA-N 1 1 338.408 -0.091 20 5 EBBDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001055331542 736333432 /nfs/dbraw/zinc/33/34/32/736333432.db2.gz MNXYJANNPVSWKS-XJFOESAGSA-N 1 1 338.408 -0.091 20 5 EBBDMO COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055477542 736350136 /nfs/dbraw/zinc/35/01/36/736350136.db2.gz NSUFHUKMYWLJOH-CHWSQXEVSA-N 1 1 342.396 -0.615 20 5 EBBDMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057544531 737323615 /nfs/dbraw/zinc/32/36/15/737323615.db2.gz GLKGQCRLDGIEHY-CHWSQXEVSA-N 1 1 344.412 -0.679 20 5 EBBDMO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544531 737323621 /nfs/dbraw/zinc/32/36/21/737323621.db2.gz 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CC[NH+]1CCN(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599286498 378223750 /nfs/dbraw/zinc/22/37/50/378223750.db2.gz FAIKJLMGCFRDMF-UHFFFAOYSA-N 1 1 346.413 -0.756 20 5 EBBDMO C[N@H+]1CC[C@](O)(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598616373 378173616 /nfs/dbraw/zinc/17/36/16/378173616.db2.gz VNWXWTNQKHXHOP-AWEZNQCLSA-N 1 1 338.368 -0.300 20 5 EBBDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562934 378258833 /nfs/dbraw/zinc/25/88/33/378258833.db2.gz KJXVNPQOSPOLMX-AAEUAGOBSA-N 1 1 328.325 -0.584 20 5 EBBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000319128335 378523610 /nfs/dbraw/zinc/52/36/10/378523610.db2.gz FJVVLWDRMYJZQV-SECBINFHSA-N 1 1 331.350 -0.130 20 5 EBBDMO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000249318045 379168084 /nfs/dbraw/zinc/16/80/84/379168084.db2.gz FTEYSQITMKESGC-GXTWGEPZSA-N 1 1 341.412 -0.071 20 5 EBBDMO CCn1nc2c(cc1=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000078613191 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C[C@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC001346275996 843496201 /nfs/dbraw/zinc/49/62/01/843496201.db2.gz GFXBNJDVXYXGOU-WDEREUQCSA-N 1 1 338.368 -0.494 20 5 EBBDMO Cn1nncc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001484862284 1126646610 /nfs/dbraw/zinc/64/66/10/1126646610.db2.gz DTYILHPQHOIDKP-VXGBXAGGSA-N 1 1 338.368 -0.765 20 5 EBBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863577 376396722 /nfs/dbraw/zinc/39/67/22/376396722.db2.gz QJCCAMLTIPMTQT-YPMHNXCESA-N 1 1 336.348 -0.576 20 5 EBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000338961159 376633428 /nfs/dbraw/zinc/63/34/28/376633428.db2.gz JCRWFNRVCHGRCI-LLVKDONJSA-N 1 1 338.368 -0.505 20 5 EBBDMO COC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354703 376654639 /nfs/dbraw/zinc/65/46/39/376654639.db2.gz BYKMMISXTGGWPQ-YPMHNXCESA-N 1 1 327.337 -0.233 20 5 EBBDMO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354703 376654641 /nfs/dbraw/zinc/65/46/41/376654641.db2.gz BYKMMISXTGGWPQ-YPMHNXCESA-N 1 1 327.337 -0.233 20 5 EBBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCNC(=O)C1 ZINC000365520060 377369449 /nfs/dbraw/zinc/36/94/49/377369449.db2.gz XPWWMILLUUYNAE-UHFFFAOYSA-N 1 1 336.352 -0.613 20 5 EBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580294009 377449524 /nfs/dbraw/zinc/44/95/24/377449524.db2.gz HCVGPGNQBFGQPH-UHFFFAOYSA-N 1 1 346.290 -0.200 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000566425559 377530444 /nfs/dbraw/zinc/53/04/44/377530444.db2.gz FBXSHMAHKCPAHA-HIFRSBDPSA-N 1 1 339.396 -0.051 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000596192619 378054152 /nfs/dbraw/zinc/05/41/52/378054152.db2.gz FRFUFPSBTLMFNH-NSHDSACASA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000596192619 378054154 /nfs/dbraw/zinc/05/41/54/378054154.db2.gz FRFUFPSBTLMFNH-NSHDSACASA-N 1 1 342.377 -0.237 20 5 EBBDMO C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000596207082 378055689 /nfs/dbraw/zinc/05/56/89/378055689.db2.gz AKTFIBQAYWZMKJ-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256203 378214557 /nfs/dbraw/zinc/21/45/57/378214557.db2.gz WMGPNVJTROQTQD-SNVBAGLBSA-N 1 1 349.413 -0.037 20 5 EBBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249397114 379357877 /nfs/dbraw/zinc/35/78/77/379357877.db2.gz RVDSFHAQAPHKDX-TZMCWYRMSA-N 1 1 341.412 -0.071 20 5 EBBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000271362756 379754806 /nfs/dbraw/zinc/75/48/06/379754806.db2.gz PYUIBMMLVNYVIW-VXGBXAGGSA-N 1 1 347.397 -0.834 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3ccon3)CC2)c1 ZINC000075857689 379737719 /nfs/dbraw/zinc/73/77/19/379737719.db2.gz LWOYCDXMIANBPT-CQSZACIVSA-N 1 1 336.352 -0.042 20 5 EBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000354551235 379708203 /nfs/dbraw/zinc/70/82/03/379708203.db2.gz KLQQSCIJTHQCRH-VXGBXAGGSA-N 1 1 340.384 -0.112 20 5 EBBDMO C[C@H](CO)[N@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613254 380736124 /nfs/dbraw/zinc/73/61/24/380736124.db2.gz GYHFOIWEMHTXIS-OCCSQVGLSA-N 1 1 327.385 -0.459 20 5 EBBDMO C[C@H](CO)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613254 380736132 /nfs/dbraw/zinc/73/61/32/380736132.db2.gz GYHFOIWEMHTXIS-OCCSQVGLSA-N 1 1 327.385 -0.459 20 5 EBBDMO C[C@H](CO)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613254 380736138 /nfs/dbraw/zinc/73/61/38/380736138.db2.gz GYHFOIWEMHTXIS-OCCSQVGLSA-N 1 1 327.385 -0.459 20 5 EBBDMO CS(=O)(=O)c1cccc(N2CC[NH2+][C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000345178281 380912344 /nfs/dbraw/zinc/91/23/44/380912344.db2.gz YDEXHDDNNLTKDV-QMMMGPOBSA-N 1 1 328.350 -0.738 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000015209309 381114929 /nfs/dbraw/zinc/11/49/29/381114929.db2.gz MNZFNMDRHKSUPS-UHFFFAOYSA-N 1 1 330.366 -0.644 20 5 EBBDMO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000576821872 381921395 /nfs/dbraw/zinc/92/13/95/381921395.db2.gz CULANFLFYGWRRC-QMMMGPOBSA-N 1 1 336.274 -0.116 20 5 EBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000248625836 154189839 /nfs/dbraw/zinc/18/98/39/154189839.db2.gz OANPVKGFNINONS-RYUDHWBXSA-N 1 1 340.384 -0.112 20 5 EBBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000264591375 154285465 /nfs/dbraw/zinc/28/54/65/154285465.db2.gz GPCZLVCBCDSLHC-JTQLQIEISA-N 1 1 338.368 -0.050 20 5 EBBDMO CC(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000342921654 156071998 /nfs/dbraw/zinc/07/19/98/156071998.db2.gz RDYIHDTZCFKZMK-LLVKDONJSA-N 1 1 326.357 -0.341 20 5 EBBDMO C[C@@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+]1CCOCC1 ZINC000345042963 156298214 /nfs/dbraw/zinc/29/82/14/156298214.db2.gz