smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N1CC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000570445126 530319545 /nfs/dbraw/zinc/31/95/45/530319545.db2.gz XQXMUAVJCQTNPW-LBPRGKRZSA-N 0 3 391.471 0.240 20 5 GCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592013 530500487 /nfs/dbraw/zinc/50/04/87/530500487.db2.gz QJBIQMHCSWDTNO-NWDGAFQWSA-N 0 3 383.202 0.741 20 5 GCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592015 530500706 /nfs/dbraw/zinc/50/07/06/530500706.db2.gz QJBIQMHCSWDTNO-VXGBXAGGSA-N 0 3 383.202 0.741 20 5 GCBDHN CC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)S(C)(=O)=O ZINC000053016825 530495493 /nfs/dbraw/zinc/49/54/93/530495493.db2.gz VXGMDIJQYHYJBT-VIFPVBQESA-N 0 3 375.428 0.374 20 5 GCBDHN CSCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269042264 530696111 /nfs/dbraw/zinc/69/61/11/530696111.db2.gz AAUOTMMWGUYLFV-GFCCVEGCSA-N 0 3 376.460 0.070 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000592982766 530789212 /nfs/dbraw/zinc/78/92/12/530789212.db2.gz HFQHEAXVIURCIM-SNVBAGLBSA-N 0 3 393.263 0.621 20 5 GCBDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522000902 530851474 /nfs/dbraw/zinc/85/14/74/530851474.db2.gz YZBFIJJQQRNFLK-JTQLQIEISA-N 0 3 382.364 0.796 20 5 GCBDHN NC[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594451309 530864785 /nfs/dbraw/zinc/86/47/85/530864785.db2.gz KFGKFLVSPAHKMZ-JTQLQIEISA-N 0 3 384.336 0.269 20 5 GCBDHN O=C(C[C@H]1CSCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262828935 531072634 /nfs/dbraw/zinc/07/26/34/531072634.db2.gz UOXRODCMOPDMBA-NSHDSACASA-N 0 3 388.471 0.084 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000823651918 599568380 /nfs/dbraw/zinc/56/83/80/599568380.db2.gz RLVRIPVBCSKFMZ-INIZCTEOSA-N 0 3 384.400 0.997 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000823651918 599568383 /nfs/dbraw/zinc/56/83/83/599568383.db2.gz RLVRIPVBCSKFMZ-INIZCTEOSA-N 0 3 384.400 0.997 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000823651918 599568385 /nfs/dbraw/zinc/56/83/85/599568385.db2.gz RLVRIPVBCSKFMZ-INIZCTEOSA-N 0 3 384.400 0.997 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000823651918 599568387 /nfs/dbraw/zinc/56/83/87/599568387.db2.gz RLVRIPVBCSKFMZ-INIZCTEOSA-N 0 3 384.400 0.997 20 5 GCBDHN C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821622311 607125973 /nfs/dbraw/zinc/12/59/73/607125973.db2.gz YTWXVLSBMIUPIK-VIFPVBQESA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821622311 607125974 /nfs/dbraw/zinc/12/59/74/607125974.db2.gz YTWXVLSBMIUPIK-VIFPVBQESA-N 0 3 388.417 0.864 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826390423 607838472 /nfs/dbraw/zinc/83/84/72/607838472.db2.gz ZHLOYFFZGBTRBG-HNNXBMFYSA-N 0 3 386.416 0.693 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826390423 607838473 /nfs/dbraw/zinc/83/84/73/607838473.db2.gz ZHLOYFFZGBTRBG-HNNXBMFYSA-N 0 3 386.416 0.693 20 5 GCBDHN C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824999953 608150840 /nfs/dbraw/zinc/15/08/40/608150840.db2.gz LFOQHXURBSNTPF-OCCSQVGLSA-N 0 3 387.448 0.632 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000826389519 608436225 /nfs/dbraw/zinc/43/62/25/608436225.db2.gz AELLZGXWUSXQOH-LBPRGKRZSA-N 0 3 387.404 0.088 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000826389519 608436227 /nfs/dbraw/zinc/43/62/27/608436227.db2.gz AELLZGXWUSXQOH-LBPRGKRZSA-N 0 3 387.404 0.088 20 5 GCBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1I ZINC000701034554 640123312 /nfs/dbraw/zinc/12/33/12/640123312.db2.gz MRPCNZBSNOSFIV-SECBINFHSA-N 0 3 391.165 0.918 20 5 GCBDHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768863447 640763433 /nfs/dbraw/zinc/76/34/33/640763433.db2.gz VYTUIIZMLORANO-GFCCVEGCSA-N 0 3 388.471 0.583 20 5 GCBDHN COCCNCCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000842824751 642353407 /nfs/dbraw/zinc/35/34/07/642353407.db2.gz AGDZCGRMDQNDRM-UHFFFAOYSA-N 0 3 376.391 0.287 20 5 GCBDHN COc1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000106267797 1192363042 /nfs/dbraw/zinc/36/30/42/1192363042.db2.gz XXPUULZYPQAGNG-UHFFFAOYSA-N 0 3 386.474 0.909 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279006234 1192434298 /nfs/dbraw/zinc/43/42/98/1192434298.db2.gz DLDVAQSTEJLQDP-KRWDZBQOSA-N 0 3 375.385 0.906 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000512389587 1192642778 /nfs/dbraw/zinc/64/27/78/1192642778.db2.gz OGCPKQHTLMVWRI-KGLIPLIRSA-N 0 3 382.465 0.790 20 5 GCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H](CO)CN1CCCCC1 ZINC000512395372 1192645203 /nfs/dbraw/zinc/64/52/03/1192645203.db2.gz UCIVRLSTFHCSOG-ZDUSSCGKSA-N 0 3 392.412 0.283 20 5 GCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274514176 1184083477 /nfs/dbraw/zinc/08/34/77/1184083477.db2.gz YJASUHGDAKRESG-OAHLLOKOSA-N 0 3 391.472 0.857 20 5 GCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000276286081 1185719536 /nfs/dbraw/zinc/71/95/36/1185719536.db2.gz YSISXBDJKPPMSP-LBPRGKRZSA-N 0 3 387.414 0.333 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583452041 1186857741 /nfs/dbraw/zinc/85/77/41/1186857741.db2.gz QPKBMLKZMPXUMI-UHTWSYAYSA-N 0 3 377.401 0.174 20 5 GCBDHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000410886753 1187450731 /nfs/dbraw/zinc/45/07/31/1187450731.db2.gz OPWNTWHOSVVGAG-UHFFFAOYSA-N 0 3 380.449 0.753 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC000066360841 1187673488 /nfs/dbraw/zinc/67/34/88/1187673488.db2.gz RYTBNNKBVDOZML-UHFFFAOYSA-N 0 3 399.473 0.658 20 5 GCBDHN NS(=O)(=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000580768893 1187699687 /nfs/dbraw/zinc/69/96/87/1187699687.db2.gz BTASBSQFZOCZCM-ZDUSSCGKSA-N 0 3 381.410 0.772 20 5 GCBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1OC ZINC000581735523 1187718030 /nfs/dbraw/zinc/71/80/30/1187718030.db2.gz STXNXXFMITYCHV-KBPBESRZSA-N 0 3 383.401 0.376 20 5 GCBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262829 1187732936 /nfs/dbraw/zinc/73/29/36/1187732936.db2.gz BACDBJNOGXCUFF-LSDHHAIUSA-N 0 3 376.413 0.612 20 5 GCBDHN CCN1CCN(C[C@@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000189443796 1187942019 /nfs/dbraw/zinc/94/20/19/1187942019.db2.gz YASOGWSAYRGZDD-ZDUSSCGKSA-N 0 3 385.490 0.928 20 5 GCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417288187 1189640648 /nfs/dbraw/zinc/64/06/48/1189640648.db2.gz XXWBOOOYMUXIEW-NWDGAFQWSA-N 0 3 385.446 0.265 20 5 GCBDHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482621 1189669645 /nfs/dbraw/zinc/66/96/45/1189669645.db2.gz VQHAPFLHBMIIHJ-PBHICJAKSA-N 0 3 380.401 0.301 20 5 GCBDHN C[C@@H]1NCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417674844 1189695536 /nfs/dbraw/zinc/69/55/36/1189695536.db2.gz AXOZZBWUOBBEHE-RYUDHWBXSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348764 1193843089 /nfs/dbraw/zinc/84/30/89/1193843089.db2.gz LORXKPRICALBQU-NOZJJQNGSA-N 0 3 390.400 0.317 20 5 GCBDHN CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000266020546 1193919530 /nfs/dbraw/zinc/91/95/30/1193919530.db2.gz XCDHKASUULFQON-GFCCVEGCSA-N 0 3 399.473 0.597 20 5 GCBDHN N[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000419936449 1194145418 /nfs/dbraw/zinc/14/54/18/1194145418.db2.gz UHTOEIMUVULSAL-HNNXBMFYSA-N 0 3 398.423 0.455 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052275 1194170434 /nfs/dbraw/zinc/17/04/34/1194170434.db2.gz FKVLDTURGPGJBF-DOMZBBRYSA-N 0 3 378.429 0.825 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420473060 1194231226 /nfs/dbraw/zinc/23/12/26/1194231226.db2.gz CPTZXWXVLXWSQE-AWEZNQCLSA-N 0 3 380.430 0.979 20 5 GCBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502815574 1194358967 /nfs/dbraw/zinc/35/89/67/1194358967.db2.gz VLRRIGROTCIMNR-CYBMUJFWSA-N 0 3 399.473 0.609 20 5 GCBDHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000503632463 1194702068 /nfs/dbraw/zinc/70/20/68/1194702068.db2.gz XXBYEIZURXQSST-UHFFFAOYSA-N 0 3 389.412 0.300 20 5 GCBDHN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991955 1194797259 /nfs/dbraw/zinc/79/72/59/1194797259.db2.gz NIDVPSYXYDULMX-GJZGRUSLSA-N 0 3 396.469 0.551 20 5 GCBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423998455 1194797999 /nfs/dbraw/zinc/79/79/99/1194797999.db2.gz ZPRIJJMVJWOEJY-GDBMZVCRSA-N 0 3 376.413 0.612 20 5 GCBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 ZINC000515346886 1194969492 /nfs/dbraw/zinc/96/94/92/1194969492.db2.gz DHOIGMWZFKWZJE-KRWDZBQOSA-N 0 3 388.428 0.091 20 5 GCBDHN COc1ccc(NC(=O)CCN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000518797536 1195334683 /nfs/dbraw/zinc/33/46/83/1195334683.db2.gz XGFQCYBLCLTJPY-DGCLKSJQSA-N 0 3 377.401 0.176 20 5 GCBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000440077363 1195382387 /nfs/dbraw/zinc/38/23/87/1195382387.db2.gz VZYYZXGAVNYSSS-ZDUSSCGKSA-N 0 3 386.474 0.908 20 5 GCBDHN C[C@H]1CN(CCC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000427293053 1195524397 /nfs/dbraw/zinc/52/43/97/1195524397.db2.gz XEFUWJZMFRJYBH-KBPBESRZSA-N 0 3 380.449 0.924 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000543693232 1195525167 /nfs/dbraw/zinc/52/51/67/1195525167.db2.gz PXTQKYRBPICGRU-UHFFFAOYSA-N 0 3 399.473 0.233 20 5 GCBDHN COC(=O)COc1ccc(CNC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991591 1195772752 /nfs/dbraw/zinc/77/27/52/1195772752.db2.gz RVJLZUCATGRONF-CZUORRHYSA-N 0 3 395.412 0.872 20 5 GCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCNS(=O)(=O)c2cccnc2)c1 ZINC000574868936 1195836238 /nfs/dbraw/zinc/83/62/38/1195836238.db2.gz FCQVNLLVNIMLIE-AWEZNQCLSA-N 0 3 396.425 0.298 20 5 GCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000151624992 1196063662 /nfs/dbraw/zinc/06/36/62/1196063662.db2.gz NTBWPWRBNAHVQG-CQSZACIVSA-N 0 3 386.412 0.574 20 5 GCBDHN Cc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929474 1196607603 /nfs/dbraw/zinc/60/76/03/1196607603.db2.gz QYTBRUPVAICFBS-ONGXEEELSA-N 0 3 382.442 0.906 20 5 GCBDHN Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531292241 1197063283 /nfs/dbraw/zinc/06/32/83/1197063283.db2.gz HZQCNPQKXIOMFQ-LBPRGKRZSA-N 0 3 382.442 0.861 20 5 GCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452802599 1197083246 /nfs/dbraw/zinc/08/32/46/1197083246.db2.gz VOLCIQYXYXEJCF-CJNGLKHVSA-N 0 3 378.429 0.676 20 5 GCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000452800288 1197083348 /nfs/dbraw/zinc/08/33/48/1197083348.db2.gz VGHKOCMWUSWXAG-OAHLLOKOSA-N 0 3 393.444 0.357 20 5 GCBDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)C[C@@H]21 ZINC000453917290 1197154918 /nfs/dbraw/zinc/15/49/18/1197154918.db2.gz MBAWMMMXUPGJPS-RISCZKNCSA-N 0 3 390.396 0.857 20 5 GCBDHN Cn1nnc2cc(CNCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000532479591 1197316212 /nfs/dbraw/zinc/31/62/12/1197316212.db2.gz JXJGRPNEBYEYJN-UHFFFAOYSA-N 0 3 390.425 0.945 20 5 GCBDHN CC(C)(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429738534 1197404124 /nfs/dbraw/zinc/40/41/24/1197404124.db2.gz OUDGMFGIWGUFCZ-CQSZACIVSA-N 0 3 384.458 0.801 20 5 GCBDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743736 1197404531 /nfs/dbraw/zinc/40/45/31/1197404531.db2.gz LYGMWDLXDZMOFJ-WFASDCNBSA-N 0 3 384.458 0.801 20 5 GCBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743730 1197404622 /nfs/dbraw/zinc/40/46/22/1197404622.db2.gz LYGMWDLXDZMOFJ-DOMZBBRYSA-N 0 3 384.458 0.801 20 5 GCBDHN CCCc1[nH]nc(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1[N+](=O)[O-] ZINC000428631123 1197558800 /nfs/dbraw/zinc/55/88/00/1197558800.db2.gz QEKFSVKSJXDFHM-LBPRGKRZSA-N 0 3 378.433 0.554 20 5 GCBDHN NS(=O)(=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000553836288 1199006906 /nfs/dbraw/zinc/00/69/06/1199006906.db2.gz LPUPPPYQJOTTCB-CQSZACIVSA-N 0 3 381.410 0.772 20 5 GCBDHN CC(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000273463642 1199011077 /nfs/dbraw/zinc/01/10/77/1199011077.db2.gz IRJKUHOBZKGINR-CQSZACIVSA-N 0 3 385.490 0.926 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@@H](O)COc1ccccc1 ZINC000028264935 1199924172 /nfs/dbraw/zinc/92/41/72/1199924172.db2.gz VHNGHZTWDQVQQH-CQSZACIVSA-N 0 3 395.437 0.903 20 5 GCBDHN NC(=O)C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491565 1199960571 /nfs/dbraw/zinc/96/05/71/1199960571.db2.gz OBWGTOMBJSHFJK-JKSUJKDBSA-N 0 3 376.413 0.960 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000808270080 1205604460 /nfs/dbraw/zinc/60/44/60/1205604460.db2.gz RJFLPWSXSWUOIO-ZDUSSCGKSA-N 0 3 379.417 0.086 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1=O ZINC000808269612 1205604564 /nfs/dbraw/zinc/60/45/64/1205604564.db2.gz KRLOLGYWOJHLEX-LBPRGKRZSA-N 0 3 379.417 0.086 20 5 GCBDHN COC(=O)C(C(=O)OC)c1ncc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170568815 1205617983 /nfs/dbraw/zinc/61/79/83/1205617983.db2.gz PMRSKLIYFGDKKH-SKDRFNHKSA-N 0 3 382.373 0.208 20 5 GCBDHN COC(=O)C(C(=O)OC)c1ncc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170568813 1205618029 /nfs/dbraw/zinc/61/80/29/1205618029.db2.gz PMRSKLIYFGDKKH-JOYOIKCWSA-N 0 3 382.373 0.208 20 5 GCBDHN CC(COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813109927 1205673223 /nfs/dbraw/zinc/67/32/23/1205673223.db2.gz QKYBDTIUFHJCTM-LLVKDONJSA-N 0 3 388.398 0.725 20 5 GCBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813113299 1205673239 /nfs/dbraw/zinc/67/32/39/1205673239.db2.gz PDXSKAKPIFZEIR-FJUBQESYSA-N 0 3 375.381 0.998 20 5 GCBDHN COc1ccc(NC(=O)CCN(CC(N)=O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001175783476 1205741079 /nfs/dbraw/zinc/74/10/79/1205741079.db2.gz SMZACDHKOMDTTF-UHFFFAOYSA-N 0 3 380.401 0.898 20 5 GCBDHN COc1ccc(OCCN2CCC3(CC2)C[C@H](O)CNC3=O)c([N+](=O)[O-])c1 ZINC001176719004 1205753020 /nfs/dbraw/zinc/75/30/20/1205753020.db2.gz RATKDLFCBRMCTO-ZDUSSCGKSA-N 0 3 379.413 0.945 20 5 GCBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164684426 719702938 /nfs/dbraw/zinc/70/29/38/719702938.db2.gz PNPADZPQEVILDI-UHFFFAOYSA-N 0 3 391.428 0.957 20 5 GCBDHN CNC(=O)CN1CCCC12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2 ZINC001164685491 719717691 /nfs/dbraw/zinc/71/76/91/719717691.db2.gz LQWAARVAFDETPJ-UHFFFAOYSA-N 0 3 378.433 0.883 20 5 GCBDHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000580182814 530323433 /nfs/dbraw/zinc/32/34/33/530323433.db2.gz GYPRBXKKDPRDTH-LBPRGKRZSA-N 0 3 389.459 0.090 20 5 GCBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563441484 530349266 /nfs/dbraw/zinc/34/92/66/530349266.db2.gz LTHOVLZULHSCGD-BXKDBHETSA-N 0 3 388.833 0.489 20 5 GCBDHN COCCNCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440833803 530695238 /nfs/dbraw/zinc/69/52/38/530695238.db2.gz PTQQDFJAQVHNAS-UHFFFAOYSA-N 0 3 382.236 0.872 20 5 GCBDHN CC(C)(C)NS(=O)(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591725167 530726923 /nfs/dbraw/zinc/72/69/23/530726923.db2.gz FQWKXTMWDONAOP-CYBMUJFWSA-N 0 3 375.447 0.642 20 5 GCBDHN CCn1cc(S(=O)(=O)N2CCC(OCCN(C)C)CC2)c([N+](=O)[O-])n1 ZINC000533175175 530900705 /nfs/dbraw/zinc/90/07/05/530900705.db2.gz ITAWOHALQLJQBF-UHFFFAOYSA-N 0 3 375.451 0.543 20 5 GCBDHN [NH3+]CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000423732625 530887669 /nfs/dbraw/zinc/88/76/69/530887669.db2.gz AUMFNMBKGVEOAI-JTQLQIEISA-N 0 3 384.336 0.269 20 5 GCBDHN C[C@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736145890 598502155 /nfs/dbraw/zinc/50/21/55/598502155.db2.gz DJPUTMJTRMRYEH-NSHDSACASA-N 0 3 376.421 0.699 20 5 GCBDHN C[C@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736145890 598502156 /nfs/dbraw/zinc/50/21/56/598502156.db2.gz