DJVOLYPQSBZPQE-OAHLLOKOSA-N 1 1 338.364 -0.010 20 5 EBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356480003 157069461 /nfs/dbraw/zinc/06/94/61/157069461.db2.gz OEOVAWURMJEBGV-UHFFFAOYSA-N 1 1 338.368 -0.389 20 5 EBBDMO COc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358195840 157227365 /nfs/dbraw/zinc/22/73/65/157227365.db2.gz KGAJWLDYPZCMSZ-ZDUSSCGKSA-N 1 1 345.377 -0.052 20 5 EBBDMO COC[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979452 420915951 /nfs/dbraw/zinc/91/59/51/420915951.db2.gz YWTRZFLFBZYMNR-LBPRGKRZSA-N 1 1 347.393 -0.188 20 5 EBBDMO C[N@@H+](CCCO)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173754932 420952870 /nfs/dbraw/zinc/95/28/70/420952870.db2.gz HBPDXISASNJSER-HNNXBMFYSA-N 1 1 341.412 -0.069 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000371802848 420924058 /nfs/dbraw/zinc/92/40/58/420924058.db2.gz NFRZWGLKYCLJBG-JTQLQIEISA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000371802848 420924062 /nfs/dbraw/zinc/92/40/62/420924062.db2.gz NFRZWGLKYCLJBG-JTQLQIEISA-N 1 1 342.377 -0.237 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000594345664 421220545 /nfs/dbraw/zinc/22/05/45/421220545.db2.gz FHSLQYAKPNYJRJ-UHFFFAOYSA-N 1 1 337.380 0.560 20 5 EBBDMO CNc1nccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000594345664 421220546 /nfs/dbraw/zinc/22/05/46/421220546.db2.gz FHSLQYAKPNYJRJ-UHFFFAOYSA-N 1 1 337.380 0.560 20 5 EBBDMO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441193387 265301737 /nfs/dbraw/zinc/30/17/37/265301737.db2.gz XLVZJXGJYGTNSI-LBPRGKRZSA-N 1 1 347.397 -0.881 20 5 EBBDMO CS(=O)(=O)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441193387 265301743 /nfs/dbraw/zinc/30/17/43/265301743.db2.gz XLVZJXGJYGTNSI-LBPRGKRZSA-N 1 1 347.397 -0.881 20 5 EBBDMO COc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000319352936 545822360 /nfs/dbraw/zinc/82/23/60/545822360.db2.gz UFTHPZGKCPSYPL-SECBINFHSA-N 1 1 331.350 -0.130 20 5 EBBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC(=O)N2CC[NH+](C)CC2)n1 ZINC000804430798 583644632 /nfs/dbraw/zinc/64/46/32/583644632.db2.gz WIJOIPASILQEHJ-UHFFFAOYSA-N 1 1 337.336 -0.038 20 5 EBBDMO C[NH+](C)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000840383868 583757474 /nfs/dbraw/zinc/75/74/74/583757474.db2.gz ACIMUHJUWWGQDK-QJPTWQEYSA-N 1 1 333.410 -0.381 20 5 EBBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431646 584212472 /nfs/dbraw/zinc/21/24/72/584212472.db2.gz FEDPAVSWCFOEKH-ZYHUDNBSSA-N 1 1 325.325 -0.321 20 5 EBBDMO O=C(C[NH+]1CCCC1)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961551198 723036804 /nfs/dbraw/zinc/03/68/04/723036804.db2.gz OQHBPTYVMCGZEZ-XJFOESAGSA-N 1 1 336.392 -0.336 20 5 EBBDMO O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000968998818 725140467 /nfs/dbraw/zinc/14/04/67/725140467.db2.gz KAEHSXFXLOOPAI-XJFOESAGSA-N 1 1 336.392 -0.051 20 5 EBBDMO C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC000976479463 726323472 /nfs/dbraw/zinc/32/34/72/726323472.db2.gz YGUAPTURJJWMBV-VVSAWPALSA-N 1 1 336.392 -0.291 20 5 EBBDMO C[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000976479463 726323474 /nfs/dbraw/zinc/32/34/74/726323474.db2.gz YGUAPTURJJWMBV-VVSAWPALSA-N 1 1 336.392 -0.291 20 5 EBBDMO C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000976479463 726323476 /nfs/dbraw/zinc/32/34/76/726323476.db2.gz YGUAPTURJJWMBV-VVSAWPALSA-N 1 1 336.392 -0.291 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990039 730533038 /nfs/dbraw/zinc/53/30/38/730533038.db2.gz LXZAJSNWDKPSEK-UHFFFAOYSA-N 1 1 338.368 -0.516 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990039 730533040 /nfs/dbraw/zinc/53/30/40/730533040.db2.gz LXZAJSNWDKPSEK-UHFFFAOYSA-N 1 1 338.368 -0.516 20 5 EBBDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058252378 737734891 /nfs/dbraw/zinc/73/48/91/737734891.db2.gz HEKNGRJGXWYYSK-CHWSQXEVSA-N 1 1 344.412 -0.679 20 5 EBBDMO CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058252378 737734894 /nfs/dbraw/zinc/73/48/94/737734894.db2.gz HEKNGRJGXWYYSK-CHWSQXEVSA-N 1 1 344.412 -0.679 20 5 EBBDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058252378 737734897 /nfs/dbraw/zinc/73/48/97/737734897.db2.gz HEKNGRJGXWYYSK-CHWSQXEVSA-N 1 1 344.412 -0.679 20 5 EBBDMO CN(C)C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278861 806448066 /nfs/dbraw/zinc/44/80/66/806448066.db2.gz UEFASABOXYEOBV-BHTHQVBYSA-N 1 1 338.408 -0.090 20 5 EBBDMO CN(C)C(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278861 806448072 /nfs/dbraw/zinc/44/80/72/806448072.db2.gz UEFASABOXYEOBV-BHTHQVBYSA-N 1 1 338.408 -0.090 20 5 EBBDMO CN(C)C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278861 806448075 /nfs/dbraw/zinc/44/80/75/806448075.db2.gz UEFASABOXYEOBV-BHTHQVBYSA-N 1 1 338.408 -0.090 20 5 EBBDMO CC[N@@H+](CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC001261164720 812870254 /nfs/dbraw/zinc/87/02/54/812870254.db2.gz AYQHOTKJUPLUCF-UHFFFAOYSA-N 1 1 340.384 -0.246 20 5 EBBDMO COCCOCC[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001262863289 813103757 /nfs/dbraw/zinc/10/37/57/813103757.db2.gz AQIFBTMAGZPAIU-LBPRGKRZSA-N 1 1 342.400 -0.062 20 5 EBBDMO CS(=O)(=O)CC1(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001266591404 813616480 /nfs/dbraw/zinc/61/64/80/813616480.db2.gz JZDBKDFMDJOEAW-DDHJBXDOSA-N 1 1 345.421 -0.287 20 5 EBBDMO O=C(NCC1([NH2+]CC2CCS(=O)(=O)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269411448 814680206 /nfs/dbraw/zinc/68/02/06/814680206.db2.gz HUNBZSGRVOJXCZ-VXGBXAGGSA-N 1 1 345.421 -0.285 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCCF)nn2)C1 ZINC001105235731 821636810 /nfs/dbraw/zinc/63/68/10/821636810.db2.gz QLZYOUAQYPSZNT-VXGBXAGGSA-N 1 1 326.332 -0.224 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130248837 828766482 /nfs/dbraw/zinc/76/64/82/828766482.db2.gz VVQJXZOJQWSUNA-UHFFFAOYSA-N 1 1 349.351 -0.425 20 5 EBBDMO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001117739924 826805849 /nfs/dbraw/zinc/80/58/49/826805849.db2.gz UJWGEVUYGPPOJQ-AAEUAGOBSA-N 1 1 346.409 -0.091 20 5 EBBDMO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001117739924 826805854 /nfs/dbraw/zinc/80/58/54/826805854.db2.gz UJWGEVUYGPPOJQ-AAEUAGOBSA-N 1 1 346.409 -0.091 20 5 EBBDMO C[NH+]1CCN(CC2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001117762458 826807614 /nfs/dbraw/zinc/80/76/14/826807614.db2.gz QOERIFGLERLVCO-UHFFFAOYSA-N 1 1 336.396 -0.113 20 5 EBBDMO Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126938895 828234523 /nfs/dbraw/zinc/23/45/23/828234523.db2.gz LZJHWOQAPMDFGE-CHWSQXEVSA-N 1 1 338.364 -0.083 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnn2cccnc12 ZINC001132205573 829378967 /nfs/dbraw/zinc/37/89/67/829378967.db2.gz KMLHMYXDGTXWSS-UHFFFAOYSA-N 1 1 344.335 -0.109 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146788870 830228354 /nfs/dbraw/zinc/22/83/54/830228354.db2.gz SJPHZIYAPABNDV-UHFFFAOYSA-N 1 1 336.356 -0.394 20 5 EBBDMO COCCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507089 830354570 /nfs/dbraw/zinc/35/45/70/830354570.db2.gz LSDYIYRNJHSHGM-CHWSQXEVSA-N 1 1 327.381 -0.151 20 5 EBBDMO COCCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507089 830354577 /nfs/dbraw/zinc/35/45/77/830354577.db2.gz LSDYIYRNJHSHGM-CHWSQXEVSA-N 1 1 327.381 -0.151 20 5 EBBDMO COCCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507089 830354581 /nfs/dbraw/zinc/35/45/81/830354581.db2.gz LSDYIYRNJHSHGM-CHWSQXEVSA-N 1 1 327.381 -0.151 20 5 EBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1cccnc1 ZINC001157761135 831590185 /nfs/dbraw/zinc/59/01/85/831590185.db2.gz NYQORCHSZWJUSO-CHWSQXEVSA-N 1 1 335.364 -0.541 20 5 EBBDMO [NH3+][C@@H]1NCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]2NCN[C@H]21 ZINC001162436397 832038749 /nfs/dbraw/zinc/03/87/49/832038749.db2.gz LCUVHXOYMDVOCC-FXBDTBDDSA-N 1 1 349.729 -0.315 20 5 EBBDMO COc1ccc(C[C@H](C)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c([N+](=O)[O-])c1 ZINC001170326430 832498305 /nfs/dbraw/zinc/49/83/05/832498305.db2.gz JQHFIFWQMHMSRG-BCZWGYKPSA-N 1 1 336.396 -0.473 20 5 EBBDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001171308989 832555268 /nfs/dbraw/zinc/55/52/68/832555268.db2.gz VSLSFRDFDWBXKE-LLVKDONJSA-N 1 1 339.352 -0.147 20 5 EBBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001171308989 832555272 /nfs/dbraw/zinc/55/52/72/832555272.db2.gz VSLSFRDFDWBXKE-LLVKDONJSA-N 1 1 339.352 -0.147 20 5 EBBDMO CS(=O)(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230386 836555603 /nfs/dbraw/zinc/55/56/03/836555603.db2.gz PNARLJCJGOLFJU-VXGBXAGGSA-N 1 1 348.425 -0.971 20 5 EBBDMO Cc1nn(C)cc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001326024648 840006121 /nfs/dbraw/zinc/00/61/21/840006121.db2.gz WTPCASMNMIQRMM-CHWSQXEVSA-N 1 1 325.369 -0.696 20 5 EBBDMO O=C1NC(=O)[C@]2(CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)N1 ZINC001326721890 840185371 /nfs/dbraw/zinc/18/53/71/840185371.db2.gz XFZVZEJNUGDGPG-CQSZACIVSA-N 1 1 335.320 -0.570 20 5 EBBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001345647981 843414664 /nfs/dbraw/zinc/41/46/64/843414664.db2.gz SZBQIBFGNLVIMT-GFCCVEGCSA-N 1 1 340.384 -0.388 20 5 EBBDMO CN(CC(=O)NCC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001349617347 843921479 /nfs/dbraw/zinc/92/14/79/843921479.db2.gz BMMGIFIDZWJFAB-UHFFFAOYSA-N 1 1 349.391 -0.079 20 5 EBBDMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690967901 1125795491 /nfs/dbraw/zinc/79/54/91/1125795491.db2.gz JVSIMIULKQAVPO-UHFFFAOYSA-N 1 1 349.391 -0.425 20 5 EBBDMO C[NH+]1CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC001648837776 1125801876 /nfs/dbraw/zinc/80/18/76/1125801876.db2.gz YUOYUUXWJKWLJF-UHFFFAOYSA-N 1 1 348.407 -0.114 20 5 EBBDMO CCN1CCN([C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001356570776 1130880951 /nfs/dbraw/zinc/88/09/51/1130880951.db2.gz VJERCATYNJNREC-HIFRSBDPSA-N 1 1 340.428 -0.232 20 5 EBBDMO COC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354700 376654924 /nfs/dbraw/zinc/65/49/24/376654924.db2.gz BYKMMISXTGGWPQ-AAEUAGOBSA-N 1 1 327.337 -0.233 20 5 EBBDMO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339354700 376654929 /nfs/dbraw/zinc/65/49/29/376654929.db2.gz 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NC(=O)[C@@]1(O)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480396 379478786 /nfs/dbraw/zinc/47/87/86/379478786.db2.gz SADCLKSHZNTNGZ-SMDDNHRTSA-N 1 1 325.321 -0.743 20 5 EBBDMO NC(=O)[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351635693 379633850 /nfs/dbraw/zinc/63/38/50/379633850.db2.gz XXCZKERHKPTDQP-SWLSCSKDSA-N 1 1 334.332 -0.378 20 5 EBBDMO NC(=O)[C@@]1(O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351635693 379633855 /nfs/dbraw/zinc/63/38/55/379633855.db2.gz XXCZKERHKPTDQP-SWLSCSKDSA-N 1 1 334.332 -0.378 20 5 EBBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548941318 379749872 /nfs/dbraw/zinc/74/98/72/379749872.db2.gz JWHZYSILGSIYSV-LLVKDONJSA-N 1 1 338.368 -0.010 20 5 EBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000186968906 154147556 /nfs/dbraw/zinc/14/75/56/154147556.db2.gz HDMFBGIFWUJJRZ-VXGBXAGGSA-N 1 1 338.364 -0.330 20 5 EBBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000262631908 154240562 /nfs/dbraw/zinc/24/05/62/154240562.db2.gz UPTIFDXRTSXMDZ-CQSZACIVSA-N 1 1 348.359 -0.132 20 5 EBBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264824862 154295506 /nfs/dbraw/zinc/29/55/06/154295506.db2.gz YKYFDUBDXJGMJS-SNVBAGLBSA-N 1 1 343.409 -0.100 20 5 EBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000343620095 156148087 /nfs/dbraw/zinc/14/80/87/156148087.db2.gz UNUUBGWQPOHFAN-AWEZNQCLSA-N 1 1 341.368 -0.701 20 5 EBBDMO CCOCCN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174782257 264591739 /nfs/dbraw/zinc/59/17/39/264591739.db2.gz ZXZMOVRMBQDDSK-CQSZACIVSA-N 1 1 327.385 -0.194 20 5 EBBDMO O=C([C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCNCC1 ZINC000430607895 265149845 /nfs/dbraw/zinc/14/98/45/265149845.db2.gz BPTLYGROGRYEMA-ZDUSSCGKSA-N 1 1 336.396 -0.065 20 5 EBBDMO O=C([C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCNCC1 ZINC000430607895 265149848 /nfs/dbraw/zinc/14/98/48/265149848.db2.gz BPTLYGROGRYEMA-ZDUSSCGKSA-N 1 1 336.396 -0.065 20 5 EBBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCO1 ZINC000432578783 265176974 /nfs/dbraw/zinc/17/69/74/265176974.db2.gz IGWSYRKXZFRCBL-LLVKDONJSA-N 1 1 326.357 -0.197 20 5 EBBDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982128 279089446 /nfs/dbraw/zinc/08/94/46/279089446.db2.gz MXPJFKMDKWLNQM-SNPRPXQTSA-N 1 1 339.396 -0.053 20 5 EBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000160995093 290020388 /nfs/dbraw/zinc/02/03/88/290020388.db2.gz TYSAHFWHDMUPAB-JTQLQIEISA-N 1 1 336.352 -0.304 20 5 EBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277785806 303299854 /nfs/dbraw/zinc/29/98/54/303299854.db2.gz USJGBEQPABSUDY-JTQLQIEISA-N 1 1 337.336 -0.235 20 5 EBBDMO O=[N+]([O-])c1cnn(CCNC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000768480136 583315294 /nfs/dbraw/zinc/31/52/94/583315294.db2.gz 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[NH3+][C@@H]1NCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]2NCN[C@@H]21 ZINC001162436310 832038834 /nfs/dbraw/zinc/03/88/34/832038834.db2.gz JXHFOYPHRVUSMG-SZEHBUNVSA-N 1 1 349.729 -0.315 20 5 EBBDMO [NH3+][C@@H]1NCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]2NCN[C@H]21 ZINC001162436307 832039227 /nfs/dbraw/zinc/03/92/27/832039227.db2.gz JXHFOYPHRVUSMG-FXBDTBDDSA-N 1 1 349.729 -0.315 20 5 EBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H]2NCN[C@@H]21 ZINC001162436124 832039413 /nfs/dbraw/zinc/03/94/13/832039413.db2.gz HYAUTRZQEHDZBE-NRYKZSQYSA-N 1 1 335.155 -0.812 20 5 EBBDMO O=C(NCCC1(C[NH2+]CCN2CCNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494411 832191928 /nfs/dbraw/zinc/19/19/28/832191928.db2.gz IWFHNELDJHBXQH-VXGBXAGGSA-N 1 1 339.396 -0.447 20 5 EBBDMO C[N@H+](CCNS(C)(=O)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001320154233 838703886 /nfs/dbraw/zinc/70/38/86/838703886.db2.gz PXAXEIOYJQXHEE-LLVKDONJSA-N 1 1 347.393 -0.185 20 5 EBBDMO 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C[N@H+]1CC[C@@](O)(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306911 157232324 /nfs/dbraw/zinc/23/23/24/157232324.db2.gz NNAVDNKYWLMUPU-GFCCVEGCSA-N 1 1 330.366 -0.279 20 5 EBBDMO C[N@H+]1CC[C@@](O)(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358331586 157234037 /nfs/dbraw/zinc/23/40/37/157234037.db2.gz RHBINIRPGJSDNB-GFCCVEGCSA-N 1 1 330.366 -0.279 20 5 EBBDMO C[C@](O)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000358364417 157235378 /nfs/dbraw/zinc/23/53/78/157235378.db2.gz ZIIQQMPAZRLCOC-AWEZNQCLSA-N 1 1 341.368 -0.619 20 5 EBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186673829 419642064 /nfs/dbraw/zinc/64/20/64/419642064.db2.gz AMTKBOSMKZQKMP-LLVKDONJSA-N 1 1 336.352 -0.786 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000173357669 264587981 /nfs/dbraw/zinc/58/79/81/264587981.db2.gz QUEAZIVYWGEKER-DGCLKSJQSA-N 1 1 344.393 -0.196 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 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C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247547510 376458853 /nfs/dbraw/zinc/45/88/53/376458853.db2.gz PPLYHNJOCLVLAC-CKYFFXLPSA-N 1 1 334.398 -0.094 20 5 EBBDMO NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842781 376667740 /nfs/dbraw/zinc/66/77/40/376667740.db2.gz UBJJKBIFWARGBS-YPMHNXCESA-N 1 1 345.377 -0.303 20 5 EBBDMO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000339842781 376667748 /nfs/dbraw/zinc/66/77/48/376667748.db2.gz UBJJKBIFWARGBS-YPMHNXCESA-N 1 1 345.377 -0.303 20 5 EBBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598185496 378157597 /nfs/dbraw/zinc/15/75/97/378157597.db2.gz KGGIUMABWAPMHW-UHFFFAOYSA-N 1 1 326.357 -0.282 20 5 EBBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598183958 378157855 /nfs/dbraw/zinc/15/78/55/378157855.db2.gz CSYLUGMCSOYEHT-UHFFFAOYSA-N 1 1 340.384 -0.028 20 5 EBBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562935 378258699 /nfs/dbraw/zinc/25/86/99/378258699.db2.gz KJXVNPQOSPOLMX-DGCLKSJQSA-N 1 1 328.325 -0.584 20 5 EBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418858745 379334831 /nfs/dbraw/zinc/33/48/31/379334831.db2.gz ANNHBBHMIUKDBC-UHFFFAOYSA-N 1 1 330.291 -0.036 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@@H+]3CCOC[C@H]3C2)c1 ZINC000375847511 379436548 /nfs/dbraw/zinc/43/65/48/379436548.db2.gz MBMXZVZTLCJNAG-GFCCVEGCSA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@H+]3CCOC[C@H]3C2)c1 ZINC000375847511 379436561 /nfs/dbraw/zinc/43/65/61/379436561.db2.gz MBMXZVZTLCJNAG-GFCCVEGCSA-N 1 1 342.377 -0.237 20 5 EBBDMO CN(C)S(=O)(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000377780760 379448998 /nfs/dbraw/zinc/44/89/98/379448998.db2.gz RXQQNYNDCLZJEM-UHFFFAOYSA-N 1 1 346.413 -0.395 20 5 EBBDMO CN(C)S(=O)(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000377780760 379449004 /nfs/dbraw/zinc/44/90/04/379449004.db2.gz RXQQNYNDCLZJEM-UHFFFAOYSA-N 1 1 346.413 -0.395 20 5 EBBDMO C[C@H](O)C[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000275065412 379462033 /nfs/dbraw/zinc/46/20/33/379462033.db2.gz XKBBJOCJUYCXPT-JTQLQIEISA-N 1 1 344.393 -0.255 20 5 EBBDMO CN(C[C@H](O)CN1CCOCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275139805 379462082 /nfs/dbraw/zinc/46/20/82/379462082.db2.gz PGDUWECGJWRUJX-NSHDSACASA-N 1 1 340.336 -0.540 20 5 EBBDMO NC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587608 379480464 /nfs/dbraw/zinc/48/04/64/379480464.db2.gz PKMQQRFZJTVBLB-YGRLFVJLSA-N 1 1 325.321 -0.743 20 5 EBBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@@H+](CCO)CC1 ZINC000610075977 380685154 /nfs/dbraw/zinc/68/51/54/380685154.db2.gz KOIUSQMYXRBEAW-UHFFFAOYSA-N 1 1 344.393 -0.253 20 5 EBBDMO C[C@H](CO)[N@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613255 380736852 /nfs/dbraw/zinc/73/68/52/380736852.db2.gz GYHFOIWEMHTXIS-TZMCWYRMSA-N 1 1 327.385 -0.459 20 5 EBBDMO C[C@H](CO)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613255 380736854 /nfs/dbraw/zinc/73/68/54/380736854.db2.gz GYHFOIWEMHTXIS-TZMCWYRMSA-N 1 1 327.385 -0.459 20 5 EBBDMO C[C@H](CO)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613255 380736861 /nfs/dbraw/zinc/73/68/61/380736861.db2.gz GYHFOIWEMHTXIS-TZMCWYRMSA-N 1 1 327.385 -0.459 20 5 EBBDMO C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000151658940 381540430 /nfs/dbraw/zinc/54/04/30/381540430.db2.gz IDSBJGBGDSHNDU-JQWIXIFHSA-N 1 1 326.357 -0.190 20 5 EBBDMO C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151658940 381540440 /nfs/dbraw/zinc/54/04/40/381540440.db2.gz IDSBJGBGDSHNDU-JQWIXIFHSA-N 1 1 326.357 -0.190 20 5 EBBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330644190 155297010 /nfs/dbraw/zinc/29/70/10/155297010.db2.gz HGRPIQJEWLZNPO-LBPRGKRZSA-N 1 1 337.380 -0.491 20 5 EBBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC000331181060 155345609 /nfs/dbraw/zinc/34/56/09/155345609.db2.gz HUKBIICIISCNFU-UHFFFAOYSA-N 1 1 338.368 -0.295 