DJPUTMJTRMRYEH-NSHDSACASA-N 0 3 376.421 0.699 20 5 GCBDHN COc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1[N+](=O)[O-] ZINC000737092160 598526165 /nfs/dbraw/zinc/52/61/65/598526165.db2.gz KLXCDYSRUCKKEH-NSHDSACASA-N 0 3 385.388 0.812 20 5 GCBDHN COc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000737092160 598526167 /nfs/dbraw/zinc/52/61/67/598526167.db2.gz KLXCDYSRUCKKEH-NSHDSACASA-N 0 3 385.388 0.812 20 5 GCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000825000326 608151206 /nfs/dbraw/zinc/15/12/06/608151206.db2.gz ONRLLRNDLQQTPQ-SWLSCSKDSA-N 0 3 387.448 0.632 20 5 GCBDHN CN(CCO)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000899736615 639273676 /nfs/dbraw/zinc/27/36/76/639273676.db2.gz MUBFYEMBQZAXEE-UHFFFAOYSA-N 0 3 393.181 0.853 20 5 GCBDHN COc1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813110049 641780266 /nfs/dbraw/zinc/78/02/66/641780266.db2.gz RKGVMQQMBRRWDM-JTQLQIEISA-N 0 3 376.387 0.581 20 5 GCBDHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813111260 641781202 /nfs/dbraw/zinc/78/12/02/641781202.db2.gz FHDXHGOMXWNJCW-SECBINFHSA-N 0 3 375.403 0.901 20 5 GCBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CNCCO2)ccc1Br ZINC000842483169 642337998 /nfs/dbraw/zinc/33/79/98/642337998.db2.gz GCILKULJXSGVSD-MRVPVSSYSA-N 0 3 380.220 0.624 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279101873 1192467050 /nfs/dbraw/zinc/46/70/50/1192467050.db2.gz QZRQFLYGGUVZPB-KRWDZBQOSA-N 0 3 391.384 0.606 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432528355 1192523629 /nfs/dbraw/zinc/52/36/29/1192523629.db2.gz VGCFFIMRLOWLBJ-UHFFFAOYSA-N 0 3 380.445 0.723 20 5 GCBDHN Nc1c(C(=O)NCCCCN2CCN(CCO)CC2)cc(F)cc1[N+](=O)[O-] ZINC000432532270 1192536946 /nfs/dbraw/zinc/53/69/46/1192536946.db2.gz VQXRPGGDRMPTEG-UHFFFAOYSA-N 0 3 383.424 0.436 20 5 GCBDHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000418933663 1192693806 /nfs/dbraw/zinc/69/38/06/1192693806.db2.gz ISVCPGNBIYHDHK-JQWIXIFHSA-N 0 3 380.401 0.449 20 5 GCBDHN CCc1n[nH]c(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110740 1184517908 /nfs/dbraw/zinc/51/79/08/1184517908.db2.gz KNJCNEQBSPZXHV-LLVKDONJSA-N 0 3 387.462 0.461 20 5 GCBDHN CCc1[nH]nc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110740 1184517914 /nfs/dbraw/zinc/51/79/14/1184517914.db2.gz KNJCNEQBSPZXHV-LLVKDONJSA-N 0 3 387.462 0.461 20 5 GCBDHN CN(C)C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275231639 1184560490 /nfs/dbraw/zinc/56/04/90/1184560490.db2.gz JKFAIYSRYMCUDX-CYBMUJFWSA-N 0 3 384.458 0.962 20 5 GCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000263663326 1186456476 /nfs/dbraw/zinc/45/64/76/1186456476.db2.gz DZHWBODEROXXCO-CQSZACIVSA-N 0 3 399.473 0.597 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563440638 1186615858 /nfs/dbraw/zinc/61/58/58/1186615858.db2.gz INZZUJJEDUHWQZ-QWHCGFSZSA-N 0 3 377.401 0.176 20 5 GCBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000728551967 1186792758 /nfs/dbraw/zinc/79/27/58/1186792758.db2.gz VDNHRVAOGPEJIG-UHFFFAOYSA-N 0 3 391.384 0.883 20 5 GCBDHN COCCO[C@@H]1C[C@H](CO)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268266 1186863656 /nfs/dbraw/zinc/86/36/56/1186863656.db2.gz IVMWNBFGZGJFCA-ARFHVFGLSA-N 0 3 384.429 0.680 20 5 GCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCNS(=O)(=O)c2ccccc2)c1 ZINC000583626517 1186903366 /nfs/dbraw/zinc/90/33/66/1186903366.db2.gz VGRQWQWATDAJIB-HNNXBMFYSA-N 0 3 395.437 0.903 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000583702336 1186921415 /nfs/dbraw/zinc/92/14/15/1186921415.db2.gz QGWFZNAYRHIDSL-UHFFFAOYSA-N 0 3 378.433 0.658 20 5 GCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(O)(CN2CCOCC2)CC1 ZINC000364914927 1187471839 /nfs/dbraw/zinc/47/18/39/1187471839.db2.gz GNIVEXGIZMBQOH-MRXNPFEDSA-N 0 3 395.456 0.494 20 5 GCBDHN NCc1cn([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)nn1 ZINC000580073066 1187663854 /nfs/dbraw/zinc/66/38/54/1187663854.db2.gz XXKWSAXBFKONRN-LBPRGKRZSA-N 0 3 388.384 0.894 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000582138116 1187732791 /nfs/dbraw/zinc/73/27/91/1187732791.db2.gz ZGKHOBXJAYEORW-SUMWQHHRSA-N 0 3 380.449 0.400 20 5 GCBDHN Cc1nn(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000103121721 1189410847 /nfs/dbraw/zinc/41/08/47/1189410847.db2.gz VNCFJTPQIRTRBR-UHFFFAOYSA-N 0 3 392.460 0.565 20 5 GCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000378423267 1189503194 /nfs/dbraw/zinc/50/31/94/1189503194.db2.gz AYPHNZLDNVFFPD-QGZVFWFLSA-N 0 3 395.456 0.494 20 5 GCBDHN CN1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000416587572 1189559224 /nfs/dbraw/zinc/55/92/24/1189559224.db2.gz PXZPHKAUSCOBFK-UHFFFAOYSA-N 0 3 398.485 0.670 20 5 GCBDHN C[C@H]1NCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417289322 1189640619 /nfs/dbraw/zinc/64/06/19/1189640619.db2.gz ZVZZYQFVYBPPIF-NEPJUHHUSA-N 0 3 385.446 0.265 20 5 GCBDHN COCCN(C)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482628 1189669504 /nfs/dbraw/zinc/66/95/04/1189669504.db2.gz VQHAPFLHBMIIHJ-WMLDXEAASA-N 0 3 380.401 0.301 20 5 GCBDHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000280519945 1194003187 /nfs/dbraw/zinc/00/31/87/1194003187.db2.gz DUUDMDLEETXGFF-GOSISDBHSA-N 0 3 375.429 0.441 20 5 GCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCNC(=O)CC1 ZINC000420969104 1194279285 /nfs/dbraw/zinc/27/92/85/1194279285.db2.gz AYFGGFXCONBXLV-CYBMUJFWSA-N 0 3 384.458 0.721 20 5 GCBDHN O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823575 1194346949 /nfs/dbraw/zinc/34/69/49/1194346949.db2.gz VSYOINRWITXHEJ-KGLIPLIRSA-N 0 3 394.428 0.755 20 5 GCBDHN O=C(N[C@@H](CO)CN1CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823577 1194347230 /nfs/dbraw/zinc/34/72/30/1194347230.db2.gz VSYOINRWITXHEJ-ZIAGYGMSSA-N 0 3 394.428 0.755 20 5 GCBDHN N[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000422918949 1194710709 /nfs/dbraw/zinc/71/07/09/1194710709.db2.gz JCSRSEIVHQEYTL-HNNXBMFYSA-N 0 3 382.442 0.555 20 5 GCBDHN N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000422919633 1194710859 /nfs/dbraw/zinc/71/08/59/1194710859.db2.gz KOHYSPRYEIZQPT-HNNXBMFYSA-N 0 3 382.442 0.555 20 5 GCBDHN CC1(C)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000423708461 1194787018 /nfs/dbraw/zinc/78/70/18/1194787018.db2.gz MIOJAJJBKZVUJI-HNNXBMFYSA-N 0 3 396.469 0.958 20 5 GCBDHN CCCN(C)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000517347545 1195174445 /nfs/dbraw/zinc/17/44/45/1195174445.db2.gz DHUCJIMZJFRLMY-UHFFFAOYSA-N 0 3 398.485 0.989 20 5 GCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000426957867 1195495268 /nfs/dbraw/zinc/49/52/68/1195495268.db2.gz ZKGHAOJTHIALFH-SFHVURJKSA-N 0 3 388.428 0.728 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000521402689 1195994346 /nfs/dbraw/zinc/99/43/46/1195994346.db2.gz HQRGECKIQZQJQE-UHFFFAOYSA-N 0 3 399.473 0.233 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000474784088 1196149415 /nfs/dbraw/zinc/14/94/15/1196149415.db2.gz OCNNGPVHPSJQBQ-HIFRSBDPSA-N 0 3 395.508 0.969 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000281734322 1196327847 /nfs/dbraw/zinc/32/78/47/1196327847.db2.gz UCBWTPZUJLMBOJ-UHFFFAOYSA-N 0 3 393.444 0.686 20 5 GCBDHN CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000525106751 1196648862 /nfs/dbraw/zinc/64/88/62/1196648862.db2.gz VWLUEOODWYNZIH-CQSZACIVSA-N 0 3 384.458 0.816 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCCN1CCN(C)CC1 ZINC000525335261 1196670773 /nfs/dbraw/zinc/67/07/73/1196670773.db2.gz SEJIIJDRJRAELE-OAHLLOKOSA-N 0 3 395.508 0.971 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCN2CCCOCC2)CC1 ZINC000429709129 1196694548 /nfs/dbraw/zinc/69/45/48/1196694548.db2.gz OXOYTYDJCGQJBF-UHFFFAOYSA-N 0 3 398.485 0.623 20 5 GCBDHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000530810948 1197018033 /nfs/dbraw/zinc/01/80/33/1197018033.db2.gz BANZJHNCXJTSEW-AWEZNQCLSA-N 0 3 390.444 0.049 20 5 GCBDHN NC(=O)c1ccc(SCC(=O)NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000452350869 1197053257 /nfs/dbraw/zinc/05/32/57/1197053257.db2.gz OZRFQATVZRUJED-ZDUSSCGKSA-N 0 3 396.469 0.749 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452383102 1197055961 /nfs/dbraw/zinc/05/59/61/1197055961.db2.gz OFFMNHPYASVXRM-ZIAGYGMSSA-N 0 3 382.465 0.790 20 5 GCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCCN(CCCO)C1 ZINC000452379263 1197058513 /nfs/dbraw/zinc/05/85/13/1197058513.db2.gz ZITZDOJJSXFMIM-ZDUSSCGKSA-N 0 3 392.412 0.283 20 5 GCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396027 1198976150 /nfs/dbraw/zinc/97/61/50/1198976150.db2.gz VQPRSLIZXYXMKP-DOTOQJQBSA-N 0 3 392.456 0.573 20 5 GCBDHN NS(=O)(=O)c1cccc(N2CCN(CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000273481507 1199017458 /nfs/dbraw/zinc/01/74/58/1199017458.db2.gz MNJUVIUPQPXQMA-UHFFFAOYSA-N 0 3 384.458 0.791 20 5 GCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273521765 1199021465 /nfs/dbraw/zinc/02/14/65/1199021465.db2.gz WVPUELISBMDPBD-CYBMUJFWSA-N 0 3 399.473 0.597 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1=O ZINC000425315710 1199562318 /nfs/dbraw/zinc/56/23/18/1199562318.db2.gz KSJUHRPRJGKSBM-ZDUSSCGKSA-N 0 3 394.428 0.512 20 5 GCBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC(CN2CCOCC2)CC1 ZINC000530669731 1199630972 /nfs/dbraw/zinc/63/09/72/1199630972.db2.gz RDOVFWIYEWJGSC-UHFFFAOYSA-N 0 3 384.458 0.791 20 5 GCBDHN COCCN(C)CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265913649 1200334159 /nfs/dbraw/zinc/33/41/59/1200334159.db2.gz LEFDFLXNTFNUBU-UHFFFAOYSA-N 0 3 393.444 0.640 20 5 GCBDHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041719834 1200391430 /nfs/dbraw/zinc/39/14/30/1200391430.db2.gz XJHJIIQAYDDCSG-UHFFFAOYSA-N 0 3 377.445 0.986 20 5 GCBDHN CNc1nccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000594263391 1200736558 /nfs/dbraw/zinc/73/65/58/1200736558.db2.gz ZYBCJZJLBTVBAX-CYBMUJFWSA-N 0 3 376.417 0.586 20 5 GCBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000611242486 1201226150 /nfs/dbraw/zinc/22/61/50/1201226150.db2.gz GLJLNDZYBGJWCW-AWEZNQCLSA-N 0 3 397.457 0.161 20 5 GCBDHN COC(=O)C(C(=O)OC)c1cc(N[C@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170572667 1205619632 /nfs/dbraw/zinc/61/96/32/1205619632.db2.gz HPRVRUJCBWRXMQ-YGRLFVJLSA-N 0 3 381.385 0.813 20 5 GCBDHN O=C(NCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052605 1205817322 /nfs/dbraw/zinc/81/73/22/1205817322.db2.gz BWVQQOZAYHDSCW-JKSUJKDBSA-N 0 3 391.428 0.774 20 5 GCBDHN O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC001181413131 1205842839 /nfs/dbraw/zinc/84/28/39/1205842839.db2.gz JHEDDUGOTOTSQP-YVEFUNNKSA-N 0 3 375.385 0.427 20 5 GCBDHN O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC001181413131 1205842841 /nfs/dbraw/zinc/84/28/41/1205842841.db2.gz JHEDDUGOTOTSQP-YVEFUNNKSA-N 0 3 375.385 0.427 20 5 GCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262342403 530220997 /nfs/dbraw/zinc/22/09/97/530220997.db2.gz SXHFSVVEDGTIMQ-LBPRGKRZSA-N 0 3 382.364 0.709 20 5 GCBDHN O=[N+]([O-])c1cc(CNC2CCN(S(=O)(=O)N3CCOCC3)CC2)cs1 ZINC000363182241 530271620 /nfs/dbraw/zinc/27/16/20/530271620.db2.gz SNQLPTMGCFCOON-UHFFFAOYSA-N 0 3 390.487 0.787 20 5 GCBDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570718712 530323779 /nfs/dbraw/zinc/32/37/79/530323779.db2.gz AAWLQYMNJNUBIV-NSHDSACASA-N 0 3 393.263 0.539 20 5 GCBDHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000583262612 530352634 /nfs/dbraw/zinc/35/26/34/530352634.db2.gz ASXWIZBKVJSHIN-SNVBAGLBSA-N 0 3 393.263 0.539 20 5 GCBDHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522000909 530851376 /nfs/dbraw/zinc/85/13/76/530851376.db2.gz YZBFIJJQQRNFLK-SNVBAGLBSA-N 0 3 382.364 0.796 20 5 GCBDHN Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000420484220 530870545 /nfs/dbraw/zinc/87/05/45/530870545.db2.gz XOPCIZGVBAJLKU-VIFPVBQESA-N 0 3 394.247 0.932 20 5 GCBDHN O=C(C[C@@H]1CSCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262828934 531072954 /nfs/dbraw/zinc/07/29/54/531072954.db2.gz UOXRODCMOPDMBA-LLVKDONJSA-N 0 3 388.471 0.084 20 5 GCBDHN Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1C1CC[NH2+]CC1 ZINC000737592376 599266931 /nfs/dbraw/zinc/26/69/31/599266931.db2.gz NJUHRNLCHOUIFD-UHFFFAOYSA-N 0 3 388.417 0.917 20 5 GCBDHN Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000737594073 599267017 /nfs/dbraw/zinc/26/70/17/599267017.db2.gz VZOSYBPULFBWBK-MRVPVSSYSA-N 0 3 388.417 0.917 20 5 GCBDHN C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824999954 608151154 /nfs/dbraw/zinc/15/11/54/608151154.db2.gz LFOQHXURBSNTPF-TZMCWYRMSA-N 0 3 387.448 0.632 20 5 GCBDHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768839104 640762174 /nfs/dbraw/zinc/76/21/74/640762174.db2.gz NNYHWUAXWKBABB-SNVBAGLBSA-N 0 3 376.460 0.522 20 5 GCBDHN CS(=O)(=O)N1CCN(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783620476 641272184 /nfs/dbraw/zinc/27/21/84/641272184.db2.gz LHTMAVLTHCOOAM-UHFFFAOYSA-N 0 3 376.866 0.915 20 5 GCBDHN Cc1c(NC(=O)CCN2CCC[C@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000279145342 1192473480 /nfs/dbraw/zinc/47/34/80/1192473480.db2.gz YALPPJACZNDMAB-QGZVFWFLSA-N 0 3 375.385 0.906 20 5 GCBDHN O=C(NC[C@@H]1CNCCO1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418773781 1192641624 /nfs/dbraw/zinc/64/16/24/1192641624.db2.gz URERXUOZLMCMDZ-ZDUSSCGKSA-N 0 3 377.401 0.051 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000512389589 1192643078 /nfs/dbraw/zinc/64/30/78/1192643078.db2.gz OGCPKQHTLMVWRI-ZIAGYGMSSA-N 0 3 382.465 0.790 20 5 GCBDHN COc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000418933662 1192694142 /nfs/dbraw/zinc/69/41/42/1192694142.db2.gz ISVCPGNBIYHDHK-CMPLNLGQSA-N 0 3 380.401 0.449 20 5 GCBDHN NCc1cn([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)nn1 ZINC000580073065 1185046951 /nfs/dbraw/zinc/04/69/51/1185046951.db2.gz XXKWSAXBFKONRN-GFCCVEGCSA-N 0 3 388.384 0.894 20 5 GCBDHN N[C@@H]1C[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658583 1185298481 /nfs/dbraw/zinc/29/84/81/1185298481.db2.gz HVEDVTDBVPPMQO-LSDHHAIUSA-N 0 3 375.429 0.175 20 5 GCBDHN N[C@H]1C[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658581 1185298714 /nfs/dbraw/zinc/29/87/14/1185298714.db2.gz HVEDVTDBVPPMQO-GJZGRUSLSA-N 0 3 375.429 0.175 20 5 GCBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581184824 1185526056 /nfs/dbraw/zinc/52/60/56/1185526056.db2.gz XTPGKHWVSQOJGX-HNNXBMFYSA-N 0 3 390.444 0.191 20 5 GCBDHN CN(C(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607401 1185732050 /nfs/dbraw/zinc/73/20/50/1185732050.db2.gz YMXIGAWTXNPWMW-HNNXBMFYSA-N 0 3 389.456 0.701 20 5 GCBDHN NC(=O)c1ccc(CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c([N+](=O)[O-])c1 ZINC000430617864 1185786877 /nfs/dbraw/zinc/78/68/77/1185786877.db2.gz PQHYNEFQVAWCNB-OAHLLOKOSA-N 0 3 375.429 0.338 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430625675 1185809397 /nfs/dbraw/zinc/80/93/97/1185809397.db2.gz KWIIJRAGLCOPIF-HNNXBMFYSA-N 0 3 389.456 0.986 20 5 GCBDHN COC1CCN(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000610573003 1186016081 /nfs/dbraw/zinc/01/60/81/1186016081.db2.gz IEIAUYGOCWGSHA-UHFFFAOYSA-N 0 3 392.412 0.547 20 5 GCBDHN CN1C(=O)C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276902498 1186141417 /nfs/dbraw/zinc/14/14/17/1186141417.db2.gz HXVMVNMOLSYLOU-PVUWLOKVSA-N 0 3 395.366 0.992 20 5 GCBDHN CN1C(=O)C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276902493 1186141895 /nfs/dbraw/zinc/14/18/95/1186141895.db2.gz