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000266462288 154345490 /nfs/dbraw/zinc/34/54/90/154345490.db2.gz QEAJPUWZAHKTDB-CYBMUJFWSA-N 1 1 333.352 -0.236 20 5 EBBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000357637765 157164583 /nfs/dbraw/zinc/16/45/83/157164583.db2.gz IVCWGBNMGGMYFW-GFCCVEGCSA-N 1 1 338.364 -0.017 20 5 EBBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000415384526 419789428 /nfs/dbraw/zinc/78/94/28/419789428.db2.gz MWSVNCQJGGBKCF-LLVKDONJSA-N 1 1 348.363 -0.160 20 5 EBBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000416293033 419861017 /nfs/dbraw/zinc/86/10/17/419861017.db2.gz JHAHSDLWEALJIE-VXGBXAGGSA-N 1 1 338.364 -0.330 20 5 EBBDMO COC(=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000525268958 420914958 /nfs/dbraw/zinc/91/49/58/420914958.db2.gz RTXNHGABOCKFKV-CYBMUJFWSA-N 1 1 342.352 -0.194 20 5 EBBDMO COC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000525268958 420914960 /nfs/dbraw/zinc/91/49/60/420914960.db2.gz RTXNHGABOCKFKV-CYBMUJFWSA-N 1 1 342.352 -0.194 20 5 EBBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711687 265212338 /nfs/dbraw/zinc/21/23/38/265212338.db2.gz QSMMGDGPNLDQJD-JSGCOSHPSA-N 1 1 327.385 -0.195 20 5 EBBDMO COC(=O)c1cnc(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000790101614 583542043 /nfs/dbraw/zinc/54/20/43/583542043.db2.gz SFUVIWISCNOMLQ-UHFFFAOYSA-N 1 1 337.336 -0.038 20 5 EBBDMO O=C1N[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2CO1 ZINC000830944222 583972397 /nfs/dbraw/zinc/97/23/97/583972397.db2.gz WLAWINZVNDQKNK-USWWRNFRSA-N 1 1 325.325 -0.418 20 5 EBBDMO O=C(C[NH+]1CCCC1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014340 728773631 /nfs/dbraw/zinc/77/36/31/728773631.db2.gz YQBPFQYAEVBXEB-CHWSQXEVSA-N 1 1 336.392 -0.192 20 5 EBBDMO O=C(NC1CC2(C1)CC([NH2+]CCn1cncn1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963791233 723487023 /nfs/dbraw/zinc/48/70/23/723487023.db2.gz PQITYRDSUWTEIW-UBDGZGRMSA-N 1 1 334.380 -0.040 20 5 EBBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064166 729451589 /nfs/dbraw/zinc/45/15/89/729451589.db2.gz YYVOGRAJJAUSNN-YVECIDJPSA-N 1 1 345.421 -0.287 20 5 EBBDMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025671535 730066154 /nfs/dbraw/zinc/06/61/54/730066154.db2.gz OJMQNXYUQMDREB-NHAGDIPZSA-N 1 1 343.347 -0.172 20 5 EBBDMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025783574 730087274 /nfs/dbraw/zinc/08/72/74/730087274.db2.gz LBKQOSRMSGKLSL-NHAGDIPZSA-N 1 1 343.347 -0.172 20 5 EBBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042977671 732695080 /nfs/dbraw/zinc/69/50/80/732695080.db2.gz BKBCFFKMPDAFBX-GHMZBOCLSA-N 1 1 342.396 -0.929 20 5 EBBDMO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977671 732695084 /nfs/dbraw/zinc/69/50/84/732695084.db2.gz BKBCFFKMPDAFBX-GHMZBOCLSA-N 1 1 342.396 -0.929 20 5 EBBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977671 732695086 /nfs/dbraw/zinc/69/50/86/732695086.db2.gz BKBCFFKMPDAFBX-GHMZBOCLSA-N 1 1 342.396 -0.929 20 5 EBBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)N1CCCC1 ZINC001048812682 734519203 /nfs/dbraw/zinc/51/92/03/734519203.db2.gz MPYQNKAJPNZGFP-XJFOESAGSA-N 1 1 336.392 -0.336 20 5 EBBDMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)N1CCCC1 ZINC001048812682 734519205 /nfs/dbraw/zinc/51/92/05/734519205.db2.gz MPYQNKAJPNZGFP-XJFOESAGSA-N 1 1 336.392 -0.336 20 5 EBBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)N1CCCC1 ZINC001048812682 734519206 /nfs/dbraw/zinc/51/92/06/734519206.db2.gz MPYQNKAJPNZGFP-XJFOESAGSA-N 1 1 336.392 -0.336 20 5 EBBDMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cc1=O ZINC001048813006 734519493 /nfs/dbraw/zinc/51/94/93/734519493.db2.gz VMEGTLQBAOPAIL-LXTVHRRPSA-N 1 1 346.387 -0.059 20 5 EBBDMO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cc1=O ZINC001048813006 734519494 /nfs/dbraw/zinc/51/94/94/734519494.db2.gz VMEGTLQBAOPAIL-LXTVHRRPSA-N 1 1 346.387 -0.059 20 5 EBBDMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cc1=O ZINC001048813006 734519495 /nfs/dbraw/zinc/51/94/95/734519495.db2.gz VMEGTLQBAOPAIL-LXTVHRRPSA-N 1 1 346.387 -0.059 20 5 EBBDMO O=C(NC[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000978793758 804982103 /nfs/dbraw/zinc/98/21/03/804982103.db2.gz ACLFZIXABQXAET-YVECIDJPSA-N 1 1 336.392 -0.242 20 5 EBBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079744052 811692435 /nfs/dbraw/zinc/69/24/35/811692435.db2.gz PTOOXNNEXDYTIK-CHWSQXEVSA-N 1 1 342.396 -0.711 20 5 EBBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C2 ZINC001224796747 811776562 /nfs/dbraw/zinc/77/65/62/811776562.db2.gz KWLRHGMVJJBARY-JGPRNRPPSA-N 1 1 328.325 -0.280 20 5 EBBDMO C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856439 812291778 /nfs/dbraw/zinc/29/17/78/812291778.db2.gz DNUQMWYZTCTVRT-VXGBXAGGSA-N 1 1 342.396 -0.927 20 5 EBBDMO C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080988943 812428085 /nfs/dbraw/zinc/42/80/85/812428085.db2.gz INIKIMZZNLFGCG-VXGBXAGGSA-N 1 1 342.396 -0.927 20 5 EBBDMO C[N@@H+](CCNC(=O)NC(C)(C)C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273696 813504877 /nfs/dbraw/zinc/50/48/77/813504877.db2.gz YGNMBMRAEMQFPA-GHMZBOCLSA-N 1 1 329.401 -0.203 20 5 EBBDMO C[N@H+](CCNC(=O)NC(C)(C)C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273696 813504881 /nfs/dbraw/zinc/50/48/81/813504881.db2.gz YGNMBMRAEMQFPA-GHMZBOCLSA-N 1 1 329.401 -0.203 20 5 EBBDMO C[N@@H+](CCNC(=O)NC(C)(C)C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273696 813504887 /nfs/dbraw/zinc/50/48/87/813504887.db2.gz YGNMBMRAEMQFPA-GHMZBOCLSA-N 1 1 329.401 -0.203 20 5 EBBDMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1cnccn1 ZINC001266683342 813639556 /nfs/dbraw/zinc/63/95/56/813639556.db2.gz MEWRDPFLJNKSCE-LMLFDSFASA-N 1 1 334.336 -0.683 20 5 EBBDMO Cn1ncc(C(=O)NC/C=C\C[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001268603122 814314578 /nfs/dbraw/zinc/31/45/78/814314578.db2.gz LDBYZKKHUFWRLM-ARJAWSKDSA-N 1 1 334.340 -0.467 20 5 EBBDMO CCn1cc(C(=O)NCC2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)nn1 ZINC001269513485 814715194 /nfs/dbraw/zinc/71/51/94/814715194.db2.gz UKSHJZMTQBGIEB-UHFFFAOYSA-N 1 1 348.367 -0.008 20 5 EBBDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363118 816307739 /nfs/dbraw/zinc/30/77/39/816307739.db2.gz CLZZRCUDNDNWLB-DDHJBXDOSA-N 1 1 337.384 -0.096 20 5 EBBDMO