HXVMVNMOLSYLOU-NUTKFTJISA-N 0 3 395.366 0.992 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000582138113 1186436292 /nfs/dbraw/zinc/43/62/92/1186436292.db2.gz ZGKHOBXJAYEORW-CXAGYDPISA-N 0 3 380.449 0.400 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@]1(O)CN2CCC1CC2 ZINC000583702757 1186921820 /nfs/dbraw/zinc/92/18/20/1186921820.db2.gz CYGCRTNCJWBWAZ-GOSISDBHSA-N 0 3 377.397 0.481 20 5 GCBDHN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388878 1186925421 /nfs/dbraw/zinc/92/54/21/1186925421.db2.gz VBIFQMCUSOAQNO-QILLFSRXSA-N 0 3 384.429 0.680 20 5 GCBDHN COC(=O)[C@@H]1CN(C)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000411922818 1187532365 /nfs/dbraw/zinc/53/23/65/1187532365.db2.gz VCZKWFNEKMNLPY-CYBMUJFWSA-N 0 3 392.412 0.929 20 5 GCBDHN Cc1ccc(NCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000581619482 1187717296 /nfs/dbraw/zinc/71/72/96/1187717296.db2.gz YCXOAHYXCQSKOJ-UONOGXRCSA-N 0 3 390.444 0.659 20 5 GCBDHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174769685 1187763824 /nfs/dbraw/zinc/76/38/24/1187763824.db2.gz LUXMYMRFIPXXAW-AWEZNQCLSA-N 0 3 377.445 0.923 20 5 GCBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000472603727 1187874467 /nfs/dbraw/zinc/87/44/67/1187874467.db2.gz XWIUVTJDWMPLDJ-GFCCVEGCSA-N 0 3 381.408 0.672 20 5 GCBDHN Cc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189764191 1187958739 /nfs/dbraw/zinc/95/87/39/1187958739.db2.gz WNUJGCSVZUBUTA-UHFFFAOYSA-N 0 3 377.445 0.938 20 5 GCBDHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000103151317 1189412376 /nfs/dbraw/zinc/41/23/76/1189412376.db2.gz PYZMTRIYGXEECO-UHFFFAOYSA-N 0 3 375.429 0.773 20 5 GCBDHN COCC(COC)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000412434967 1189604834 /nfs/dbraw/zinc/60/48/34/1189604834.db2.gz KFVFRDCNLSIZOK-UHFFFAOYSA-N 0 3 377.401 0.890 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947006 1189774289 /nfs/dbraw/zinc/77/42/89/1189774289.db2.gz HUKNNKCOFNLQPD-LSDHHAIUSA-N 0 3 391.472 0.855 20 5 GCBDHN CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC000420471455 1194230691 /nfs/dbraw/zinc/23/06/91/1194230691.db2.gz AQHYZTGXBJBJLN-NSHDSACASA-N 0 3 387.414 0.347 20 5 GCBDHN O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823574 1194347339 /nfs/dbraw/zinc/34/73/39/1194347339.db2.gz VSYOINRWITXHEJ-KBPBESRZSA-N 0 3 394.428 0.755 20 5 GCBDHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041718636 1194701331 /nfs/dbraw/zinc/70/13/31/1194701331.db2.gz XDASWIKDHIERKC-UHFFFAOYSA-N 0 3 383.836 0.940 20 5 GCBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000425057682 1194836937 /nfs/dbraw/zinc/83/69/37/1194836937.db2.gz MXDJFTHNNUBZHG-XHDPSFHLSA-N 0 3 382.442 0.717 20 5 GCBDHN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000517403053 1195177257 /nfs/dbraw/zinc/17/72/57/1195177257.db2.gz PGQPGAVTGFTGPE-GFCCVEGCSA-N 0 3 382.442 0.616 20 5 GCBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000147487199 1195635357 /nfs/dbraw/zinc/63/53/57/1195635357.db2.gz STGFZXBSGDBALY-UHFFFAOYSA-N 0 3 398.485 0.756 20 5 GCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCNS(=O)(=O)c2cccnc2)c1 ZINC000574868937 1195835916 /nfs/dbraw/zinc/83/59/16/1195835916.db2.gz FCQVNLLVNIMLIE-CQSZACIVSA-N 0 3 396.425 0.298 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000474784090 1196149569 /nfs/dbraw/zinc/14/95/69/1196149569.db2.gz OCNNGPVHPSJQBQ-ZFWWWQNUSA-N 0 3 395.508 0.969 20 5 GCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281762519 1196329584 /nfs/dbraw/zinc/32/95/84/1196329584.db2.gz LNGFYWHQXSMWNR-CQSZACIVSA-N 0 3 391.472 0.855 20 5 GCBDHN CN(CC(=O)N[C@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523127854 1196491905 /nfs/dbraw/zinc/49/19/05/1196491905.db2.gz JOPCHAWEGLNPGV-LBPRGKRZSA-N 0 3 382.442 0.568 20 5 GCBDHN Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929468 1196607826 /nfs/dbraw/zinc/60/78/26/1196607826.db2.gz QYTBRUPVAICFBS-KOLCDFICSA-N 0 3 382.442 0.906 20 5 GCBDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000527385332 1196782438 /nfs/dbraw/zinc/78/24/38/1196782438.db2.gz HKTRUZATASHLBZ-ZDUSSCGKSA-N 0 3 386.474 0.908 20 5 GCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000449144841 1196857818 /nfs/dbraw/zinc/85/78/18/1196857818.db2.gz UXHJZYNCFBIRKT-FRFSOERESA-N 0 3 383.470 0.613 20 5 GCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000449144842 1196857948 /nfs/dbraw/zinc/85/79/48/1196857948.db2.gz UXHJZYNCFBIRKT-KMFMINBZSA-N 0 3 383.470 0.613 20 5 GCBDHN CCN1CCN(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000530811850 1197018271 /nfs/dbraw/zinc/01/82/71/1197018271.db2.gz ZZEJPPVGBWLQGE-UHFFFAOYSA-N 0 3 376.461 0.666 20 5 GCBDHN NC(=O)c1ccc(SCC(=O)NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000452350868 1197053704 /nfs/dbraw/zinc/05/37/04/1197053704.db2.gz OZRFQATVZRUJED-CYBMUJFWSA-N 0 3 396.469 0.749 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452383099 1197055318 /nfs/dbraw/zinc/05/53/18/1197055318.db2.gz OFFMNHPYASVXRM-KGLIPLIRSA-N 0 3 382.465 0.790 20 5 GCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCCN(CCCO)C1 ZINC000452379262 1197058904 /nfs/dbraw/zinc/05/89/04/1197058904.db2.gz ZITZDOJJSXFMIM-CYBMUJFWSA-N 0 3 392.412 0.283 20 5 GCBDHN CN1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520058693 1197059328 /nfs/dbraw/zinc/05/93/28/1197059328.db2.gz UALQTJCUGQWFHZ-UHFFFAOYSA-N 0 3 385.446 0.220 20 5 GCBDHN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000452577005 1197070181 /nfs/dbraw/zinc/07/01/81/1197070181.db2.gz HMQHFSNMKNSCEQ-LLVKDONJSA-N 0 3 382.442 0.799 20 5 GCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452793812 1197081957 /nfs/dbraw/zinc/08/19/57/1197081957.db2.gz HYVIXHRDQOTIPT-DZGCQCFKSA-N 0 3 378.429 0.676 20 5 GCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452793816 1197082082 /nfs/dbraw/zinc/08/20/82/1197082082.db2.gz HYVIXHRDQOTIPT-ZFWWWQNUSA-N 0 3 378.429 0.676 20 5 GCBDHN CCN1CCN(CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000509130017 1199935337 /nfs/dbraw/zinc/93/53/37/1199935337.db2.gz PPKKCPPAVQOMFA-UHFFFAOYSA-N 0 3 397.863 0.732 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000543496873 1199963114 /nfs/dbraw/zinc/96/31/14/1199963114.db2.gz NEDBGIQFWBJSGO-CQSZACIVSA-N 0 3 380.401 0.802 20 5 GCBDHN CN1CCN(Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 ZINC000132651214 1199990328 /nfs/dbraw/zinc/99/03/28/1199990328.db2.gz RQRNOUTWCUCMRN-UHFFFAOYSA-N 0 3 399.451 0.820 20 5 GCBDHN CN(CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173058583 1200306895 /nfs/dbraw/zinc/30/68/95/1200306895.db2.gz QKIGRBOXEAYDQD-UHFFFAOYSA-N 0 3 389.456 0.798 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041640298 1200388591 /nfs/dbraw/zinc/38/85/91/1200388591.db2.gz MTFVTDRBOASGEX-AWEZNQCLSA-N 0 3 377.445 0.984 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041640660 1200388704 /nfs/dbraw/zinc/38/87/04/1200388704.db2.gz OPLYSFJMYRQPLY-CYBMUJFWSA-N 0 3 377.445 0.984 20 5 GCBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCCN1CCN(C)CC1 ZINC000731598073 1201489604 /nfs/dbraw/zinc/48/96/04/1201489604.db2.gz LOUJGANPNSEPKQ-UHFFFAOYSA-N 0 3 394.428 0.548 20 5 GCBDHN COC(=O)C(C(=O)OC)c1cc(N[C@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170572660 1205619618 /nfs/dbraw/zinc/61/96/18/1205619618.db2.gz HPRVRUJCBWRXMQ-QMTHXVAHSA-N 0 3 381.385 0.813 20 5 GCBDHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107512 1205673219 /nfs/dbraw/zinc/67/32/19/1205673219.db2.gz RQXWOJJLVUXQTE-LLVKDONJSA-N 0 3 388.398 0.538 20 5 GCBDHN O=Cc1ccc(OCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001180054465 1205817399 /nfs/dbraw/zinc/81/73/99/1205817399.db2.gz NUJJDUBNTWRHNV-LSDHHAIUSA-N 0 3 377.397 0.844 20 5 GCBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC(N[C@@H]2CCOC2)C1 ZINC001184371956 1205908996 /nfs/dbraw/zinc/90/89/96/1205908996.db2.gz ZVFXSROEPVBHQN-CYBMUJFWSA-N 0 3 376.413 0.634 20 5 GCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732849 530194224 /nfs/dbraw/zinc/19/42/24/530194224.db2.gz DWEABQWQDHFTLC-GXSJLCMTSA-N 0 3 383.202 0.741 20 5 GCBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000579115247 530176878 /nfs/dbraw/zinc/17/68/78/530176878.db2.gz LMKBVKJPPNMZLV-UHFFFAOYSA-N 0 3 382.364 0.797 20 5 GCBDHN CC(C)(C)NS(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573199497 530295477 /nfs/dbraw/zinc/29/54/77/530295477.db2.gz ZWXRWBIMTBZDKQ-GFCCVEGCSA-N 0 3 375.447 0.642 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](CN)C1 ZINC000567986984 530477007 /nfs/dbraw/zinc/47/70/07/530477007.db2.gz LCKOBPTXHUOFNI-JTQLQIEISA-N 0 3 393.263 0.621 20 5 GCBDHN CCS(=O)(=O)N(C)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570963710 530505043 /nfs/dbraw/zinc/50/50/43/530505043.db2.gz NVNMJAIWBQZAKM-UHFFFAOYSA-N 0 3 393.487 0.630 20 5 GCBDHN Cc1c(C(=O)N[C@H]2CNCCC2(F)F)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000563161495 530507069 /nfs/dbraw/zinc/50/70/69/530507069.db2.gz WIWYLBZMLAJOSS-NSHDSACASA-N 0 3 378.357 0.278 20 5 GCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000590370352 530678507 /nfs/dbraw/zinc/67/85/07/530678507.db2.gz XYCDDBLIUAOSMO-QMMMGPOBSA-N 0 3 393.181 0.852 20 5 GCBDHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592393237 530766230 /nfs/dbraw/zinc/76/62/30/530766230.db2.gz ZXXUJPJWGCXWGM-SNVBAGLBSA-N 0 3 382.364 0.796 20 5 GCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1I ZINC000423994040 530887679 /nfs/dbraw/zinc/88/76/79/530887679.db2.gz RSWPMYBBSDPERS-VIFPVBQESA-N 0 3 391.165 0.918 20 5 GCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269775800 530925874 /nfs/dbraw/zinc/92/58/74/530925874.db2.gz RPDYTNSQBFSCMD-GFCCVEGCSA-N 0 3 396.263 0.948 20 5 GCBDHN COc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1[N+](=O)[O-] ZINC000737092158 598526377 /nfs/dbraw/zinc/52/63/77/598526377.db2.gz KLXCDYSRUCKKEH-LLVKDONJSA-N 0 3 385.388 0.812 20 5 GCBDHN COc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000737092158 598526379 /nfs/dbraw/zinc/52/63/79/598526379.db2.gz KLXCDYSRUCKKEH-LLVKDONJSA-N 0 3 385.388 0.812 20 5 GCBDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])s2)c1-c1nnn[n-]1 ZINC000826083536 608019909 /nfs/dbraw/zinc/01/99/09/608019909.db2.gz MEGIQDOYLMNZCE-UHFFFAOYSA-N 0 3 377.390 0.964 20 5 GCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000825000325 608150972 /nfs/dbraw/zinc/15/09/72/608150972.db2.gz ONRLLRNDLQQTPQ-IUODEOHRSA-N 0 3 387.448 0.632 20 5 GCBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000899732981 639274884 /nfs/dbraw/zinc/27/48/84/639274884.db2.gz QJIRMUGILKMBPT-UHFFFAOYSA-N 0 3 393.181 0.853 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1Br ZINC000842483701 642338010 /nfs/dbraw/zinc/33/80/10/642338010.db2.gz QJBAZJWBQSHROU-MRVPVSSYSA-N 0 3 380.220 0.624 20 5 GCBDHN CCN1CCN(CCNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000278935621 1192391371 /nfs/dbraw/zinc/39/13/71/1192391371.db2.gz XWGKXASPFPPNKM-UHFFFAOYSA-N 0 3 390.437 0.658 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718771 1192396949 /nfs/dbraw/zinc/39/69/49/1192396949.db2.gz XMHZTODFECCOFE-ROUUACIJSA-N 0 3 376.413 0.806 20 5 GCBDHN COc1cc(CCNC(=O)C(=O)N2CCCNCC2)c([N+](=O)[O-])cc1OC ZINC000419031964 1192731403 /nfs/dbraw/zinc/73/14/03/1192731403.db2.gz VHQVMVGGVKZEBZ-UHFFFAOYSA-N 0 3 380.401 0.093 20 5 GCBDHN CN1C[C@H]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893939969 1192880503 /nfs/dbraw/zinc/88/05/03/1192880503.db2.gz LHCFZRRTINPVDZ-DYVFJYSZSA-N 0 3 396.469 0.756 20 5 GCBDHN COc1ccc(NC(=O)CSc2nnnn2CCN(C)C)c([N+](=O)[O-])c1 ZINC000510073366 1184228114 /nfs/dbraw/zinc/22/81/14/1184228114.db2.gz RZPMQIIMEKLIBO-UHFFFAOYSA-N 0 3 381.418 0.882 20 5 GCBDHN COCCNCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000580951107 1185441983 /nfs/dbraw/zinc/44/19/83/1185441983.db2.gz UZQNYYBVWKHYFN-UHFFFAOYSA-N 0 3 376.417 0.746 20 5 GCBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000187387306 1185507277 /nfs/dbraw/zinc/50/72/77/1185507277.db2.gz QNAPDPNJSYNWLR-AWEZNQCLSA-N 0 3 377.445 0.984 20 5 GCBDHN NS(=O)(=O)c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489231 1185554131 /nfs/dbraw/zinc/55/41/31/1185554131.db2.gz RCMAOEFRGCRNEJ-CYBMUJFWSA-N 0 3 384.458 0.933 20 5 GCBDHN COC1CCN(CCNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610571673 1185689877 /nfs/dbraw/zinc/68/98/77/1185689877.db2.gz TZBYBPQDJCREQO-CYBMUJFWSA-N 0 3 378.429 0.940 20 5 GCBDHN CN(C(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607404 1185732386 /nfs/dbraw/zinc/73/23/86/1185732386.db2.gz YMXIGAWTXNPWMW-OAHLLOKOSA-N 0 3 389.456 0.701 20 5 GCBDHN COC1CCN(CCNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610571674 1186014177 /nfs/dbraw/zinc/01/41/77/1186014177.db2.gz TZBYBPQDJCREQO-ZDUSSCGKSA-N 0 3 378.429 0.940 20 5 GCBDHN CC(C)NS(=O)(=O)NCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000277097995 1186238821 /nfs/dbraw/zinc/23/88/21/1186238821.db2.gz VZZKSZLWLQGPMP-UHFFFAOYSA-N 0 3 396.473 0.917 20 5 GCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000263688333 1186463125 /nfs/dbraw/zinc/46/31/25/1186463125.db2.gz IHHYKBCXODRZFX-CYBMUJFWSA-N 0 3 381.408 0.989 20 5 GCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000263703069 1186466407 /nfs/dbraw/zinc/46/64/07/1186466407.db2.gz OYJIDTXLBQTMRZ-AWEZNQCLSA-N 0 3 380.449 0.549 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563440639 1186616106 /nfs/dbraw/zinc/61/61/06/1186616106.db2.gz INZZUJJEDUHWQZ-STQMWFEESA-N 0 3 377.401 0.176 20 5 GCBDHN Cn1cnnc1Sc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000583625770 1186903360 /nfs/dbraw/zinc/90/33/60/1186903360.db2.gz KORTXGMEJTXAAI-LLVKDONJSA-N 0 3 378.414 0.593 20 5 GCBDHN C[C@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1=CCN(C)CC1 ZINC000584140610 1187004832 /nfs/dbraw/zinc/00/48/32/1187004832.db2.gz PDIHTSPZZHATED-ZDUSSCGKSA-N 0 3 390.444 0.721 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472556501 1187767140 /nfs/dbraw/zinc/76/71/40/1187767140.db2.gz BRGXYEQBYUYEOJ-LBPRGKRZSA-N 0 3 381.408 0.815 20 5 GCBDHN CN1CCN(CCCCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000549097248 1187927094 /nfs/dbraw/zinc/92/70/94/1187927094.db2.gz ARJXDLRSRBIGHX-UHFFFAOYSA-N 0 3 398.485 0.756 20 5 GCBDHN CCN1CCN(C[C@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000189443815 1187942226 /nfs/dbraw/zinc/94/22/26/1187942226.db2.gz YASOGWSAYRGZDD-CYBMUJFWSA-N 0 3 385.490 0.928 20 5 GCBDHN C[C@@H]1CN(C[C@H](O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000122268164 1188005836 /nfs/dbraw/zinc/00/58/36/1188005836.db2.gz XOEWUWNKYGXJFC-PNBKFKSVSA-N 0 3 379.461 0.946 20 5 GCBDHN CCOc1cc(NC(=O)C(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OCC ZINC000415866100 1189391184 /nfs/dbraw/zinc/39/11/84/1189391184.db2.gz NTXIDVIKAUAFDN-NSHDSACASA-N 0 3 396.400 0.435 20 5 GCBDHN C[C@@H]1NCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417289324 1189640909 /nfs/dbraw/zinc/64/09/09/1189640909.db2.gz ZVZZYQFVYBPPIF-RYUDHWBXSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@H]1NCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000417674847 1189695428 /nfs/dbraw/zinc/69/54/28/1189695428.db2.gz AXOZZBWUOBBEHE-VXGBXAGGSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348767 1193842915 /nfs/dbraw/zinc/84/29/15/1193842915.db2.gz LORXKPRICALBQU-ZANVPECISA-N 0 3 390.400 0.317 20 5 GCBDHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000419459224 1194033921 /nfs/dbraw/zinc/03/39/21/1194033921.db2.gz CSDBSXWITCDZRY-INIZCTEOSA-N 0 3 388.428 0.847 20 5 GCBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000366388262 1194035234 /nfs/dbraw/zinc/03/52/34/1194035234.db2.gz FINZNEAANYLWQU-OAHLLOKOSA-N 0 3 379.465 0.601 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052286 1194170317 /nfs/dbraw/zinc/17/03/17/1194170317.db2.gz FKVLDTURGPGJBF-WFASDCNBSA-N 0 3 378.429 0.825 20 5 GCBDHN CC(C)[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000421985783 1194375521 /nfs/dbraw/zinc/37/55/21/1194375521.db2.gz JTGDVYGRPZPYLK-HNNXBMFYSA-N 0 3 386.474 0.918 20 5 GCBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000422100761 1194385403 /nfs/dbraw/zinc/38/54/03/1194385403.db2.gz LNUAWEQRODQBET-QGZVFWFLSA-N 0 3 389.456 0.796 20 5 GCBDHN N[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000422919634 1194710922 /nfs/dbraw/zinc/71/09/22/1194710922.db2.gz KOHYSPRYEIZQPT-OAHLLOKOSA-N 0 3 382.442 0.555 20 5 GCBDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520485 1195300701 /nfs/dbraw/zinc/30/07/01/1195300701.db2.gz PXYFLZPYILESKF-UKRRQHHQSA-N 0 3 382.442 0.913 20 5 GCBDHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000518969147 1195352374 /nfs/dbraw/zinc/35/23/74/1195352374.db2.gz BLLISAKWPQFEMH-GFCCVEGCSA-N 0 3 386.430 0.174 20 5 GCBDHN COc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000443291632 1196036460 /nfs/dbraw/zinc/03/64/60/1196036460.db2.gz FXXPFQHWIKFESL-CYBMUJFWSA-N 0 3 387.458 0.975 20 5 GCBDHN O=C(CNC[C@H]1CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000429683328 1196076877 /nfs/dbraw/zinc/07/68/77/1196076877.db2.gz QHPSKHTWTPLNDT-GFCCVEGCSA-N 0 3 382.442 0.709 20 5 GCBDHN CN1CCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1(C)C ZINC000281638505 1196317103 /nfs/dbraw/zinc/31/71/03/1196317103.db2.gz AHJLFDNVOIQBPA-UHFFFAOYSA-N 0 3 387.444 0.931 20 5 GCBDHN CN1CCN(C)CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000897097252 1196392304 /nfs/dbraw/zinc/39/23/04/1196392304.db2.gz LOUUUTBWKFSDPI-UHFFFAOYSA-N 0 3 391.472 0.751 20 5 GCBDHN COc1cccc(C(=O)NCCCCN2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000444345186 1196411729 /nfs/dbraw/zinc/41/17/29/1196411729.db2.gz ZNVHQRXRGJMGFB-UHFFFAOYSA-N 0 3 380.445 0.723 20 5 GCBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000523482313 1196528123 /nfs/dbraw/zinc/52/81/23/1196528123.db2.gz KWBXZXWYBXRCQW-UHFFFAOYSA-N 0 3 382.417 0.488 20 5 GCBDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929465 1196607856 /nfs/dbraw/zinc/60/78/56/1196607856.db2.gz QYTBRUPVAICFBS-GXSJLCMTSA-N 0 3 382.442 0.906 20 5 GCBDHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000446159425 1196617798 /nfs/dbraw/zinc/61/77/98/1196617798.db2.gz XRNIBHWXQBBZEK-SMDDNHRTSA-N 0 3 386.405 0.128 20 5 GCBDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194533 1196692122 /nfs/dbraw/zinc/69/21/22/1196692122.db2.gz ZCOUTBOSGBGVHJ-FZMZJTMJSA-N 0 3 383.430 0.493 20 5 GCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CCCO)C1 ZINC000452800286 1197083220 /nfs/dbraw/zinc/08/32/20/1197083220.db2.gz VGHKOCMWUSWXAG-HNNXBMFYSA-N 0 3 393.444 0.357 20 5 GCBDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273707531 1199061792 /nfs/dbraw/zinc/06/17/92/1199061792.db2.gz PBCWFZJSHIDQOH-INIZCTEOSA-N 0 3 396.469 0.663 20 5 GCBDHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041720198 1200391313 /nfs/dbraw/zinc/39/13/13/1200391313.db2.gz IWXCUBNAVLXCSX-UHFFFAOYSA-N 0 3 377.445 0.986 20 5 GCBDHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174769696 1200406005 /nfs/dbraw/zinc/40/60/05/1200406005.db2.gz LUXMYMRFIPXXAW-CQSZACIVSA-N 0 3 377.445 0.923 20 5 GCBDHN CNc1nccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000594263393 1200737201 /nfs/dbraw/zinc/73/72/01/1200737201.db2.gz ZYBCJZJLBTVBAX-ZDUSSCGKSA-N 0 3 376.417 0.586 20 5 GCBDHN CNc1nccc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000566019010 1200737768 /nfs/dbraw/zinc/73/77/68/1200737768.db2.gz VXZZAAZFAPJIQL-AWEZNQCLSA-N 0 3 376.461 1.272 20 5 GCBDHN CNc1nccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000578880300 1200739772 /nfs/dbraw/zinc/73/97/72/1200739772.db2.gz ICSIJVHBQDRKRN-ZDUSSCGKSA-N 0 3 378.433 0.704 20 5 GCBDHN CNc1nccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571894857 1200741120 /nfs/dbraw/zinc/74/11/20/1200741120.db2.gz IMOOXJUNUYVHIN-LJQANCHMSA-N 0 3 385.424 1.398 20 5 GCBDHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855668 1201704117 /nfs/dbraw/zinc/70/41/17/1201704117.db2.gz MHGXGNXBGIRILG-VXGBXAGGSA-N 0 3 398.441 0.144 20 5 GCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000771655411 1202153044 /nfs/dbraw/zinc/15/30/44/1202153044.db2.gz AGLIWBMPBABNPQ-AWEZNQCLSA-N 0 3 378.429 0.928 20 5 GCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000771655415 1202153097 /nfs/dbraw/zinc/15/30/97/1202153097.db2.gz AGLIWBMPBABNPQ-CQSZACIVSA-N 0 3 378.429 0.928 20 5 GCBDHN CC(C)(C)OC(=O)NC1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000788003449 1205411045 /nfs/dbraw/zinc/41/10/45/1205411045.db2.gz GGKJRTHGSANYEI-AWEZNQCLSA-N 0 3 399.448 0.504 20 5 GCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747341724 1205561017 /nfs/dbraw/zinc/56/10/17/1205561017.db2.gz IBFJUGMVWIRKLW-KGLIPLIRSA-N 0 3 390.396 0.300 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000808270254 1205604597 /nfs/dbraw/zinc/60/45/97/1205604597.db2.gz UKMZDHCVPQFWQI-NSHDSACASA-N 0 3 397.407 0.225 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270794 1205604892 /nfs/dbraw/zinc/60/48/92/1205604892.db2.gz LAOVDLZQUFOHGD-CDVVCGDMSA-N 0 3 390.440 0.903 20 5 GCBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001132761366 1205650580 /nfs/dbraw/zinc/65/05/80/1205650580.db2.gz OTIZICNMRUVXGS-SFHVURJKSA-N 0 3 391.428 0.750 20 5 GCBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001132977680 1205655174 /nfs/dbraw/zinc/65/51/74/1205655174.db2.gz VQWTTWAEJMUHQN-QGZVFWFLSA-N 0 3 381.385 0.743 20 5 GCBDHN CC(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813108821 1205673121 /nfs/dbraw/zinc/67/31/21/1205673121.db2.gz LXOYROVXYUAQKI-PWSUYJOCSA-N 0 3 398.393 0.832 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC001173695808 1205726639 /nfs/dbraw/zinc/72/66/39/1205726639.db2.gz IEAVKKVOEMGAKE-BBRMVZONSA-N 0 3 399.469 0.423 20 5 GCBDHN O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179009094 1205799359 /nfs/dbraw/zinc/79/93/59/1205799359.db2.gz YKSXGNNNUHDMDJ-JTQLQIEISA-N 0 3 396.350 0.623 20 5 GCBDHN CS(=O)(=O)N1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570729605 530323994 /nfs/dbraw/zinc/32/39/94/530323994.db2.gz JYXPLZGXJMGBCK-UHFFFAOYSA-N 0 3 391.471 0.382 20 5 GCBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563441502 530349365 /nfs/dbraw/zinc/34/93/65/530349365.db2.gz LTHOVLZULHSCGD-CABZTGNLSA-N 0 3 388.833 0.489 20 5 GCBDHN CS(=O)(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000564319145 530350615 /nfs/dbraw/zinc/35/06/15/530350615.db2.gz DCQXLVYKSZBQEX-GFCCVEGCSA-N 0 3 388.833 0.999 20 5 GCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000161518352 530822630 /nfs/dbraw/zinc/82/26/30/530822630.db2.gz CGWMFNFVWOWAGD-LBPRGKRZSA-N 0 3 396.263 0.948 20 5 GCBDHN Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000420484219 530870304 /nfs/dbraw/zinc/87/03/04/530870304.db2.gz XOPCIZGVBAJLKU-SECBINFHSA-N 0 3 394.247 0.932 20 5 GCBDHN Cc1sc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467391563 530915181 /nfs/dbraw/zinc/91/51/81/530915181.db2.gz CBHCTMQJVDBOFH-LLVKDONJSA-N 0 3 390.487 0.830 20 5 GCBDHN Cc1noc(CS(=O)(=O)C(C)C(=O)NCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC000596019820 530926740 /nfs/dbraw/zinc/92/67/40/530926740.db2.gz HPHHTMFRPNTCBA-VIFPVBQESA-N 0 3 377.375 0.262 20 5 GCBDHN O=C(C[C@H]1CSCCN1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262835566 531072916 /nfs/dbraw/zinc/07/29/16/531072916.db2.gz WFMAHEPATCBKBF-NSHDSACASA-N 0 3 388.471 0.084 20 5 GCBDHN CN1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000577117260 531114138 /nfs/dbraw/zinc/11/41/38/531114138.db2.gz OZWAKWFFYPZHPV-NSHDSACASA-N 0 3 393.263 0.621 20 5 GCBDHN CN1CCN(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863521 598337366 /nfs/dbraw/zinc/33/73/66/598337366.db2.gz LKYDAIHFUAHPRK-AWEZNQCLSA-N 0 3 388.432 0.228 20 5 GCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737747081 598501154 /nfs/dbraw/zinc/50/11/54/598501154.db2.gz WAAOVGSMMXDDPR-JTQLQIEISA-N 0 3 375.393 0.169 20 5 GCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737747081 598501156 /nfs/dbraw/zinc/50/11/56/598501156.db2.gz WAAOVGSMMXDDPR-JTQLQIEISA-N 0 3 375.393 0.169 20 5 GCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737747081 598501158 /nfs/dbraw/zinc/50/11/58/598501158.db2.gz WAAOVGSMMXDDPR-JTQLQIEISA-N 0 3 375.393 0.169 20 5 GCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737747081 598501160 /nfs/dbraw/zinc/50/11/60/598501160.db2.gz WAAOVGSMMXDDPR-JTQLQIEISA-N 0 3 375.393 0.169 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737747084 598501378 /nfs/dbraw/zinc/50/13/78/598501378.db2.gz WAAOVGSMMXDDPR-SNVBAGLBSA-N 0 3 375.393 0.169 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737747084 598501379 /nfs/dbraw/zinc/50/13/79/598501379.db2.gz WAAOVGSMMXDDPR-SNVBAGLBSA-N 0 3 375.393 0.169 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737747084 598501380 /nfs/dbraw/zinc/50/13/80/598501380.db2.gz WAAOVGSMMXDDPR-SNVBAGLBSA-N 0 3 375.393 0.169 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737747084 598501381 /nfs/dbraw/zinc/50/13/81/598501381.db2.gz WAAOVGSMMXDDPR-SNVBAGLBSA-N 0 3 375.393 0.169 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC2CCS(=O)(=O)CC2)cc1 ZINC000463071634 677372157 /nfs/dbraw/zinc/37/21/57/677372157.db2.gz XPRSLPIJQILUAM-UHFFFAOYSA-N 0 3 377.444 0.040 20 5 GCBDHN N[C@H]1C[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCN2C1=O ZINC000570060973 1192404205 /nfs/dbraw/zinc/40/42/05/1192404205.db2.gz ZROPISYHDPVWHT-CABCVRRESA-N 0 3 387.440 0.582 20 5 GCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000278986729 1192428051 /nfs/dbraw/zinc/42/80/51/1192428051.db2.gz ATVNFTHDCKLQEZ-QGZVFWFLSA-N 0 3 375.385 0.906 20 5 GCBDHN CCN(CCO)CCNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000274611659 1184119999 /nfs/dbraw/zinc/11/99/99/1184119999.db2.gz ZOHUVTUSIXEBDY-UHFFFAOYSA-N 0 3 394.457 0.919 20 5 GCBDHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000608867263 1184366451 /nfs/dbraw/zinc/36/64/51/1184366451.db2.gz MGTUWCPDIJZIKN-AWEZNQCLSA-N 0 3 384.458 0.602 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274941847 1184437499 /nfs/dbraw/zinc/43/74/99/1184437499.db2.gz FHAZTLSCYYHJQH-HNNXBMFYSA-N 0 3 375.433 0.960 20 5 GCBDHN C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000368428406 1184776536 /nfs/dbraw/zinc/77/65/36/1184776536.db2.gz FRPUUHMZBDDDTA-DZGCQCFKSA-N 0 3 397.501 0.704 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000275997520 1185402003 /nfs/dbraw/zinc/40/20/03/1185402003.db2.gz OECUXOJXSKFRCT-UHFFFAOYSA-N 0 3 393.444 0.638 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(=O)N1CCNCC1 ZINC000430623711 1185806668 /nfs/dbraw/zinc/80/66/68/1185806668.db2.gz HVLIQYPFVVMOCQ-UHFFFAOYSA-N 0 3 379.417 0.296 20 5 GCBDHN COCCN1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000477675993 1186006998 /nfs/dbraw/zinc/00/69/98/1186006998.db2.gz IDSSSFGWBDIBJT-UHFFFAOYSA-N 0 3 378.429 0.746 20 5 GCBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276843528 1186117227 /nfs/dbraw/zinc/11/72/27/1186117227.db2.gz HXNLVNLPSWOJPP-UHFFFAOYSA-N 0 3 396.400 0.059 20 5 GCBDHN COC(=O)c1cc(NC(=O)C(=O)NCCN(C)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000276933386 1186161329 /nfs/dbraw/zinc/16/13/29/1186161329.db2.gz TYWAQJHHKUQPQD-UHFFFAOYSA-N 0 3 378.385 0.839 20 5 GCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263753018 1186472356 /nfs/dbraw/zinc/47/23/56/1186472356.db2.gz SPUDICKRGRGVBT-HNNXBMFYSA-N 0 3 391.428 0.592 20 5 GCBDHN Cn1cc([C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277619020 1186539487 /nfs/dbraw/zinc/53/94/87/1186539487.db2.gz AFHPBCOGLWXUCU-JYJNAYRXSA-N 0 3 376.413 0.776 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C1CC1 ZINC000278384148 1186923154 /nfs/dbraw/zinc/92/31/54/1186923154.db2.gz DBCYBMWBXYEGGL-HNNXBMFYSA-N 0 3 382.442 0.616 20 5 GCBDHN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375813310 1187434873 /nfs/dbraw/zinc/43/48/73/1187434873.db2.gz ZEZLUYDEZCRUMN-IIAWOOMASA-N 0 3 397.432 0.522 20 5 GCBDHN Cc1cc(C(=O)NCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262827 1187733189 /nfs/dbraw/zinc/73/31/89/1187733189.db2.gz BACDBJNOGXCUFF-GJZGRUSLSA-N 0 3 376.413 0.612 20 5 GCBDHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415300157 1188025977 /nfs/dbraw/zinc/02/59/77/1188025977.db2.gz ROCACBZQOCIGAG-UHFFFAOYSA-N 0 3 396.407 0.880 20 5 GCBDHN C[C@]1(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000377905076 1189368311 /nfs/dbraw/zinc/36/83/11/1189368311.db2.gz JBKOSKFNEWZMNG-KBXCAEBGSA-N 0 3 392.412 0.645 20 5 GCBDHN NC(=O)c1cc(OC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)ccn1 ZINC000378376915 1189492744 /nfs/dbraw/zinc/49/27/44/1189492744.db2.gz AVQKZQRRQFNIGJ-ZDUSSCGKSA-N 0 3 390.400 0.190 20 5 GCBDHN CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000566493806 1189694455 /nfs/dbraw/zinc/69/44/55/1189694455.db2.gz ICDCLOVLDRRFHL-AAEUAGOBSA-N 0 3 377.401 0.176 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348765 1193842561 /nfs/dbraw/zinc/84/25/61/1193842561.db2.gz LORXKPRICALBQU-RNCFNFMXSA-N 0 3 390.400 0.317 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025394 1194159109 /nfs/dbraw/zinc/15/91/09/1194159109.db2.gz BPADHTKCYCYPLH-NHYWBVRUSA-N 0 3 376.413 0.709 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000366946862 1194335940 /nfs/dbraw/zinc/33/59/40/1194335940.db2.gz UIWNZFXXUUDVEA-KBPBESRZSA-N 0 3 392.412 0.911 20 5 GCBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422098407 1194384028 /nfs/dbraw/zinc/38/40/28/1194384028.db2.gz JVDNNRLUUJJBRM-HNNXBMFYSA-N 0 3 389.456 0.796 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1=O ZINC000425308556 1194904699 /nfs/dbraw/zinc/90/46/99/1194904699.db2.gz CIYZXMFUXXMAEO-CYBMUJFWSA-N 0 3 394.428 0.512 20 5 GCBDHN CN(C)CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000505654597 1194912484 /nfs/dbraw/zinc/91/24/84/1194912484.db2.gz DKJGZHLBOXSBBK-UHFFFAOYSA-N 0 3 384.458 0.768 20 5 GCBDHN CCN1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517680480 1195206909 /nfs/dbraw/zinc/20/69/09/1195206909.db2.gz AUXSMYWKTIAGEZ-UHFFFAOYSA-N 0 3 384.458 0.817 20 5 GCBDHN COC(=O)Cn1cc(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000440492475 1195508385 /nfs/dbraw/zinc/50/83/85/1195508385.db2.gz UEOXEMQBWIECFC-GFCCVEGCSA-N 0 3 375.389 0.483 20 5 GCBDHN C[C@@H]1CN(C[C@H](O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000440499585 1195520774 /nfs/dbraw/zinc/52/07/74/1195520774.db2.gz XOEWUWNKYGXJFC-KCYZZUKISA-N 0 3 379.461 0.946 20 5 GCBDHN C[C@@H]1CN(CCC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000427293055 1195524643 /nfs/dbraw/zinc/52/46/43/1195524643.db2.gz XEFUWJZMFRJYBH-ZIAGYGMSSA-N 0 3 380.449 0.924 20 5 GCBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473917990 1195638511 /nfs/dbraw/zinc/63/85/11/1195638511.db2.gz IUSTZVKZPQGKMB-INIZCTEOSA-N 0 3 378.429 0.894 20 5 GCBDHN COc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000443293125 1196036662 /nfs/dbraw/zinc/03/66/62/1196036662.db2.gz FCIXEDQIXOGLIQ-ZDUSSCGKSA-N 0 3 387.458 0.975 20 5 GCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)CN1CCN(C)CC1 ZINC000522266119 1196069867 /nfs/dbraw/zinc/06/98/67/1196069867.db2.gz XKTDVEIPEBNRHF-CYBMUJFWSA-N 0 3 378.429 0.979 20 5 GCBDHN COc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281764883 1196329833 /nfs/dbraw/zinc/32/98/33/1196329833.db2.gz ATYJUUWABLWJAU-UHFFFAOYSA-N 0 3 393.444 0.684 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CCN(CC)CC1 ZINC000522848556 1196352411 /nfs/dbraw/zinc/35/24/11/1196352411.db2.gz LRCLAHDFVNVIOY-HNNXBMFYSA-N 0 3 395.508 0.971 20 5 GCBDHN COCCNC(=O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000025814968 1196384138 /nfs/dbraw/zinc/38/41/38/1196384138.db2.gz JRYUVQWZMLKDCY-INIZCTEOSA-N 0 3 381.429 0.809 20 5 GCBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H]3CCCN4CCO)cc2n(C)c1=O ZINC000897218058 1196405910 /nfs/dbraw/zinc/40/59/10/1196405910.db2.gz AOQUMBDWSKMYFQ-STQMWFEESA-N 0 3 375.429 0.821 20 5 GCBDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929471 1196607793 /nfs/dbraw/zinc/60/77/93/1196607793.db2.gz QYTBRUPVAICFBS-MWLCHTKSSA-N 0 3 382.442 0.906 20 5 GCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000449144843 1196857597 /nfs/dbraw/zinc/85/75/97/1196857597.db2.gz UXHJZYNCFBIRKT-UKPHBRMFSA-N 0 3 383.470 0.613 20 5 GCBDHN Cn1nnc2cc(CNCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000532212401 1197126565 /nfs/dbraw/zinc/12/65/65/1197126565.db2.gz JISSVUXZWXEUKY-UHFFFAOYSA-N 0 3 390.425 0.945 20 5 GCBDHN CC(C)(C(=O)N1CCN(C(=O)CN2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000103121717 1197263166 /nfs/dbraw/zinc/26/31/66/1197263166.db2.gz XDTPBMIKYMTHJG-UHFFFAOYSA-N 0 3 378.433 0.293 20 5 GCBDHN CC(C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429742883 1197404635 /nfs/dbraw/zinc/40/46/35/1197404635.db2.gz JBWSLIWRPIOBSQ-HNNXBMFYSA-N 0 3 384.458 0.801 20 5 GCBDHN C[C@@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000121969408 1197526952 /nfs/dbraw/zinc/52/69/52/1197526952.db2.gz IVABXYJQVBIBQY-GJZGRUSLSA-N 0 3 391.472 0.713 20 5 GCBDHN C[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000121969202 1197528460 /nfs/dbraw/zinc/52/84/60/1197528460.db2.gz IVABXYJQVBIBQY-HUUCEWRRSA-N 0 3 391.472 0.713 20 5 GCBDHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273707532 1199061601 /nfs/dbraw/zinc/06/16/01/1199061601.db2.gz PBCWFZJSHIDQOH-MRXNPFEDSA-N 0 3 396.469 0.663 20 5 GCBDHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC000114160132 1199374071 /nfs/dbraw/zinc/37/40/71/1199374071.db2.gz NSHSFDFIZYOJLO-HNNXBMFYSA-N 0 3 389.456 0.654 20 5 GCBDHN COc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cccc1[N+](=O)[O-] ZINC000331078633 1199865753 /nfs/dbraw/zinc/86/57/53/1199865753.db2.gz WRZISBIGQPADAB-HNNXBMFYSA-N 0 3 376.413 0.982 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCN(CC)CC1 ZINC000509129956 1199935233 /nfs/dbraw/zinc/93/52/33/1199935233.db2.gz OOFKEXAHTJDSNA-AWEZNQCLSA-N 0 3 381.481 0.581 20 5 GCBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000282499495 1200088338 /nfs/dbraw/zinc/08/83/38/1200088338.db2.gz NBHWKVLQAPUAKU-LBPRGKRZSA-N 0 3 395.435 0.981 20 5 GCBDHN CNc1nccc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000566019011 1200738286 /nfs/dbraw/zinc/73/82/86/1200738286.db2.gz VXZZAAZFAPJIQL-CQSZACIVSA-N 0 3 376.461 1.272 20 5 GCBDHN C[C@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648573 1205426432 /nfs/dbraw/zinc/42/64/32/1205426432.db2.gz ZBPHUBDRVUODFF-ZFWWWQNUSA-N 0 3 377.445 0.761 20 5 GCBDHN C[C@@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648568 1205426632 /nfs/dbraw/zinc/42/66/32/1205426632.db2.gz ZBPHUBDRVUODFF-HIFRSBDPSA-N 0 3 377.445 0.761 20 5 GCBDHN C[C@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCC1 ZINC000793708160 1205504487 /nfs/dbraw/zinc/50/44/87/1205504487.db2.gz LFXAMMHLIYVZSM-CQSZACIVSA-N 0 3 392.460 0.945 20 5 GCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000813105565 1205672769 /nfs/dbraw/zinc/67/27/69/1205672769.db2.gz OUEHILBATAEXIK-NSHDSACASA-N 0 3 388.398 0.538 20 5 GCBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813113301 1205673110 /nfs/dbraw/zinc/67/31/10/1205673110.db2.gz PDXSKAKPIFZEIR-KYXKSCCESA-N 0 3 375.381 0.998 20 5 GCBDHN CC(COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813109928 1205673150 /nfs/dbraw/zinc/67/31/50/1205673150.db2.gz QKYBDTIUFHJCTM-NSHDSACASA-N 0 3 388.398 0.725 20 5 GCBDHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813115768 1205673262 /nfs/dbraw/zinc/67/32/62/1205673262.db2.gz ZHVFMVDWIZCCKK-DIFFPNOSSA-N 0 3 379.369 0.979 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC001173695811 1205726605 /nfs/dbraw/zinc/72/66/05/1205726605.db2.gz IEAVKKVOEMGAKE-XJKSGUPXSA-N 0 3 399.469 0.423 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001173695321 1205726709 /nfs/dbraw/zinc/72/67/09/1205726709.db2.gz CHJXBFXTFVYYIY-SWLSCSKDSA-N 0 3 385.442 0.033 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@H](CO)[C@H](O)C2)CC1 ZINC001173695810 1205726803 /nfs/dbraw/zinc/72/68/03/1205726803.db2.gz IEAVKKVOEMGAKE-CZUORRHYSA-N 0 3 399.469 0.423 20 5 GCBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008633 1205799371 /nfs/dbraw/zinc/79/93/71/1205799371.db2.gz OTYYJVXTEISUJL-YPMHNXCESA-N 0 3 378.385 0.382 20 5 GCBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008632 1205799479 /nfs/dbraw/zinc/79/94/79/1205799479.db2.gz OTYYJVXTEISUJL-WCQYABFASA-N 0 3 378.385 0.382 20 5 GCBDHN O=C(NCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052604 1205817549 /nfs/dbraw/zinc/81/75/49/1205817549.db2.gz BWVQQOZAYHDSCW-HZPDHXFCSA-N 0 3 391.428 0.774 20 5 GCBDHN CCS(=O)(=O)N1CC(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516052023 530310341 /nfs/dbraw/zinc/31/03/41/530310341.db2.gz OBXDHCDSSNYMCP-UHFFFAOYSA-N 0 3 391.471 0.240 20 5 GCBDHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899346 530350423 /nfs/dbraw/zinc/35/04/23/530350423.db2.gz UHOZNIOVFCZGQG-DGCLKSJQSA-N 0 3 397.229 0.670 20 5 GCBDHN [NH3+]CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000423732626 530888148 /nfs/dbraw/zinc/88/81/48/530888148.db2.gz AUMFNMBKGVEOAI-SNVBAGLBSA-N 0 3 384.336 0.269 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737114065 598530774 /nfs/dbraw/zinc/53/07/74/598530774.db2.gz CECSOQSJSRECRA-JTQLQIEISA-N 0 3 385.388 0.812 20 5 GCBDHN O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+](CCO)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645985 599529642 /nfs/dbraw/zinc/52/96/42/599529642.db2.gz YZKRNKFNLVZVLM-UHFFFAOYSA-N 0 3 384.400 0.828 20 5 GCBDHN O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](CCO)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645985 599529645 /nfs/dbraw/zinc/52/96/45/599529645.db2.gz YZKRNKFNLVZVLM-UHFFFAOYSA-N 0 3 384.400 0.828 20 5 GCBDHN O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+](CCO)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645985 599529647 /nfs/dbraw/zinc/52/96/47/599529647.db2.gz YZKRNKFNLVZVLM-UHFFFAOYSA-N 0 3 384.400 0.828 20 5 GCBDHN O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](CCO)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645985 599529648 /nfs/dbraw/zinc/52/96/48/599529648.db2.gz YZKRNKFNLVZVLM-UHFFFAOYSA-N 0 3 384.400 0.828 20 5 GCBDHN C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821621874 607126198 /nfs/dbraw/zinc/12/61/98/607126198.db2.gz JRROAZVEMSBPRU-SECBINFHSA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821621874 607126200 /nfs/dbraw/zinc/12/62/00/607126200.db2.gz JRROAZVEMSBPRU-SECBINFHSA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821621874 607126201 /nfs/dbraw/zinc/12/62/01/607126201.db2.gz JRROAZVEMSBPRU-SECBINFHSA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821621874 607126203 /nfs/dbraw/zinc/12/62/03/607126203.db2.gz JRROAZVEMSBPRU-SECBINFHSA-N 0 3 388.417 0.864 20 5 GCBDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768863449 640763593 /nfs/dbraw/zinc/76/35/93/640763593.db2.gz VYTUIIZMLORANO-LBPRGKRZSA-N 0 3 388.471 0.583 20 5 GCBDHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049278487 1192213861 /nfs/dbraw/zinc/21/38/61/1192213861.db2.gz GZYVUKGYXDVRAF-UHFFFAOYSA-N 0 3 383.836 0.940 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718772 1192396835 /nfs/dbraw/zinc/39/68/35/1192396835.db2.gz XMHZTODFECCOFE-ZWKOTPCHSA-N 0 3 376.413 0.806 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718769 1192397352 /nfs/dbraw/zinc/39/73/52/1192397352.db2.gz XMHZTODFECCOFE-MSOLQXFVSA-N 0 3 376.413 0.806 20 5 GCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000278986716 1192427998 /nfs/dbraw/zinc/42/79/98/1192427998.db2.gz ATVNFTHDCKLQEZ-KRWDZBQOSA-N 0 3 375.385 0.906 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279004943 1192435754 /nfs/dbraw/zinc/43/57/54/1192435754.db2.gz DJADNTDFDGJZDW-QGZVFWFLSA-N 0 3 391.384 0.606 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279004942 1192436050 /nfs/dbraw/zinc/43/60/50/1192436050.db2.gz DJADNTDFDGJZDW-KRWDZBQOSA-N 0 3 391.384 0.606 20 5 GCBDHN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000512142036 1192472457 /nfs/dbraw/zinc/47/24/57/1192472457.db2.gz GJHXVXSGJZJWBC-CYBMUJFWSA-N 0 3 396.469 0.982 20 5 GCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000432542357 1192548065 /nfs/dbraw/zinc/54/80/65/1192548065.db2.gz OKVGGUIWATWGTP-UHFFFAOYSA-N 0 3 380.445 0.723 20 5 GCBDHN O=C(NC[C@@H]1CNCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418756587 1192640319 /nfs/dbraw/zinc/64/03/19/1192640319.db2.gz CXMHUQOLAQWXHI-HNNXBMFYSA-N 0 3 377.401 0.051 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274496421 1184077581 /nfs/dbraw/zinc/07/75/81/1184077581.db2.gz IJKUZYQYXWROBU-ZDUSSCGKSA-N 0 3 393.444 0.684 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274941849 1184437217 /nfs/dbraw/zinc/43/72/17/1184437217.db2.gz FHAZTLSCYYHJQH-OAHLLOKOSA-N 0 3 375.433 0.960 20 5 GCBDHN Cc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426860 1185169117 /nfs/dbraw/zinc/16/91/17/1185169117.db2.gz GOMRHNSEGUVSIU-LBPRGKRZSA-N 0 3 382.442 0.765 20 5 GCBDHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261744495 1185248658 /nfs/dbraw/zinc/24/86/58/1185248658.db2.gz LAXCHYAQXGFMJO-CYBMUJFWSA-N 0 3 388.384 0.642 20 5 GCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000261989083 1185299112 /nfs/dbraw/zinc/29/91/12/1185299112.db2.gz CQFTZEVGKWDTQC-AWEZNQCLSA-N 0 3 397.457 0.040 20 5 GCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](CN(C)C)C1 ZINC000276286077 1185719807 /nfs/dbraw/zinc/71/98/07/1185719807.db2.gz YSISXBDJKPPMSP-GFCCVEGCSA-N 0 3 387.414 0.333 20 5 GCBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)N1CCNCC1 ZINC000430611672 1185759167 /nfs/dbraw/zinc/75/91/67/1185759167.db2.gz PKSPDTODFWGGLG-UHFFFAOYSA-N 0 3 377.401 0.256 20 5 GCBDHN NS(=O)(=O)c1cccc(N2CCCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000612654798 1186731841 /nfs/dbraw/zinc/73/18/41/1186731841.db2.gz XQUDQGHYFIDWLR-CYBMUJFWSA-N 0 3 384.458 0.933 20 5 GCBDHN N[C@@H]1C[C@@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658582 1187695045 /nfs/dbraw/zinc/69/50/45/1187695045.db2.gz HVEDVTDBVPPMQO-HUUCEWRRSA-N 0 3 375.429 0.175 20 5 GCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1SCCO ZINC000580902172 1187701867 /nfs/dbraw/zinc/70/18/67/1187701867.db2.gz HJFIQCFXLLWSGS-KRWDZBQOSA-N 0 3 381.454 0.866 20 5 GCBDHN COC(=O)COc1ccc(CN2CCN(C)C[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000414483287 1187978539 /nfs/dbraw/zinc/97/85/39/1187978539.db2.gz FDALVFLUMVWYGW-AWEZNQCLSA-N 0 3 395.412 0.683 20 5 GCBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102165304 1188158869 /nfs/dbraw/zinc/15/88/69/1188158869.db2.gz QCURTMHTRMQDPH-CYBMUJFWSA-N 0 3 379.392 0.870 20 5 GCBDHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000417288190 1189640603 /nfs/dbraw/zinc/64/06/03/1189640603.db2.gz XXWBOOOYMUXIEW-VXGBXAGGSA-N 0 3 385.446 0.265 20 5 GCBDHN CC1(C)CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000417329520 1189645868 /nfs/dbraw/zinc/64/58/68/1189645868.db2.gz UJWPVJQDKXNENS-UHFFFAOYSA-N 0 3 385.446 0.267 20 5 GCBDHN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000417689272 1189696460 /nfs/dbraw/zinc/69/64/60/1189696460.db2.gz FYJWIGHAYHEVQU-RYUDHWBXSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000417689273 1189696820 /nfs/dbraw/zinc/69/68/20/1189696820.db2.gz FYJWIGHAYHEVQU-VXGBXAGGSA-N 0 3 385.446 0.265 20 5 GCBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCCc1ccccc1 ZINC000566791684 1189820017 /nfs/dbraw/zinc/82/00/17/1189820017.db2.gz DWGBKHRBEINVAZ-MSOLQXFVSA-N 0 3 387.440 0.976 20 5 GCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000110865526 1189881666 /nfs/dbraw/zinc/88/16/66/1189881666.db2.gz DKPZMCDSNVDDIM-UHFFFAOYSA-N 0 3 387.444 0.885 20 5 GCBDHN CN(C)C1(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000419796293 1194105237 /nfs/dbraw/zinc/10/52/37/1194105237.db2.gz NQXZBLJDXNLPBF-UHFFFAOYSA-N 0 3 378.385 0.905 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420029953 1194160221 /nfs/dbraw/zinc/16/02/21/1194160221.db2.gz FYCXMKKFCKNQPR-DGCLKSJQSA-N 0 3 394.432 0.184 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420029954 1194160321 /nfs/dbraw/zinc/16/03/21/1194160321.db2.gz FYCXMKKFCKNQPR-WCQYABFASA-N 0 3 394.432 0.184 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044146 1194167445 /nfs/dbraw/zinc/16/74/45/1194167445.db2.gz SOSGSZQKJDTMPB-ABAIWWIYSA-N 0 3 392.412 0.414 20 5 GCBDHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420204619 1194204398 /nfs/dbraw/zinc/20/43/98/1194204398.db2.gz SHUQGUSKUKXRQA-MRXNPFEDSA-N 0 3 392.412 0.069 20 5 GCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420482490 1194231722 /nfs/dbraw/zinc/23/17/22/1194231722.db2.gz UNEPPNGOBXTWSR-AWEZNQCLSA-N 0 3 380.430 0.979 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000366946863 1194336773 /nfs/dbraw/zinc/33/67/73/1194336773.db2.gz UIWNZFXXUUDVEA-KGLIPLIRSA-N 0 3 392.412 0.911 20 5 GCBDHN O=C(N[C@H](CO)CN1CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823576 1194346790 /nfs/dbraw/zinc/34/67/90/1194346790.db2.gz VSYOINRWITXHEJ-UONOGXRCSA-N 0 3 394.428 0.755 20 5 GCBDHN CC1(C)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000423708464 1194787120 /nfs/dbraw/zinc/78/71/20/1194787120.db2.gz MIOJAJJBKZVUJI-OAHLLOKOSA-N 0 3 396.469 0.958 20 5 GCBDHN CC1(C)CCN(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000514613105 1194887902 /nfs/dbraw/zinc/88/79/02/1194887902.db2.gz BGWSSGDYSFGXQW-UHFFFAOYSA-N 0 3 384.458 0.721 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000425320583 1194910674 /nfs/dbraw/zinc/91/06/74/1194910674.db2.gz RCQVFFCLFUIEAL-CYBMUJFWSA-N 0 3 394.428 0.512 20 5 GCBDHN CNc1nccc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000518795730 1195332594 /nfs/dbraw/zinc/33/25/94/1195332594.db2.gz CEIJAKVJYPLGIQ-GFCCVEGCSA-N 0 3 378.433 0.752 20 5 GCBDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000439937985 1195368628 /nfs/dbraw/zinc/36/86/28/1195368628.db2.gz CSPRMLTWUQDZOI-SMDDNHRTSA-N 0 3 383.430 0.493 20 5 GCBDHN CN1CCN(CCC(C)(C)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184201030 1195443500 /nfs/dbraw/zinc/44/35/00/1195443500.db2.gz MFFALQJRTLKFRN-UHFFFAOYSA-N 0 3 391.472 0.857 20 5 GCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1 ZINC000519697852 1195563613 /nfs/dbraw/zinc/56/36/13/1195563613.db2.gz JJRWVJIBJJRFNF-AWEZNQCLSA-N 0 3 395.437 0.903 20 5 GCBDHN COc1ccc(C(=O)NCC(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000293977300 1195587356 /nfs/dbraw/zinc/58/73/56/1195587356.db2.gz