CNC(=O)NC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001275668330 817269613 /nfs/dbraw/zinc/26/96/13/817269613.db2.gz KVYNJPFCXLKODI-NXEZZACHSA-N 1 1 343.384 -0.819 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001307218757 821769868 /nfs/dbraw/zinc/76/98/68/821769868.db2.gz OAKCLHSIKALDMS-UHFFFAOYSA-N 1 1 328.350 -0.581 20 5 EBBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318458942 822320505 /nfs/dbraw/zinc/32/05/05/822320505.db2.gz BSIPGVCZCROVKA-GFCCVEGCSA-N 1 1 339.400 -0.424 20 5 EBBDMO COc1nc(C)ncc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001128914305 828547905 /nfs/dbraw/zinc/54/79/05/828547905.db2.gz BIDBNAWJRHAEEJ-UHFFFAOYSA-N 1 1 349.351 -0.045 20 5 EBBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC001118566358 826960800 /nfs/dbraw/zinc/96/08/00/826960800.db2.gz JNDUBTFJTUOCPQ-LSDHHAIUSA-N 1 1 339.396 -0.317 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cn2cccnc2n1 ZINC001130800834 828942498 /nfs/dbraw/zinc/94/24/98/828942498.db2.gz RDFTTXVHXGROBG-UHFFFAOYSA-N 1 1 344.335 -0.109 20 5 EBBDMO Cc1cc(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n(C)n1 ZINC001131281838 829077950 /nfs/dbraw/zinc/07/79/50/829077950.db2.gz TYYHECALNDQPMN-UHFFFAOYSA-N 1 1 335.368 -0.181 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc2nncn2c1 ZINC001135244431 829929330 /nfs/dbraw/zinc/92/93/30/829929330.db2.gz XWRZHEHRXZOSKS-UHFFFAOYSA-N 1 1 344.335 -0.109 20 5 EBBDMO CC(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001151394753 831070764 /nfs/dbraw/zinc/07/07/64/831070764.db2.gz LEWQXLILJNOJBI-UHFFFAOYSA-N 1 1 347.397 -0.643 20 5 EBBDMO CN(C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1)[C@H]1CCOC1 ZINC001158734672 831682051 /nfs/dbraw/zinc/68/20/51/831682051.db2.gz QEODRHXQEHQEKE-NSHDSACASA-N 1 1 334.380 -0.019 20 5 EBBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001353312752 832421366 /nfs/dbraw/zinc/42/13/66/832421366.db2.gz VCYAJMOPHOIGRH-ZFWWWQNUSA-N 1 1 340.428 -0.232 20 5 EBBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169026638 832444075 /nfs/dbraw/zinc/44/40/75/832444075.db2.gz YFUDWCJIKOLSDZ-FQUUOJAGSA-N 1 1 326.397 -0.437 20 5 EBBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187190907 833908821 /nfs/dbraw/zinc/90/88/21/833908821.db2.gz WNODTGUGNPBPRP-UHFFFAOYSA-N 1 1 336.352 -0.701 20 5 EBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001190700254 834321288 /nfs/dbraw/zinc/32/12/88/834321288.db2.gz WGNAZXKOWDQOMK-NSHDSACASA-N 1 1 346.413 -0.395 20 5 EBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cnc3n2CCC3)n1 ZINC001194896394 835162054 /nfs/dbraw/zinc/16/20/54/835162054.db2.gz JPJPXWKYFJMHMK-UHFFFAOYSA-N 1 1 326.338 -0.051 20 5 EBBDMO C[N@H+](CCNS(C)(=O)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001339033492 842889601 /nfs/dbraw/zinc/88/96/01/842889601.db2.gz RAWUXEZPZJLUDN-GFCCVEGCSA-N 1 1 347.393 -0.185 20 5 EBBDMO C[N@@H+](CCNS(C)(=O)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001339033492 842889608 /nfs/dbraw/zinc/88/96/08/842889608.db2.gz RAWUXEZPZJLUDN-GFCCVEGCSA-N 1 1 347.393 -0.185 20 5 EBBDMO C[NH+]1CC(N2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)C1 ZINC001348304341 843679936 /nfs/dbraw/zinc/67/99/36/843679936.db2.gz FWGHBMBSQJVLMA-UHFFFAOYSA-N 1 1 336.396 -0.015 20 5 EBBDMO CC1CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001691314903 1125849985 /nfs/dbraw/zinc/84/99/85/1125849985.db2.gz KUBVWOQLOIAMDF-CHWSQXEVSA-N 1 1 326.397 -0.042 20 5 EBBDMO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC001356584362 1130882056 /nfs/dbraw/zinc/88/20/56/1130882056.db2.gz NHACRLQEPZFGSD-JSGCOSHPSA-N 1 1 326.401 -0.622 20 5 EBBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000286017505 375926585 /nfs/dbraw/zinc/92/65/85/375926585.db2.gz ZXIDYPCUMWVPCH-CHWSQXEVSA-N 1 1 336.348 -0.312 20 5 EBBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000286017513 375927502 /nfs/dbraw/zinc/92/75/02/375927502.db2.gz ZXIDYPCUMWVPCH-QWHCGFSZSA-N 1 1 336.348 -0.312 20 5 EBBDMO CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CCO ZINC000614894616 377164614 /nfs/dbraw/zinc/16/46/14/377164614.db2.gz HHQUCGJURVGKEW-UHFFFAOYSA-N 1 1 338.364 -0.328 20 5 EBBDMO Cn1cnnc1N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594023699 377925397 /nfs/dbraw/zinc/92/53/97/377925397.db2.gz SHDZEVMCJXIGCL-GFCCVEGCSA-N 1 1 336.356 -0.897 20 5 EBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394617 377936585 /nfs/dbraw/zinc/93/65/85/377936585.db2.gz YOYPNJVYZZFWBL-UONOGXRCSA-N 1 1 348.359 -0.398 20 5 EBBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111472 377975118 /nfs/dbraw/zinc/97/51/18/377975118.db2.gz KZURRWMOLAACPG-SNVBAGLBSA-N 1 1 344.349 -0.485 20 5 EBBDMO NS(=O)(=O)c1cccc(NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176372 378200890 /nfs/dbraw/zinc/20/08/90/378200890.db2.gz RUEUANYWTIRZJZ-SECBINFHSA-N 1 1 330.366 -0.279 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCO)CC1 ZINC000265844207 379204681 /nfs/dbraw/zinc/20/46/81/379204681.db2.gz TUANUYCGIOSILN-UHFFFAOYSA-N 1 1 344.393 -0.253 20 5 EBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554887521 379250204 /nfs/dbraw/zinc/25/02/04/379250204.db2.gz HTLZJOBWJVXUHC-NSHDSACASA-N 1 1 336.352 -0.304 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1 ZINC000375847518 379437723 /nfs/dbraw/zinc/43/77/23/379437723.db2.gz MBMXZVZTLCJNAG-LBPRGKRZSA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@H+]3CCOC[C@@H]3C2)c1 ZINC000375847518 379437730 /nfs/dbraw/zinc/43/77/30/379437730.db2.gz MBMXZVZTLCJNAG-LBPRGKRZSA-N 1 1 342.377 -0.237 20 5 EBBDMO NC(=O)[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351635692 379633466 /nfs/dbraw/zinc/63/34/66/379633466.db2.gz XXCZKERHKPTDQP-IUODEOHRSA-N 1 1 334.332 -0.378 20 5 EBBDMO NC(=O)[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351635692 379633477 /nfs/dbraw/zinc/63/34/77/379633477.db2.gz XXCZKERHKPTDQP-IUODEOHRSA-N 1 1 334.332 -0.378 20 5 EBBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000602989406 379682487 /nfs/dbraw/zinc/68/24/87/379682487.db2.gz OBJHWNQHIPZVET-UHFFFAOYSA-N 1 1 337.380 -0.538 20 5 EBBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000271362751 379754930 /nfs/dbraw/zinc/75/49/30/379754930.db2.gz PYUIBMMLVNYVIW-RYUDHWBXSA-N 1 1 347.397 -0.834 20 5 EBBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)[N@@H+]1CCO ZINC000456214828 382045469 /nfs/dbraw/zinc/04/54/69/382045469.db2.gz SKPNFUFJVNCYLK-TXEJJXNPSA-N 1 1 338.364 -0.330 20 5 EBBDMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000276656146 382067209 /nfs/dbraw/zinc/06/72/09/382067209.db2.gz ZQIJQLRUHFAOPR-HNNXBMFYSA-N 1 1 334.332 -0.594 20 5 EBBDMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000276656146 382067216 /nfs/dbraw/zinc/06/72/16/382067216.db2.gz ZQIJQLRUHFAOPR-HNNXBMFYSA-N 1 1 334.332 -0.594 20 5 EBBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000268688963 382167363 /nfs/dbraw/zinc/16/73/63/382167363.db2.gz RJANCEOXABVNQR-UHFFFAOYSA-N 1 1 338.368 -0.586 20 5 EBBDMO Cc1nn(C)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000330783271 155310150 /nfs/dbraw/zinc/31/01/50/155310150.db2.gz ZSWXQGRMYUXSQS-UHFFFAOYSA-N 1 1 338.368 -0.469 20 5 EBBDMO Cn1c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000331109002 155339047 /nfs/dbraw/zinc/33/90/47/155339047.db2.gz SCXUJVRVFHOFEB-AWEZNQCLSA-N 1 1 326.353 -0.254 20 5 EBBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176226230 154111870 /nfs/dbraw/zinc/11/18/70/154111870.db2.gz GCLFLQOVHKJNDZ-JTQLQIEISA-N 1 1 332.386 -0.704 20 5 EBBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000290731845 155007585 /nfs/dbraw/zinc/00/75/85/155007585.db2.gz WPWCNFYMYZMBRU-UHFFFAOYSA-N 1 1 339.396 -0.244 20 5 EBBDMO CN(CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC[NH+](C)C ZINC000290731845 155007587 /nfs/dbraw/zinc/00/75/87/155007587.db2.gz WPWCNFYMYZMBRU-UHFFFAOYSA-N 1 1 339.396 -0.244 20 5 EBBDMO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742748 419013581 /nfs/dbraw/zinc/01/35/81/419013581.db2.gz KHKSASYATMKLBK-PWSUYJOCSA-N 1 1 334.398 -0.093 20 5 EBBDMO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742748 419013584 /nfs/dbraw/zinc/01/35/84/419013584.db2.gz KHKSASYATMKLBK-PWSUYJOCSA-N 1 1 334.398 -0.093 20 5 EBBDMO COC(=O)[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413913615 419320159 /nfs/dbraw/zinc/32/01/59/419320159.db2.gz FSIMKZQMLBPFLQ-NSHDSACASA-N 1 1 339.352 -0.255 20 5 EBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531664677 420927148 /nfs/dbraw/zinc/92/71/48/420927148.db2.gz KDRUFCAVSIVGFC-NWDGAFQWSA-N 1 1 338.368 -0.054 20 5 EBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278726999 420937343 /nfs/dbraw/zinc/93/73/43/420937343.db2.gz LBAXXNGCLXYRRV-TXEJJXNPSA-N 1 1 325.321 -0.031 20 5 EBBDMO COc1cc(CCNC(=O)[C@@H]([NH3+])CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000353087720 420943910 /nfs/dbraw/zinc/94/39/10/420943910.db2.gz NEKDYBBNTIQARK-VIFPVBQESA-N 1 1 340.336 -0.527 20 5 EBBDMO COc1ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000418920359 264839324 /nfs/dbraw/zinc/83/93/24/264839324.db2.gz BTKILYRTKDHRRQ-UHFFFAOYSA-N 1 1 346.290 -0.070 20 5 EBBDMO Cn1ccnc1CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438719515 265259235 /nfs/dbraw/zinc/25/92/35/265259235.db2.gz UBYUNDHVPHKVBD-CQSZACIVSA-N 1 1 349.395 -0.297 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368715804 295289546 /nfs/dbraw/zinc/28/95/46/295289546.db2.gz PLLDSUQACNBVCK-JTQLQIEISA-N 1 1 342.377 -0.237 20 5 EBBDMO NS(=O)(=O)c1cccc(N2CC[N@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368715804 295289548 /nfs/dbraw/zinc/28/95/48/295289548.db2.gz PLLDSUQACNBVCK-JTQLQIEISA-N 1 1 342.377 -0.237 20 5 EBBDMO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(C)(=O)=O ZINC000247345905 582552426 /nfs/dbraw/zinc/55/24/26/582552426.db2.gz GJAOUAGOWLYJSM-ZYHUDNBSSA-N 1 1 334.398 -0.093 20 5 EBBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(C)(=O)=O ZINC000247345905 582552429 /nfs/dbraw/zinc/55/24/29/582552429.db2.gz GJAOUAGOWLYJSM-ZYHUDNBSSA-N 1 1 334.398 -0.093 20 5 EBBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000933103717 651712911 /nfs/dbraw/zinc/71/29/11/651712911.db2.gz HCKPRKWRXKCJEG-CYBMUJFWSA-N 1 1 326.378 -0.029 20 5 EBBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000933103717 651712915 /nfs/dbraw/zinc/71/29/15/651712915.db2.gz HCKPRKWRXKCJEG-CYBMUJFWSA-N 1 1 326.378 -0.029 20 5 EBBDMO O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969059466 725145920 /nfs/dbraw/zinc/14/59/20/725145920.db2.gz LJYCJGWZXCHRBQ-XJFOESAGSA-N 1 1 336.392 -0.051 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2nnnn2C2CC2)CC1 ZINC000996428494 726392208 /nfs/dbraw/zinc/39/22/08/726392208.db2.gz FVUGQPANVFYQOK-VXGBXAGGSA-N 1 1 335.368 -0.246 20 5 EBBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)COCC[NH+](C)C ZINC001067385546 740128290 /nfs/dbraw/zinc/12/82/90/740128290.db2.gz GKMZAKBWKBWCMM-CHWSQXEVSA-N 1 1 344.412 -0.463 20 5 EBBDMO CC1CC[NH+](CC(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001001806680 809680521 /nfs/dbraw/zinc/68/05/21/809680521.db2.gz MEFLMTLGENDEBJ-ZIAGYGMSSA-N 1 1 338.408 -0.042 20 5 EBBDMO C[N@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001266306194 813520917 /nfs/dbraw/zinc/52/09/17/813520917.db2.gz GTCZRMRWSUFCQL-UHFFFAOYSA-N 1 1 349.391 -0.425 20 5 EBBDMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001266306194 813520921 /nfs/dbraw/zinc/52/09/21/813520921.db2.gz GTCZRMRWSUFCQL-UHFFFAOYSA-N 1 1 349.391 -0.425 20 5 EBBDMO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001270743717 815874406 /nfs/dbraw/zinc/87/44/06/815874406.db2.gz VLSBSJWPIAEXTQ-GHMZBOCLSA-N 1 1 348.425 -0.781 20 5 EBBDMO C[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001303901069 821761602 /nfs/dbraw/zinc/76/16/02/821761602.db2.gz YRNCYMNBNQCYEF-SNVBAGLBSA-N 1 1 342.377 -0.307 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129542014 828633271 /nfs/dbraw/zinc/63/32/71/828633271.db2.gz KCFIVFXOICLTKX-UHFFFAOYSA-N 1 1 344.335 -0.109 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccn(C)c(=O)c1 ZINC001130376747 828801915 /nfs/dbraw/zinc/80/19/15/828801915.db2.gz ZVPGDMGNBDFPCG-UHFFFAOYSA-N 1 1 334.336 -0.453 20 5 EBBDMO COCCC[N@@H+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342513 826614551 /nfs/dbraw/zinc/61/45/51/826614551.db2.gz PLWPYJXUHRMRDD-UHFFFAOYSA-N 1 1 326.353 -0.159 20 5 EBBDMO CCCC(=O)NCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124350413 827819712 /nfs/dbraw/zinc/81/97/12/827819712.db2.gz HANMGOYXIMUXHB-UHFFFAOYSA-N 1 1 326.357 -0.550 20 5 EBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC001126948823 828235241 /nfs/dbraw/zinc/23/52/41/828235241.db2.gz IYSPDGRIMACDHN-HUUCEWRRSA-N 1 1 346.387 -0.058 