GFUWNMYFIUNRGR-UHFFFAOYSA-N 0 3 390.400 0.730 20 5 GCBDHN COCCN1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141604866 1195827981 /nfs/dbraw/zinc/82/79/81/1195827981.db2.gz GMPSFQGPTUTTMW-CYBMUJFWSA-N 0 3 378.429 0.940 20 5 GCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521499124 1195998895 /nfs/dbraw/zinc/99/88/95/1195998895.db2.gz XGFOFYLJTWQCHS-CYBMUJFWSA-N 0 3 392.412 0.996 20 5 GCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000151615792 1196055226 /nfs/dbraw/zinc/05/52/26/1196055226.db2.gz SSBUGIUEALAMHU-MRXNPFEDSA-N 0 3 375.429 0.697 20 5 GCBDHN CNC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000151620597 1196063713 /nfs/dbraw/zinc/06/37/13/1196063713.db2.gz MQCBRKNWQVLXFY-OAHLLOKOSA-N 0 3 375.429 0.697 20 5 GCBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H]3CCCN4CCO)cc2n(C)c1=O ZINC000897218055 1196405840 /nfs/dbraw/zinc/40/58/40/1196405840.db2.gz AOQUMBDWSKMYFQ-CHWSQXEVSA-N 0 3 375.429 0.821 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000523988046 1196570923 /nfs/dbraw/zinc/57/09/23/1196570923.db2.gz OOOQWPSWADPORS-LBPRGKRZSA-N 0 3 397.457 0.409 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCCN1CCN(C)CC1 ZINC000525335260 1196670931 /nfs/dbraw/zinc/67/09/31/1196670931.db2.gz SEJIIJDRJRAELE-HNNXBMFYSA-N 0 3 395.508 0.971 20 5 GCBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000527385331 1196782524 /nfs/dbraw/zinc/78/25/24/1196782524.db2.gz HKTRUZATASHLBZ-CYBMUJFWSA-N 0 3 386.474 0.908 20 5 GCBDHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000530810949 1197018310 /nfs/dbraw/zinc/01/83/10/1197018310.db2.gz BANZJHNCXJTSEW-CQSZACIVSA-N 0 3 390.444 0.049 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CCCCN1CCO ZINC000452388790 1197056472 /nfs/dbraw/zinc/05/64/72/1197056472.db2.gz KNJJVTOWILGISY-AWEZNQCLSA-N 0 3 379.413 0.872 20 5 GCBDHN COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000532241122 1197131204 /nfs/dbraw/zinc/13/12/04/1197131204.db2.gz FCKHBXLHGMHTEF-OAHLLOKOSA-N 0 3 390.440 0.911 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455453507 1197461731 /nfs/dbraw/zinc/46/17/31/1197461731.db2.gz XCOPETXVBDWIBQ-UHFFFAOYSA-N 0 3 378.433 0.658 20 5 GCBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000282499487 1200087662 /nfs/dbraw/zinc/08/76/62/1200087662.db2.gz NBHWKVLQAPUAKU-GFCCVEGCSA-N 0 3 395.435 0.981 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041640300 1200388288 /nfs/dbraw/zinc/38/82/88/1200388288.db2.gz MTFVTDRBOASGEX-CQSZACIVSA-N 0 3 377.445 0.984 20 5 GCBDHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000174650022 1200402685 /nfs/dbraw/zinc/40/26/85/1200402685.db2.gz AWLJQVCTOUMZQY-OAHLLOKOSA-N 0 3 389.456 0.654 20 5 GCBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000611242567 1201224922 /nfs/dbraw/zinc/22/49/22/1201224922.db2.gz VZCRMZIRKDUHDD-OAHLLOKOSA-N 0 3 397.457 0.161 20 5 GCBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000731621063 1201491025 /nfs/dbraw/zinc/49/10/25/1201491025.db2.gz CNEKIDCIEKCIPP-KBPBESRZSA-N 0 3 393.396 0.774 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000733162609 1201579180 /nfs/dbraw/zinc/57/91/80/1201579180.db2.gz PPXHYBUWECARPT-CQSZACIVSA-N 0 3 378.429 0.928 20 5 GCBDHN CN1CCN(CC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000771565599 1202149711 /nfs/dbraw/zinc/14/97/11/1202149711.db2.gz DWEYTXYZBBMPBE-UHFFFAOYSA-N 0 3 376.461 0.533 20 5 GCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747341725 1205561075 /nfs/dbraw/zinc/56/10/75/1205561075.db2.gz IBFJUGMVWIRKLW-ZIAGYGMSSA-N 0 3 390.396 0.300 20 5 GCBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001132976403 1205655150 /nfs/dbraw/zinc/65/51/50/1205655150.db2.gz CUYARKCMRXHFOO-SFHVURJKSA-N 0 3 395.412 0.801 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001173697947 1205726617 /nfs/dbraw/zinc/72/66/17/1205726617.db2.gz XPGFJMNLBYKOLF-XJKSGUPXSA-N 0 3 399.469 0.423 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001173697938 1205726733 /nfs/dbraw/zinc/72/67/33/1205726733.db2.gz XPGFJMNLBYKOLF-BBRMVZONSA-N 0 3 399.469 0.423 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001173697946 1205726785 /nfs/dbraw/zinc/72/67/85/1205726785.db2.gz XPGFJMNLBYKOLF-CZUORRHYSA-N 0 3 399.469 0.423 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OC)(OC)[C@@H](O)C1 ZINC001175716355 1205740407 /nfs/dbraw/zinc/74/04/07/1205740407.db2.gz UCJWRJYMHUEVIQ-HNNXBMFYSA-N 0 3 383.401 0.988 20 5 GCBDHN O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052603 1205817442 /nfs/dbraw/zinc/81/74/42/1205817442.db2.gz BWVQQOZAYHDSCW-HOTGVXAUSA-N 0 3 391.428 0.774 20 5 GCBDHN CS(=O)(=O)N1CC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000570445125 530319732 /nfs/dbraw/zinc/31/97/32/530319732.db2.gz XQXMUAVJCQTNPW-GFCCVEGCSA-N 0 3 391.471 0.240 20 5 GCBDHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570718708 530324025 /nfs/dbraw/zinc/32/40/25/530324025.db2.gz AAWLQYMNJNUBIV-LLVKDONJSA-N 0 3 393.263 0.539 20 5 GCBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563441503 530349390 /nfs/dbraw/zinc/34/93/90/530349390.db2.gz LTHOVLZULHSCGD-JOYOIKCWSA-N 0 3 388.833 0.489 20 5 GCBDHN N[C@@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899347 530603586 /nfs/dbraw/zinc/60/35/86/530603586.db2.gz UHOZNIOVFCZGQG-WCQYABFASA-N 0 3 397.229 0.670 20 5 GCBDHN CSCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269058798 530696222 /nfs/dbraw/zinc/69/62/22/530696222.db2.gz UEXYFXWVRMCMIR-GFCCVEGCSA-N 0 3 376.460 0.070 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCN2CCCS2(=O)=O)cc1 ZINC000591732559 530727603 /nfs/dbraw/zinc/72/76/03/530727603.db2.gz QPFWRJXCEPXWEH-UHFFFAOYSA-N 0 3 391.471 0.384 20 5 GCBDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592393236 530766523 /nfs/dbraw/zinc/76/65/23/530766523.db2.gz ZXXUJPJWGCXWGM-JTQLQIEISA-N 0 3 382.364 0.796 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000592982743 530789502 /nfs/dbraw/zinc/78/95/02/530789502.db2.gz HFQHEAXVIURCIM-JTQLQIEISA-N 0 3 393.263 0.621 20 5 GCBDHN Cc1sc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467391564 530915364 /nfs/dbraw/zinc/91/53/64/530915364.db2.gz CBHCTMQJVDBOFH-NSHDSACASA-N 0 3 390.487 0.830 20 5 GCBDHN CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)CC1 ZINC000736863352 598499549 /nfs/dbraw/zinc/49/95/49/598499549.db2.gz JHDAOSAMNOMTFF-UHFFFAOYSA-N 0 3 387.448 0.634 20 5 GCBDHN CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)CC1 ZINC000736863352 598499551 /nfs/dbraw/zinc/49/95/51/598499551.db2.gz JHDAOSAMNOMTFF-UHFFFAOYSA-N 0 3 387.448 0.634 20 5 GCBDHN CN(CCO)CCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000899738119 639273221 /nfs/dbraw/zinc/27/32/21/639273221.db2.gz SBGZJTTVHUJUSC-UHFFFAOYSA-N 0 3 389.250 0.834 20 5 GCBDHN COCC[NH2+]CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193363712 642058371 /nfs/dbraw/zinc/05/83/71/642058371.db2.gz PDVUAWGEAUIFAP-UHFFFAOYSA-N 0 3 382.236 0.872 20 5 GCBDHN NC(=O)C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000541635980 1192184393 /nfs/dbraw/zinc/18/43/93/1192184393.db2.gz ZVSFEKKVFOQXBA-OAHLLOKOSA-N 0 3 385.442 0.629 20 5 GCBDHN CN1CCN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000511937551 1192217015 /nfs/dbraw/zinc/21/70/15/1192217015.db2.gz HKWAITCAMAEACM-MRXNPFEDSA-N 0 3 387.444 0.681 20 5 GCBDHN CCN1CCN(CCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264916976 1192265586 /nfs/dbraw/zinc/26/55/86/1192265586.db2.gz ORENZADAYVELRE-UHFFFAOYSA-N 0 3 395.485 0.540 20 5 GCBDHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000500696876 1192710913 /nfs/dbraw/zinc/71/09/13/1192710913.db2.gz SXWHYVCQLODLQQ-OAHLLOKOSA-N 0 3 398.485 0.644 20 5 GCBDHN N[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000573701974 1192910830 /nfs/dbraw/zinc/91/08/30/1192910830.db2.gz ZTBMXNFTGLAFAK-MRXNPFEDSA-N 0 3 398.423 0.455 20 5 GCBDHN CCc1n[nH]c(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110742 1184518506 /nfs/dbraw/zinc/51/85/06/1184518506.db2.gz KNJCNEQBSPZXHV-NSHDSACASA-N 0 3 387.462 0.461 20 5 GCBDHN CCc1[nH]nc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110742 1184518514 /nfs/dbraw/zinc/51/85/14/1184518514.db2.gz KNJCNEQBSPZXHV-NSHDSACASA-N 0 3 387.462 0.461 20 5 GCBDHN O=C(CN(CCO)C1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275455994 1184675304 /nfs/dbraw/zinc/67/53/04/1184675304.db2.gz BJRVPBSEDIJABL-UHFFFAOYSA-N 0 3 392.456 0.717 20 5 GCBDHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000275797059 1185071240 /nfs/dbraw/zinc/07/12/40/1185071240.db2.gz WEPQNZRLIFPYIA-NWDGAFQWSA-N 0 3 386.405 0.128 20 5 GCBDHN N[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000261698916 1185234995 /nfs/dbraw/zinc/23/49/95/1185234995.db2.gz HZCSVDPPJSQENM-MRXNPFEDSA-N 0 3 376.413 0.633 20 5 GCBDHN Cc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426859 1185673032 /nfs/dbraw/zinc/67/30/32/1185673032.db2.gz GOMRHNSEGUVSIU-GFCCVEGCSA-N 0 3 382.442 0.765 20 5 GCBDHN COc1ccc(NC(=O)CCN(C)CC(=O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000430617465 1185789773 /nfs/dbraw/zinc/78/97/73/1185789773.db2.gz MXVAVUFEDCGCQW-UHFFFAOYSA-N 0 3 379.417 0.296 20 5 GCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430638742 1185843172 /nfs/dbraw/zinc/84/31/72/1185843172.db2.gz DGXMLFNQUYBZLN-OAHLLOKOSA-N 0 3 389.456 0.986 20 5 GCBDHN COC(=O)c1cnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000276857948 1186125643 /nfs/dbraw/zinc/12/56/43/1186125643.db2.gz YTOSJUMPKWZFOP-ZDUSSCGKSA-N 0 3 377.401 0.519 20 5 GCBDHN Cn1cc([C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277686845 1186563642 /nfs/dbraw/zinc/56/36/42/1186563642.db2.gz GVQWXSJXHWIGMC-LESCRADOSA-N 0 3 376.413 0.776 20 5 GCBDHN COCCN1CCC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000611835969 1186656157 /nfs/dbraw/zinc/65/61/57/1186656157.db2.gz DKIJHAURCHHDCW-HNNXBMFYSA-N 0 3 378.429 0.860 20 5 GCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCN(C)CC1 ZINC000061524680 1186754648 /nfs/dbraw/zinc/75/46/48/1186754648.db2.gz CPLZDLFIZGRTPC-AWEZNQCLSA-N 0 3 377.445 0.467 20 5 GCBDHN NS(=O)(=O)c1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000052325950 1186847289 /nfs/dbraw/zinc/84/72/89/1186847289.db2.gz SXCOLJVWEQUYDJ-UHFFFAOYSA-N 0 3 384.458 0.791 20 5 GCBDHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388873 1186925480 /nfs/dbraw/zinc/92/54/80/1186925480.db2.gz VBIFQMCUSOAQNO-QGPMSJSTSA-N 0 3 384.429 0.680 20 5 GCBDHN COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000584064579 1186992878 /nfs/dbraw/zinc/99/28/78/1186992878.db2.gz HQKJIUDSUUWNBW-GMXVVIOVSA-N 0 3 377.401 0.174 20 5 GCBDHN CN1CCN(c2ncccc2CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581365612 1187713756 /nfs/dbraw/zinc/71/37/56/1187713756.db2.gz XUOOPAGZJNWNCH-MRXNPFEDSA-N 0 3 375.433 0.089 20 5 GCBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262828 1187732737 /nfs/dbraw/zinc/73/27/37/1187732737.db2.gz BACDBJNOGXCUFF-HUUCEWRRSA-N 0 3 376.413 0.612 20 5 GCBDHN C[C@@]1(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000377905085 1189368217 /nfs/dbraw/zinc/36/82/17/1189368217.db2.gz JBKOSKFNEWZMNG-KSSFIOAISA-N 0 3 392.412 0.645 20 5 GCBDHN NC(=O)c1cc(OC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)ccn1 ZINC000378376910 1189492621 /nfs/dbraw/zinc/49/26/21/1189492621.db2.gz AVQKZQRRQFNIGJ-CYBMUJFWSA-N 0 3 390.400 0.190 20 5 GCBDHN C[C@H]1NCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417320117 1189646766 /nfs/dbraw/zinc/64/67/66/1189646766.db2.gz IVQUQQMKGRXKJR-NEPJUHHUSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@H]1NCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417674836 1189695135 /nfs/dbraw/zinc/69/51/35/1189695135.db2.gz AXOZZBWUOBBEHE-NEPJUHHUSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417674841 1189695143 /nfs/dbraw/zinc/69/51/43/1189695143.db2.gz AXOZZBWUOBBEHE-NWDGAFQWSA-N 0 3 385.446 0.265 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947009 1189774376 /nfs/dbraw/zinc/77/43/76/1189774376.db2.gz HUKNNKCOFNLQPD-CABCVRRESA-N 0 3 391.472 0.855 20 5 GCBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000106765695 1189936422 /nfs/dbraw/zinc/93/64/22/1189936422.db2.gz ZXOJJBSSEGQHHY-INIZCTEOSA-N 0 3 375.429 0.947 20 5 GCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513465160 1193953791 /nfs/dbraw/zinc/95/37/91/1193953791.db2.gz KZCOSWFZDCWSLM-UHFFFAOYSA-N 0 3 398.485 0.708 20 5 GCBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419793283 1194105181 /nfs/dbraw/zinc/10/51/81/1194105181.db2.gz YWOJDYMIPPSPLA-LBPRGKRZSA-N 0 3 390.318 0.334 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025395 1194158863 /nfs/dbraw/zinc/15/88/63/1194158863.db2.gz BPADHTKCYCYPLH-XHDPSFHLSA-N 0 3 376.413 0.709 20 5 GCBDHN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CNCCO1 ZINC000423991950 1194797502 /nfs/dbraw/zinc/79/75/02/1194797502.db2.gz NIDVPSYXYDULMX-CABCVRRESA-N 0 3 396.469 0.551 20 5 GCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2c[nH]c3nccnc23)c1 ZINC000514697047 1194895759 /nfs/dbraw/zinc/89/57/59/1194895759.db2.gz MVUXAQXOITYSFP-UHFFFAOYSA-N 0 3 376.398 0.886 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1=O ZINC000425320038 1194912781 /nfs/dbraw/zinc/91/27/81/1194912781.db2.gz QLZYABBVNAGHSP-AWEZNQCLSA-N 0 3 394.428 0.512 20 5 GCBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 ZINC000515346887 1194969664 /nfs/dbraw/zinc/96/96/64/1194969664.db2.gz DHOIGMWZFKWZJE-QGZVFWFLSA-N 0 3 388.428 0.091 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H](O)COc2ccccc2)cc1 ZINC000516862369 1195106302 /nfs/dbraw/zinc/10/63/02/1195106302.db2.gz XXTYKJGRTVCYNI-HNNXBMFYSA-N 0 3 395.437 0.903 20 5 GCBDHN COc1ccc(NC(=O)CCN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000518797535 1195334532 /nfs/dbraw/zinc/33/45/32/1195334532.db2.gz XGFQCYBLCLTJPY-AAEUAGOBSA-N 0 3 377.401 0.176 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C1CC1 ZINC000426883273 1195488769 /nfs/dbraw/zinc/48/87/69/1195488769.db2.gz SBNKLRBIFYFJPO-AWEZNQCLSA-N 0 3 382.442 0.616 20 5 GCBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473917993 1195638653 /nfs/dbraw/zinc/63/86/53/1195638653.db2.gz IUSTZVKZPQGKMB-MRXNPFEDSA-N 0 3 378.429 0.894 20 5 GCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000521506650 1195999310 /nfs/dbraw/zinc/99/93/10/1195999310.db2.gz IGJAKRTXOXLDAC-CQSZACIVSA-N 0 3 380.449 0.585 20 5 GCBDHN COc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000443291633 1196036299 /nfs/dbraw/zinc/03/62/99/1196036299.db2.gz FXXPFQHWIKFESL-ZDUSSCGKSA-N 0 3 387.458 0.975 20 5 GCBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1(C)C ZINC000281852809 1196341261 /nfs/dbraw/zinc/34/12/61/1196341261.db2.gz UQOPBCODSMITBN-UHFFFAOYSA-N 0 3 398.485 0.754 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CCN(CC)CC1 ZINC000522848557 1196352532 /nfs/dbraw/zinc/35/25/32/1196352532.db2.gz LRCLAHDFVNVIOY-OAHLLOKOSA-N 0 3 395.508 0.971 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000523988045 1196570862 /nfs/dbraw/zinc/57/08/62/1196570862.db2.gz OOOQWPSWADPORS-GFCCVEGCSA-N 0 3 397.457 0.409 20 5 GCBDHN CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000525523131 1196688124 /nfs/dbraw/zinc/68/81/24/1196688124.db2.gz RSIJQJVNVRSVNA-CQSZACIVSA-N 0 3 384.458 0.768 20 5 GCBDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194530 1196692275 /nfs/dbraw/zinc/69/22/75/1196692275.db2.gz ZCOUTBOSGBGVHJ-BXUZGUMPSA-N 0 3 383.430 0.493 20 5 GCBDHN COCCN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000520341253 1197109081 /nfs/dbraw/zinc/10/90/81/1197109081.db2.gz YZMAACQUFRUYEY-GFCCVEGCSA-N 0 3 384.458 0.955 20 5 GCBDHN COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000532241121 1197131315 /nfs/dbraw/zinc/13/13/15/1197131315.db2.gz FCKHBXLHGMHTEF-HNNXBMFYSA-N 0 3 390.440 0.911 20 5 GCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000121969022 1197529163 /nfs/dbraw/zinc/52/91/63/1197529163.db2.gz IVABXYJQVBIBQY-LSDHHAIUSA-N 0 3 391.472 0.713 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000543010247 1199359818 /nfs/dbraw/zinc/35/98/18/1199359818.db2.gz BLPCMBHAFQXOGZ-ZDUSSCGKSA-N 0 3 393.444 0.684 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000543010246 1199360010 /nfs/dbraw/zinc/36/00/10/1199360010.db2.gz BLPCMBHAFQXOGZ-CYBMUJFWSA-N 0 3 393.444 0.684 20 5 GCBDHN NC(=O)C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491564 1199960346 /nfs/dbraw/zinc/96/03/46/1199960346.db2.gz OBWGTOMBJSHFJK-HZPDHXFCSA-N 0 3 376.413 0.960 20 5 GCBDHN NC(=O)C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491563 1199960407 /nfs/dbraw/zinc/96/04/07/1199960407.db2.gz OBWGTOMBJSHFJK-HOTGVXAUSA-N 0 3 376.413 0.960 20 5 GCBDHN NC(=O)C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491562 1199960510 /nfs/dbraw/zinc/96/05/10/1199960510.db2.gz OBWGTOMBJSHFJK-CVEARBPZSA-N 0 3 376.413 0.960 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000735855400 1201703843 /nfs/dbraw/zinc/70/38/43/1201703843.db2.gz BUOHNRVLFVFWQL-MJBXVCDLSA-N 0 3 380.449 0.807 20 5 GCBDHN C[C@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648566 1205426597 /nfs/dbraw/zinc/42/65/97/1205426597.db2.gz ZBPHUBDRVUODFF-DZGCQCFKSA-N 0 3 377.445 0.761 20 5 GCBDHN NS(=O)(=O)c1ccc(NCC(=O)OCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000747451677 1205598335 /nfs/dbraw/zinc/59/83/35/1205598335.db2.gz MBDZTCZILNMVMR-UHFFFAOYSA-N 0 3 386.430 0.683 20 5 GCBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001132760393 1205650666 /nfs/dbraw/zinc/65/06/66/1205650666.db2.gz BKRDOCWYXSTRAW-KRWDZBQOSA-N 0 3 381.385 0.743 20 5 GCBDHN CC(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103823 1205672666 /nfs/dbraw/zinc/67/26/66/1205672666.db2.gz USWGFCJBNLSVPU-GWCFXTLKSA-N 0 3 387.370 0.956 20 5 GCBDHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(C)[N+](=O)[O-])CC2)cc1 ZINC000813108826 1205673100 /nfs/dbraw/zinc/67/31/00/1205673100.db2.gz BBEPSCYRYJCTSV-CQSZACIVSA-N 0 3 385.442 0.510 20 5 GCBDHN CC(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813108808 1205673284 /nfs/dbraw/zinc/67/32/84/1205673284.db2.gz LXOYROVXYUAQKI-CMPLNLGQSA-N 0 3 398.393 0.832 20 5 GCBDHN N=c1ncc(CN)cn1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697479 1205726669 /nfs/dbraw/zinc/72/66/69/1205726669.db2.gz MKOURMOXMGIUBS-UHFFFAOYSA-N 0 3 392.441 0.755 20 5 GCBDHN CNC(=O)CN1CCCC12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)CC2 ZINC001164684604 719718854 /nfs/dbraw/zinc/71/88/54/719718854.db2.gz ILASHLWCRRZUNC-UHFFFAOYSA-N 0 3 394.432 0.583 20 5 GCBDHN CCN(CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000579884019 530197842 /nfs/dbraw/zinc/19/78/42/530197842.db2.gz IHURTLAUYZXYCR-UHFFFAOYSA-N 0 3 393.487 0.630 20 5 GCBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282968687 530203041 /nfs/dbraw/zinc/20/30/41/530203041.db2.gz IXASMEOQZSCKFU-SSDOTTSWSA-N 0 3 376.778 0.594 20 5 GCBDHN CC(C)(C)NS(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573199498 530295435 /nfs/dbraw/zinc/29/54/35/530295435.db2.gz ZWXRWBIMTBZDKQ-LBPRGKRZSA-N 0 3 375.447 0.642 20 5 GCBDHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000580182813 530323658 /nfs/dbraw/zinc/32/36/58/530323658.db2.gz GYPRBXKKDPRDTH-GFCCVEGCSA-N 0 3 389.459 0.090 20 5 GCBDHN N[C@H]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899348 530350415 /nfs/dbraw/zinc/35/04/15/530350415.db2.gz UHOZNIOVFCZGQG-YPMHNXCESA-N 0 3 397.229 0.670 20 5 GCBDHN CN(C)C[C@H](CO)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590370276 530369902 /nfs/dbraw/zinc/36/99/02/530369902.db2.gz XOGINUIPQLPRRC-SNVBAGLBSA-N 0 3 393.181 0.852 20 5 GCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161415285 530778349 /nfs/dbraw/zinc/77/83/49/530778349.db2.gz FLIPYRZFRXQFMZ-LBPRGKRZSA-N 0 3 396.263 0.948 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000123111791 530816259 /nfs/dbraw/zinc/81/62/59/530816259.db2.gz VGDWGLYYLCNCEW-UHFFFAOYSA-N 0 3 382.364 0.797 20 5 GCBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1I ZINC000423994039 530888038 /nfs/dbraw/zinc/88/80/38/530888038.db2.gz RSWPMYBBSDPERS-SECBINFHSA-N 0 3 391.165 0.918 20 5 GCBDHN O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000738366077 598597172 /nfs/dbraw/zinc/59/71/72/598597172.db2.gz BJTNQISORQRQMO-LLVKDONJSA-N 0 3 385.388 0.682 20 5 GCBDHN O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000738366077 598597174 /nfs/dbraw/zinc/59/71/74/598597174.db2.gz BJTNQISORQRQMO-LLVKDONJSA-N 0 3 385.388 0.682 20 5 GCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000825000327 608150879 /nfs/dbraw/zinc/15/08/79/608150879.db2.gz ONRLLRNDLQQTPQ-WFASDCNBSA-N 0 3 387.448 0.632 20 5 GCBDHN C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824999951 608150883 /nfs/dbraw/zinc/15/08/83/608150883.db2.gz LFOQHXURBSNTPF-GXTWGEPZSA-N 0 3 387.448 0.632 20 5 GCBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[N+](=O)[O-] ZINC000813108241 641780401 /nfs/dbraw/zinc/78/04/01/641780401.db2.gz WLCOZTOPCPIRFV-JTQLQIEISA-N 0 3 376.362 0.669 20 5 GCBDHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110883 641781145 /nfs/dbraw/zinc/78/11/45/641781145.db2.gz LJNOBQAJKORGHH-NSHDSACASA-N 0 3 375.403 0.087 20 5 GCBDHN N[C@H]1C[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568533053 1192306407 /nfs/dbraw/zinc/30/64/07/1192306407.db2.gz OEZHBOMJWQPJHG-NEPJUHHUSA-N 0 3 382.804 0.788 20 5 GCBDHN C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000265044240 1192352317 /nfs/dbraw/zinc/35/23/17/1192352317.db2.gz AGXQHLBXULODAE-HNNXBMFYSA-N 0 3 391.472 0.714 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279101876 1192466661 /nfs/dbraw/zinc/46/66/61/1192466661.db2.gz QZRQFLYGGUVZPB-QGZVFWFLSA-N 0 3 391.384 0.606 20 5 GCBDHN O=C(NC[C@H]1CNCCO1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418773780 1192641300 /nfs/dbraw/zinc/64/13/00/1192641300.db2.gz URERXUOZLMCMDZ-CYBMUJFWSA-N 0 3 377.401 0.051 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000418954155 1192700541 /nfs/dbraw/zinc/70/05/41/1192700541.db2.gz XFEMYTLJJRVNQY-GXFFZTMASA-N 0 3 380.401 0.449 20 5 GCBDHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000500696870 1192711150 /nfs/dbraw/zinc/71/11/50/1192711150.db2.gz SXWHYVCQLODLQQ-HNNXBMFYSA-N 0 3 398.485 0.644 20 5 GCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000549744115 1192867566 /nfs/dbraw/zinc/86/75/66/1192867566.db2.gz FNMRGFOVLKMFOL-CYBMUJFWSA-N 0 3 380.449 0.597 20 5 GCBDHN CN1C[C@H]2[C@@H](CCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000893939970 1192880551 /nfs/dbraw/zinc/88/05/51/1192880551.db2.gz LHCFZRRTINPVDZ-GUYCJALGSA-N 0 3 396.469 0.756 20 5 GCBDHN N[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000573701973 1192910890 /nfs/dbraw/zinc/91/08/90/1192910890.db2.gz ZTBMXNFTGLAFAK-INIZCTEOSA-N 0 3 398.423 0.455 20 5 GCBDHN CCN(CCO)CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000274598713 1184114092 /nfs/dbraw/zinc/11/40/92/1184114092.db2.gz WNJJLUOMMQALGY-UHFFFAOYSA-N 0 3 380.401 0.713 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1CCN(C)C ZINC000510088214 1184277941 /nfs/dbraw/zinc/27/79/41/1184277941.db2.gz SLMIDCXXCNMWLE-UHFFFAOYSA-N 0 3 381.418 0.882 20 5 GCBDHN COCCCN(C)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578928981 1184869753 /nfs/dbraw/zinc/86/97/53/1184869753.db2.gz QCICTAUOYILQOQ-UHFFFAOYSA-N 0 3 378.429 0.564 20 5 GCBDHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000578973611 1184882313 /nfs/dbraw/zinc/88/23/13/1184882313.db2.gz YRKAQWTVLGEOAQ-CQSZACIVSA-N 0 3 376.413 0.269 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2c[nH]c3nccnc23)cc1 ZINC000581639373 1185803210 /nfs/dbraw/zinc/80/32/10/1185803210.db2.gz KXIRKOOKVZNDJC-UHFFFAOYSA-N 0 3 376.398 0.886 20 5 GCBDHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1O ZINC000582012216 1186285811 /nfs/dbraw/zinc/28/58/11/1186285811.db2.gz AARVBHCCFMOKNS-SRVKXCTJSA-N 0 3 382.442 0.394 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000277385322 1186358080 /nfs/dbraw/zinc/35/80/80/1186358080.db2.gz FNJJSDQPUYTVDR-HNNXBMFYSA-N 0 3 376.413 0.982 20 5 GCBDHN Cc1cc(NCCN2CCN(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611921605 1186663648 /nfs/dbraw/zinc/66/36/48/1186663648.db2.gz LGNGIYXDVDWGQB-UHFFFAOYSA-N 0 3 393.469 0.862 20 5 GCBDHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268273 1186863229 /nfs/dbraw/zinc/86/32/29/1186863229.db2.gz IVMWNBFGZGJFCA-OWCLPIDISA-N 0 3 384.429 0.680 20 5 GCBDHN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268271 1186863519 /nfs/dbraw/zinc/86/35/19/1186863519.db2.gz IVMWNBFGZGJFCA-HRCADAONSA-N 0 3 384.429 0.680 20 5 GCBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(N4CCOC4=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000278455354 1186950469 /nfs/dbraw/zinc/95/04/69/1186950469.db2.gz WYTUNLPOWMGOGN-TXEJJXNPSA-N 0 3 396.425 0.734 20 5 GCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCCC1 ZINC000413818332 1187528003 /nfs/dbraw/zinc/52/80/03/1187528003.db2.gz NHMLSWXZSCMRDU-HNNXBMFYSA-N 0 3 393.444 0.357 20 5 GCBDHN CNc1nc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000412324023 1189437256 /nfs/dbraw/zinc/43/72/56/1189437256.db2.gz TXMVGDSDBHSJPC-GFCCVEGCSA-N 0 3 378.433 0.752 20 5 GCBDHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000417689270 1189696973 /nfs/dbraw/zinc/69/69/73/1189696973.db2.gz FYJWIGHAYHEVQU-NEPJUHHUSA-N 0 3 385.446 0.265 20 5 GCBDHN NS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500328177 1189776873 /nfs/dbraw/zinc/77/68/73/1189776873.db2.gz XJCLEPVYWHFWJI-LBPRGKRZSA-N 0 3 385.446 0.429 20 5 GCBDHN NS(=O)(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500328175 1189777313 /nfs/dbraw/zinc/77/73/13/1189777313.db2.gz XJCLEPVYWHFWJI-GFCCVEGCSA-N 0 3 385.446 0.429 20 5 GCBDHN N[C@H]1C[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CCN2C1=O ZINC000566808520 1189825822 /nfs/dbraw/zinc/82/58/22/1189825822.db2.gz SEPPIGHYPWVPAZ-UWVGGRQHSA-N 0 3 385.327 0.972 20 5 GCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420482492 1194231962 /nfs/dbraw/zinc/23/19/62/1194231962.db2.gz UNEPPNGOBXTWSR-CQSZACIVSA-N 0 3 380.430 0.979 20 5 GCBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422124633 1194390467 /nfs/dbraw/zinc/39/04/67/1194390467.db2.gz ZGBOWEJAHYNLKV-AWEZNQCLSA-N 0 3 390.444 0.191 20 5 GCBDHN O=C(C(=O)N1CCCNCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423601029 1194775366 /nfs/dbraw/zinc/77/53/66/1194775366.db2.gz BMIUKLMGBSSXMB-UHFFFAOYSA-N 0 3 376.413 0.787 20 5 GCBDHN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CNCCO1 ZINC000423991958 1194797220 /nfs/dbraw/zinc/79/72/20/1194797220.db2.gz NIDVPSYXYDULMX-HUUCEWRRSA-N 0 3 396.469 0.551 20 5 GCBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423998467 1194798009 /nfs/dbraw/zinc/79/80/09/1194798009.db2.gz ZPRIJJMVJWOEJY-ZBFHGGJFSA-N 0 3 376.413 0.612 20 5 GCBDHN CN(C)S(=O)(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000515347687 1194969572 /nfs/dbraw/zinc/96/95/72/1194969572.db2.gz IERYDXYRHPXNIC-AWEZNQCLSA-N 0 3 383.430 0.192 20 5 GCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCNS(=O)(=O)c1ccccc1 ZINC000519697865 1195563522 /nfs/dbraw/zinc/56/35/22/1195563522.db2.gz JJRWVJIBJJRFNF-CQSZACIVSA-N 0 3 395.437 0.903 20 5 GCBDHN COC(=O)COc1ccc(CNC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991581 1195772831 /nfs/dbraw/zinc/77/28/31/1195772831.db2.gz RVJLZUCATGRONF-BBRMVZONSA-N 0 3 395.412 0.872 20 5 GCBDHN COCCN1CCC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141604669 1195828047 /nfs/dbraw/zinc/82/80/47/1195828047.db2.gz GMPSFQGPTUTTMW-ZDUSSCGKSA-N 0 3 378.429 0.940 20 5 GCBDHN O=C(CNC[C@@H]1CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000429683329 1196076717 /nfs/dbraw/zinc/07/67/17/1196076717.db2.gz QHPSKHTWTPLNDT-LBPRGKRZSA-N 0 3 382.442 0.709 20 5 GCBDHN COC(=O)COc1ccc(CNCCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000474364033 1196112208 /nfs/dbraw/zinc/11/22/08/1196112208.db2.gz ZGNBEYOYZHAGFV-UHFFFAOYSA-N 0 3 394.428 0.400 20 5 GCBDHN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000280895317 1196264783 /nfs/dbraw/zinc/26/47/83/1196264783.db2.gz ZYFMNPGXHRXOHS-UHFFFAOYSA-N 0 3 396.469 0.960 20 5 GCBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H]3CCCN4CCO)cc2n(C)c1=O ZINC000897218056 1196405740 /nfs/dbraw/zinc/40/57/40/1196405740.db2.gz AOQUMBDWSKMYFQ-OLZOCXBDSA-N 0 3 375.429 0.821 20 5 GCBDHN CCN(CCO)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000444363974 1196427376 /nfs/dbraw/zinc/42/73/76/1196427376.db2.gz OUCUTUOMLFZIBJ-UHFFFAOYSA-N 0 3 378.385 0.292 20 5 GCBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523987875 1196570209 /nfs/dbraw/zinc/57/02/09/1196570209.db2.gz MCHQUKHYPFLFRE-CYBMUJFWSA-N 0 3 399.473 0.609 20 5 GCBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(CC3CCOCC3)CC2)c1 ZINC000524052068 1196574298 /nfs/dbraw/zinc/57/42/98/1196574298.db2.gz NXGROPYZEFIBMX-UHFFFAOYSA-N 0 3 384.458 0.791 20 5 GCBDHN CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000525106749 1196649054 /nfs/dbraw/zinc/64/90/54/1196649054.db2.gz VWLUEOODWYNZIH-AWEZNQCLSA-N 0 3 384.458 0.816 20 5 GCBDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743732 1197404556 /nfs/dbraw/zinc/40/45/56/1197404556.db2.gz LYGMWDLXDZMOFJ-IUODEOHRSA-N 0 3 384.458 0.801 20 5 GCBDHN CNc1nc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000455336592 1197456217 /nfs/dbraw/zinc/45/62/17/1197456217.db2.gz ZHSZKSGTASZWJF-AWEZNQCLSA-N 0 3 378.433 0.704 20 5 GCBDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396034 1198977409 /nfs/dbraw/zinc/97/74/09/1198977409.db2.gz VQPRSLIZXYXMKP-WBVHZDCISA-N 0 3 392.456 0.573 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273740418 1199065067 /nfs/dbraw/zinc/06/50/67/1199065067.db2.gz VMRJAVQAFWANBM-UHFFFAOYSA-N 0 3 398.485 0.911 20 5 GCBDHN CNC(=O)c1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301821184 1199393525 /nfs/dbraw/zinc/39/35/25/1199393525.db2.gz LWWLONAARGMGGD-HNNXBMFYSA-N 0 3 375.429 0.873 20 5 GCBDHN COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000331266356 1199868575 /nfs/dbraw/zinc/86/85/75/1199868575.db2.gz CIFXCOSMGGQZGZ-CQSZACIVSA-N 0 3 376.413 0.982 20 5 GCBDHN NC(=O)C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000543494502 1199963762 /nfs/dbraw/zinc/96/37/62/1199963762.db2.gz JZWJCBISKVBQNN-LLVKDONJSA-N 0 3 394.384 0.522 20 5 GCBDHN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CN2CCN1CCC2 ZINC000582974143 1200789106 /nfs/dbraw/zinc/78/91/06/1200789106.db2.gz SZQKZTAANNXDKP-KRWDZBQOSA-N 0 3 399.455 0.846 20 5 GCBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000767262671 1201969362 /nfs/dbraw/zinc/96/93/62/1201969362.db2.gz MQSPXPLTKOUFIJ-AWEZNQCLSA-N 0 3 397.457 0.161 20 5 GCBDHN CC(COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[N+](=O)[O-] ZINC000813101745 1205672677 /nfs/dbraw/zinc/67/26/77/1205672677.db2.gz IFAUSZOXVAKKAK-NSHDSACASA-N 0 3 398.441 0.965 20 5 GCBDHN CC(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103825 1205672756 /nfs/dbraw/zinc/67/27/56/1205672756.db2.gz USWGFCJBNLSVPU-MFKMUULPSA-N 0 3 387.370 0.956 20 5 