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cc(C(N)=O)cn1C ZINC001130892174 828990706 /nfs/dbraw/zinc/99/07/06/828990706.db2.gz QNQHZIADRHCRIE-UHFFFAOYSA-N 1 1 349.351 -0.715 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccnc2n[nH]nc21 ZINC001131168715 829065145 /nfs/dbraw/zinc/06/51/45/829065145.db2.gz RLUKHHPVSJBHFV-UHFFFAOYSA-N 1 1 345.323 -0.486 20 5 EBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnc2cccnn21 ZINC001134945027 829875838 /nfs/dbraw/zinc/87/58/38/829875838.db2.gz LHKPPVYHADRJDN-UHFFFAOYSA-N 1 1 344.335 -0.109 20 5 EBBDMO [NH3+][C@@H]1NCN(C(=O)c2cccc3nc4ccccc4nc32)[C@@H]2NCN[C@H]21 ZINC001153872594 831281823 /nfs/dbraw/zinc/28/18/23/831281823.db2.gz OWTPALSRTDRXRS-BBWFWOEESA-N 1 1 349.398 -0.084 20 5 EBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1nccs1 ZINC001157760979 831590769 /nfs/dbraw/zinc/59/07/69/831590769.db2.gz JKCIXDNHFQLOIQ-RKDXNWHRSA-N 1 1 327.366 -0.157 20 5 EBBDMO Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775375 831592207 /nfs/dbraw/zinc/59/22/07/831592207.db2.gz PZQQDDDJNAKBKE-GHMZBOCLSA-N 1 1 338.368 -0.274 20 5 EBBDMO CSc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-] ZINC001162439247 832040405 /nfs/dbraw/zinc/04/04/05/832040405.db2.gz KIOOBUSAXQPKCV-JSKYLQRQSA-N 1 1 346.804 -0.743 20 5 EBBDMO [NH3+][C@@H]1NCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]2NCN[C@@H]21 ZINC001162439502 832041479 /nfs/dbraw/zinc/04/14/79/832041479.db2.gz LZLOJARZZQPKIK-SZEHBUNVSA-N 1 1 349.729 -0.315 20 5 EBBDMO [NH3+][C@@H]1NCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H]2NCN[C@H]21 ZINC001162447343 832045124 /nfs/dbraw/zinc/04/51/24/832045124.db2.gz MAMHJYSKWFRCRK-ZNMIVQPWSA-N 1 1 342.363 -0.451 20 5 EBBDMO CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C)CC1 ZINC001351735926 832275483 /nfs/dbraw/zinc/27/54/83/832275483.db2.gz VMQXEVZUFMAERT-CQSZACIVSA-N 1 1 326.401 -0.669 20 5 EBBDMO CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C)CC1 ZINC001351735926 832275486 /nfs/dbraw/zinc/27/54/86/832275486.db2.gz VMQXEVZUFMAERT-CQSZACIVSA-N 1 1 326.401 -0.669 20 5 EBBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001353312749 832421346 /nfs/dbraw/zinc/42/13/46/832421346.db2.gz VCYAJMOPHOIGRH-UKRRQHHQSA-N 1 1 340.428 -0.232 20 5 EBBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169026639 832444171 /nfs/dbraw/zinc/44/41/71/832444171.db2.gz YFUDWCJIKOLSDZ-RQJABVFESA-N 1 1 326.397 -0.437 20 5 EBBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@]1(CO)COCC[NH2+]1 ZINC001171662197 832570550 /nfs/dbraw/zinc/57/05/50/832570550.db2.gz PZCFOEYJHLASPV-CQSZACIVSA-N 1 1 325.321 -0.559 20 5 EBBDMO CS(=O)(=O)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230353 836555048 /nfs/dbraw/zinc/55/50/48/836555048.db2.gz OHEMPFFXICVQBM-CHWSQXEVSA-N 1 1 347.437 -0.086 20 5 EBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1cncc(F)c1 ZINC001484482888 1126592198 /nfs/dbraw/zinc/59/21/98/1126592198.db2.gz YVULPBWJRBFNBZ-CHWSQXEVSA-N 1 1 326.328 -0.204 20 5 EBBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000353609637 282088927 /nfs/dbraw/zinc/08/89/27/282088927.db2.gz UIMBDQFPPGOUCR-SECBINFHSA-N 1 1 345.381 -0.491 20 5 EBBDMO C[NH+]1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000537866301 376209326 /nfs/dbraw/zinc/20/93/26/376209326.db2.gz XZDQFDSHAGJLOY-UHFFFAOYSA-N 1 1 348.407 -0.114 20 5 EBBDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247483232 376446568 /nfs/dbraw/zinc/44/65/68/376446568.db2.gz KHKSASYATMKLBK-CMPLNLGQSA-N 1 1 334.398 -0.093 20 5 EBBDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247483232 376446574 /nfs/dbraw/zinc/44/65/74/376446574.db2.gz KHKSASYATMKLBK-CMPLNLGQSA-N 1 1 334.398 -0.093 20 5 EBBDMO CCn1cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000408357740 376872494 /nfs/dbraw/zinc/87/24/94/376872494.db2.gz CIPJRYNVAFBCAO-AOOOYVTPSA-N 1 1 329.382 -0.007 20 5 EBBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000564613393 377447781 /nfs/dbraw/zinc/44/77/81/377447781.db2.gz MTGNTWYJPDDKHY-UHFFFAOYSA-N 1 1 338.368 -0.469 20 5 EBBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592195138 377802289 /nfs/dbraw/zinc/80/22/89/377802289.db2.gz JIWWVNGWOXGMAC-PWSUYJOCSA-N 1 1 325.321 -0.388 20 5 EBBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826887 378029119 /nfs/dbraw/zinc/02/91/19/378029119.db2.gz PNHSOACLYIHHQQ-DGCLKSJQSA-N 1 1 340.384 -0.160 20 5 EBBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000069501404 379084616 /nfs/dbraw/zinc/08/46/16/379084616.db2.gz ASKCVTAGHONBTL-LBPRGKRZSA-N 1 1 338.364 -0.017 20 5 EBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922961 379337817 /nfs/dbraw/zinc/33/78/17/379337817.db2.gz LONLDJJSNCQIOZ-UHFFFAOYSA-N 1 1 330.291 -0.036 20 5 EBBDMO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249400806 379357349 /nfs/dbraw/zinc/35/73/49/379357349.db2.gz VAOAMZJVKXVPHQ-CHWSQXEVSA-N 1 1 325.369 -0.001 20 5 EBBDMO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249400806 379357356 /nfs/dbraw/zinc/35/73/56/379357356.db2.gz VAOAMZJVKXVPHQ-CHWSQXEVSA-N 1 1 325.369 -0.001 20 5 EBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000604485145 379706897 /nfs/dbraw/zinc/70/68/97/379706897.db2.gz SKWQGZCRCILCJL-UHFFFAOYSA-N 1 1 338.368 -0.668 20 5 EBBDMO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000122481195 379760799 /nfs/dbraw/zinc/76/07/99/379760799.db2.gz OMWVVDPWLLFQRJ-LBPRGKRZSA-N 1 1 334.398 -0.093 20 5 EBBDMO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000122481195 379760801 /nfs/dbraw/zinc/76/08/01/379760801.db2.gz OMWVVDPWLLFQRJ-LBPRGKRZSA-N 1 1 334.398 -0.093 20 5 EBBDMO C[C@@H](O)C[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000275887905 154671872 /nfs/dbraw/zinc/67/18/72/154671872.db2.gz XKBBJOCJUYCXPT-SNVBAGLBSA-N 1 1 344.393 -0.255 20 5 EBBDMO COC(=O)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413913614 419320598 /nfs/dbraw/zinc/32/05/98/419320598.db2.gz FSIMKZQMLBPFLQ-LLVKDONJSA-N 1 1 339.352 -0.255 20 5 EBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000160995193 419952681 /nfs/dbraw/zinc/95/26/81/419952681.db2.gz TYSAHFWHDMUPAB-SNVBAGLBSA-N 1 1 336.352 -0.304 20 5 EBBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCCO ZINC000420974922 420914828 /nfs/dbraw/zinc/91/48/28/420914828.db2.gz PLOXFQXUAAYNRK-UHFFFAOYSA-N 1 1 347.393 -0.186 20 5 EBBDMO 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