GCBDHN CC(COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[N+](=O)[O-] ZINC000813101744 1205672778 /nfs/dbraw/zinc/67/27/78/1205672778.db2.gz IFAUSZOXVAKKAK-LLVKDONJSA-N 0 3 398.441 0.965 20 5 GCBDHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(C)[N+](=O)[O-])CC2)cc1 ZINC000813108822 1205673176 /nfs/dbraw/zinc/67/31/76/1205673176.db2.gz BBEPSCYRYJCTSV-AWEZNQCLSA-N 0 3 385.442 0.510 20 5 GCBDHN CCNC(=O)CN(C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695549 1205726676 /nfs/dbraw/zinc/72/66/76/1205726676.db2.gz GIBJSHDGGIOLJQ-UHFFFAOYSA-N 0 3 384.458 0.816 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001173697942 1205726714 /nfs/dbraw/zinc/72/67/14/1205726714.db2.gz XPGFJMNLBYKOLF-CJNGLKHVSA-N 0 3 399.469 0.423 20 5 GCBDHN O=C(NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052602 1205817382 /nfs/dbraw/zinc/81/73/82/1205817382.db2.gz BWVQQOZAYHDSCW-CVEARBPZSA-N 0 3 391.428 0.774 20 5 GCBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC(N[C@H]2CCOC2)C1 ZINC001184371959 1205909050 /nfs/dbraw/zinc/90/90/50/1205909050.db2.gz ZVFXSROEPVBHQN-ZDUSSCGKSA-N 0 3 376.413 0.634 20 5 GCBDHN CN(CCN(C)c1c([N+](=O)[O-])ncn1C)CCN1C(=O)c2ccccc2C1=O ZINC001186854830 1205950640 /nfs/dbraw/zinc/95/06/40/1205950640.db2.gz OUNUBXIQZRXTCF-UHFFFAOYSA-N 0 3 386.412 0.993 20 5 GCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732856 530194226 /nfs/dbraw/zinc/19/42/26/530194226.db2.gz DWEABQWQDHFTLC-MWLCHTKSSA-N 0 3 383.202 0.741 20 5 GCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)C(N)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000584466501 530383600 /nfs/dbraw/zinc/38/36/00/530383600.db2.gz ZONBBALTJCROST-JTQLQIEISA-N 0 3 384.336 0.416 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](CN)C1 ZINC000567986985 530477222 /nfs/dbraw/zinc/47/72/22/530477222.db2.gz LCKOBPTXHUOFNI-SNVBAGLBSA-N 0 3 393.263 0.621 20 5 GCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000590370351 530678383 /nfs/dbraw/zinc/67/83/83/530678383.db2.gz XYCDDBLIUAOSMO-MRVPVSSYSA-N 0 3 393.181 0.852 20 5 GCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590370275 530678389 /nfs/dbraw/zinc/67/83/89/530678389.db2.gz XOGINUIPQLPRRC-JTQLQIEISA-N 0 3 393.181 0.852 20 5 GCBDHN NC[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594451310 530864381 /nfs/dbraw/zinc/86/43/81/530864381.db2.gz KFGKFLVSPAHKMZ-SNVBAGLBSA-N 0 3 384.336 0.269 20 5 GCBDHN COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368639827 530881586 /nfs/dbraw/zinc/88/15/86/530881586.db2.gz YDUIRDLMDJJYPD-IUCAKERBSA-N 0 3 376.366 0.751 20 5 GCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOCC[NH+](C)C ZINC000471641642 530922867 /nfs/dbraw/zinc/92/28/67/530922867.db2.gz GAFFCCVPFMOFOV-UHFFFAOYSA-N 0 3 375.403 0.238 20 5 GCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@H](N)CC(F)F)c([N+](=O)[O-])c1 ZINC000498194124 530940949 /nfs/dbraw/zinc/94/09/49/530940949.db2.gz DTEMXXSQDYCRLT-SECBINFHSA-N 0 3 380.373 0.509 20 5 GCBDHN O=C(C[C@@H]1CSCCN1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262823113 531072306 /nfs/dbraw/zinc/07/23/06/531072306.db2.gz SWOKMOWVYHRIPM-LLVKDONJSA-N 0 3 388.471 0.084 20 5 GCBDHN O=C(C[C@@H]1CSCCN1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262835555 531072586 /nfs/dbraw/zinc/07/25/86/531072586.db2.gz WFMAHEPATCBKBF-LLVKDONJSA-N 0 3 388.471 0.084 20 5 GCBDHN Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1[C@H]1CCC[NH2+]C1 ZINC000737594081 599267110 /nfs/dbraw/zinc/26/71/10/599267110.db2.gz VZOSYBPULFBWBK-QMMMGPOBSA-N 0 3 388.417 0.917 20 5 GCBDHN CN1CCN(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863530 598337322 /nfs/dbraw/zinc/33/73/22/598337322.db2.gz LKYDAIHFUAHPRK-CQSZACIVSA-N 0 3 388.432 0.228 20 5 GCBDHN CN(C)C(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736745755 598580255 /nfs/dbraw/zinc/58/02/55/598580255.db2.gz BRBPPHPSSLNKKX-UHFFFAOYSA-N 0 3 389.420 0.525 20 5 GCBDHN CN(C)C(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736745755 598580256 /nfs/dbraw/zinc/58/02/56/598580256.db2.gz BRBPPHPSSLNKKX-UHFFFAOYSA-N 0 3 389.420 0.525 20 5 GCBDHN C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821621875 607126305 /nfs/dbraw/zinc/12/63/05/607126305.db2.gz JRROAZVEMSBPRU-VIFPVBQESA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821621875 607126307 /nfs/dbraw/zinc/12/63/07/607126307.db2.gz JRROAZVEMSBPRU-VIFPVBQESA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821621875 607126309 /nfs/dbraw/zinc/12/63/09/607126309.db2.gz JRROAZVEMSBPRU-VIFPVBQESA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821621875 607126311 /nfs/dbraw/zinc/12/63/11/607126311.db2.gz JRROAZVEMSBPRU-VIFPVBQESA-N 0 3 388.417 0.864 20 5 GCBDHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813111261 641781011 /nfs/dbraw/zinc/78/10/11/641781011.db2.gz FHDXHGOMXWNJCW-VIFPVBQESA-N 0 3 375.403 0.901 20 5 GCBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CNCCO2)ccc1Br ZINC000842483170 642338026 /nfs/dbraw/zinc/33/80/26/642338026.db2.gz GCILKULJXSGVSD-QMMMGPOBSA-N 0 3 380.220 0.624 20 5 GCBDHN COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000850593423 642685034 /nfs/dbraw/zinc/68/50/34/642685034.db2.gz QEANLNKSRVJVNP-NXEZZACHSA-N 0 3 376.366 0.833 20 5 GCBDHN COc1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000106267390 1192363470 /nfs/dbraw/zinc/36/34/70/1192363470.db2.gz JGLAGDRWTLXELF-UHFFFAOYSA-N 0 3 386.474 0.909 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000570626868 1192411918 /nfs/dbraw/zinc/41/19/18/1192411918.db2.gz JKMBOPZAMAXCNV-CZUORRHYSA-N 0 3 377.401 0.752 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000728908422 1192590849 /nfs/dbraw/zinc/59/08/49/1192590849.db2.gz GBXQNQJTCFJJRA-UHFFFAOYSA-N 0 3 377.445 0.945 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000418954156 1192700430 /nfs/dbraw/zinc/70/04/30/1192700430.db2.gz XFEMYTLJJRVNQY-MFKMUULPSA-N 0 3 380.401 0.449 20 5 GCBDHN CN1CCN(CCCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000609761553 1184490480 /nfs/dbraw/zinc/49/04/80/1184490480.db2.gz PSCFVSKUGXGHLC-UHFFFAOYSA-N 0 3 397.863 0.732 20 5 GCBDHN CN(C)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275231647 1184560783 /nfs/dbraw/zinc/56/07/83/1184560783.db2.gz JKFAIYSRYMCUDX-ZDUSSCGKSA-N 0 3 384.458 0.962 20 5 GCBDHN N[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000261698913 1185235423 /nfs/dbraw/zinc/23/54/23/1185235423.db2.gz HZCSVDPPJSQENM-INIZCTEOSA-N 0 3 376.413 0.633 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(=O)N1CCNCC1 ZINC000430604060 1185688239 /nfs/dbraw/zinc/68/82/39/1185688239.db2.gz LSLONQBQAWQTEN-UHFFFAOYSA-N 0 3 379.417 0.296 20 5 GCBDHN CN1C(=O)C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000276902490 1186142168 /nfs/dbraw/zinc/14/21/68/1186142168.db2.gz HXVMVNMOLSYLOU-ISTRZQFTSA-N 0 3 395.366 0.992 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000277385327 1186357926 /nfs/dbraw/zinc/35/79/26/1186357926.db2.gz FNJJSDQPUYTVDR-OAHLLOKOSA-N 0 3 376.413 0.982 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000582138115 1186435884 /nfs/dbraw/zinc/43/58/84/1186435884.db2.gz ZGKHOBXJAYEORW-GUYCJALGSA-N 0 3 380.449 0.400 20 5 GCBDHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000263693485 1186463687 /nfs/dbraw/zinc/46/36/87/1186463687.db2.gz KENVBVXGKMHCQD-CQSZACIVSA-N 0 3 396.469 0.770 20 5 GCBDHN Cc1nn(CCC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(C)c1[N+](=O)[O-] ZINC000263714599 1186465073 /nfs/dbraw/zinc/46/50/73/1186465073.db2.gz APQTUILSRVFHAY-OAHLLOKOSA-N 0 3 394.476 0.857 20 5 GCBDHN CCOC(=O)c1nnc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)[n-]1 ZINC000277861178 1186653444 /nfs/dbraw/zinc/65/34/44/1186653444.db2.gz UGFYOUIBFYLEBO-ZDUSSCGKSA-N 0 3 393.404 0.327 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583452040 1186856672 /nfs/dbraw/zinc/85/66/72/1186856672.db2.gz QPKBMLKZMPXUMI-DRZSPHRISA-N 0 3 377.401 0.174 20 5 GCBDHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388883 1186925505 /nfs/dbraw/zinc/92/55/05/1186925505.db2.gz VBIFQMCUSOAQNO-UWWQBHOKSA-N 0 3 384.429 0.680 20 5 GCBDHN COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000584064580 1186992759 /nfs/dbraw/zinc/99/27/59/1186992759.db2.gz HQKJIUDSUUWNBW-GVXVVHGQSA-N 0 3 377.401 0.174 20 5 GCBDHN CCN1CCN(CCNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000611842088 1187048540 /nfs/dbraw/zinc/04/85/40/1187048540.db2.gz YGFNGMRGGLAWMG-UHFFFAOYSA-N 0 3 393.444 0.087 20 5 GCBDHN N[C@H]1C[C@@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658578 1187695163 /nfs/dbraw/zinc/69/51/63/1187695163.db2.gz HVEDVTDBVPPMQO-CABCVRRESA-N 0 3 375.429 0.175 20 5 GCBDHN NC(=O)C[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377609337 1188087292 /nfs/dbraw/zinc/08/72/92/1188087292.db2.gz YPFVPNWVKSVKIS-CQSZACIVSA-N 0 3 375.429 0.441 20 5 GCBDHN C[C@@]1(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000377905081 1189368350 /nfs/dbraw/zinc/36/83/50/1189368350.db2.gz JBKOSKFNEWZMNG-KDOFPFPSSA-N 0 3 392.412 0.645 20 5 GCBDHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000417288186 1189640980 /nfs/dbraw/zinc/64/09/80/1189640980.db2.gz XXWBOOOYMUXIEW-NEPJUHHUSA-N 0 3 385.446 0.265 20 5 GCBDHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482625 1189669563 /nfs/dbraw/zinc/66/95/63/1189669563.db2.gz VQHAPFLHBMIIHJ-RHSMWYFYSA-N 0 3 380.401 0.301 20 5 GCBDHN CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000566493808 1189694248 /nfs/dbraw/zinc/69/42/48/1189694248.db2.gz ICDCLOVLDRRFHL-WCQYABFASA-N 0 3 377.401 0.176 20 5 GCBDHN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000452577008 1189703296 /nfs/dbraw/zinc/70/32/96/1189703296.db2.gz HMQHFSNMKNSCEQ-NSHDSACASA-N 0 3 382.442 0.799 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947007 1189774589 /nfs/dbraw/zinc/77/45/89/1189774589.db2.gz HUKNNKCOFNLQPD-HUUCEWRRSA-N 0 3 391.472 0.855 20 5 GCBDHN O=C1CN([C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906920 1189820860 /nfs/dbraw/zinc/82/08/60/1189820860.db2.gz RMZGLNQQLDMKGD-ZFWWWQNUSA-N 0 3 386.412 0.685 20 5 GCBDHN CCN(CCO)CCNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274695313 1193900818 /nfs/dbraw/zinc/90/08/18/1193900818.db2.gz WGWVGVZVKVDSLB-UHFFFAOYSA-N 0 3 384.433 0.768 20 5 GCBDHN COc1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543002414 1193918308 /nfs/dbraw/zinc/91/83/08/1193918308.db2.gz BCEPWSOJMKXOTB-UHFFFAOYSA-N 0 3 393.444 0.686 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044148 1194167402 /nfs/dbraw/zinc/16/74/02/1194167402.db2.gz SOSGSZQKJDTMPB-NHYWBVRUSA-N 0 3 392.412 0.414 20 5 GCBDHN CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC000420471454 1194230387 /nfs/dbraw/zinc/23/03/87/1194230387.db2.gz AQHYZTGXBJBJLN-LLVKDONJSA-N 0 3 387.414 0.347 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000366946865 1194337788 /nfs/dbraw/zinc/33/77/88/1194337788.db2.gz UIWNZFXXUUDVEA-ZIAGYGMSSA-N 0 3 392.412 0.911 20 5 GCBDHN CC(C)[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000421985784 1194375471 /nfs/dbraw/zinc/37/54/71/1194375471.db2.gz JTGDVYGRPZPYLK-OAHLLOKOSA-N 0 3 386.474 0.918 20 5 GCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000421992328 1194376224 /nfs/dbraw/zinc/37/62/24/1194376224.db2.gz QQCNZBBOJMGWQK-INIZCTEOSA-N 0 3 396.469 0.958 20 5 GCBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422098409 1194384142 /nfs/dbraw/zinc/38/41/42/1194384142.db2.gz JVDNNRLUUJJBRM-OAHLLOKOSA-N 0 3 389.456 0.796 20 5 GCBDHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041719830 1194702163 /nfs/dbraw/zinc/70/21/63/1194702163.db2.gz MEYJBRVZZRYXKL-UHFFFAOYSA-N 0 3 377.445 0.986 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1=O ZINC000425308483 1194907901 /nfs/dbraw/zinc/90/79/01/1194907901.db2.gz BZZBHFVSZMESQJ-CQSZACIVSA-N 0 3 378.429 0.812 20 5 GCBDHN CNc1c(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)cccc1[N+](=O)[O-] ZINC000425315728 1194911430 /nfs/dbraw/zinc/91/14/30/1194911430.db2.gz KTFHSYXWZCHSKF-ZDUSSCGKSA-N 0 3 393.444 0.545 20 5 GCBDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000439937983 1195368485 /nfs/dbraw/zinc/36/84/85/1195368485.db2.gz CSPRMLTWUQDZOI-FZMZJTMJSA-N 0 3 383.430 0.493 20 5 GCBDHN COC(=O)COc1ccc(CNC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991594 1195773043 /nfs/dbraw/zinc/77/30/43/1195773043.db2.gz RVJLZUCATGRONF-XJKSGUPXSA-N 0 3 395.412 0.872 20 5 GCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506239 1195777503 /nfs/dbraw/zinc/77/75/03/1195777503.db2.gz OVZDXSMOBVGTGG-HZPDHXFCSA-N 0 3 390.444 0.685 20 5 GCBDHN CNS(=O)(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000438999951 1195996168 /nfs/dbraw/zinc/99/61/68/1195996168.db2.gz MVCMGOSABRGITM-UHFFFAOYSA-N 0 3 399.473 0.750 20 5 GCBDHN CNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000151620549 1196063761 /nfs/dbraw/zinc/06/37/61/1196063761.db2.gz MQCBRKNWQVLXFY-HNNXBMFYSA-N 0 3 375.429 0.697 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000281198905 1196283405 /nfs/dbraw/zinc/28/34/05/1196283405.db2.gz PBVKWKQBIPAESL-UHFFFAOYSA-N 0 3 379.417 0.767 20 5 GCBDHN CN1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281634975 1196315810 /nfs/dbraw/zinc/31/58/10/1196315810.db2.gz ABJVKYFXFPIKKX-UHFFFAOYSA-N 0 3 391.472 0.857 20 5 GCBDHN CNS(=O)(=O)c1ccc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281686239 1196322797 /nfs/dbraw/zinc/32/27/97/1196322797.db2.gz RGVDZRNUPBKPCL-UHFFFAOYSA-N 0 3 385.490 0.941 20 5 GCBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281820562 1196337251 /nfs/dbraw/zinc/33/72/51/1196337251.db2.gz RBGDTAQJWIVXJP-UHFFFAOYSA-N 0 3 391.472 0.775 20 5 GCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000449144844 1196857643 /nfs/dbraw/zinc/85/76/43/1196857643.db2.gz UXHJZYNCFBIRKT-UNEWFSDZSA-N 0 3 383.470 0.613 20 5 GCBDHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCn1ccc([N+](=O)[O-])n1 ZINC000451988365 1197029560 /nfs/dbraw/zinc/02/95/60/1197029560.db2.gz NIUFLNOGZSTTIS-UHFFFAOYSA-N 0 3 387.393 0.589 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452383096 1197055949 /nfs/dbraw/zinc/05/59/49/1197055949.db2.gz OFFMNHPYASVXRM-KBPBESRZSA-N 0 3 382.465 0.790 20 5 GCBDHN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000520185543 1197083413 /nfs/dbraw/zinc/08/34/13/1197083413.db2.gz ZDDOVCXRYWSDHU-LBPRGKRZSA-N 0 3 382.442 0.616 20 5 GCBDHN CNc1nc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000455336593 1197456091 /nfs/dbraw/zinc/45/60/91/1197456091.db2.gz ZHSZKSGTASZWJF-CQSZACIVSA-N 0 3 378.433 0.704 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000543496864 1199963056 /nfs/dbraw/zinc/96/30/56/1199963056.db2.gz NEDBGIQFWBJSGO-AWEZNQCLSA-N 0 3 380.401 0.802 20 5 GCBDHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000174650037 1200402986 /nfs/dbraw/zinc/40/29/86/1200402986.db2.gz AWLJQVCTOUMZQY-HNNXBMFYSA-N 0 3 389.456 0.654 20 5 GCBDHN CNc1nccc(C(=O)NCCCN2CCC(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC000566923838 1200739783 /nfs/dbraw/zinc/73/97/83/1200739783.db2.gz KQRNGLHRJTWPFE-UHFFFAOYSA-N 0 3 379.417 1.036 20 5 GCBDHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855666 1201704035 /nfs/dbraw/zinc/70/40/35/1201704035.db2.gz MHGXGNXBGIRILG-NWDGAFQWSA-N 0 3 398.441 0.144 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000808270252 1205604455 /nfs/dbraw/zinc/60/44/55/1205604455.db2.gz UKMZDHCVPQFWQI-LLVKDONJSA-N 0 3 397.407 0.225 20 5 GCBDHN COC(=O)C(C(=O)OC)c1cc(N[C@@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170572650 1205619433 /nfs/dbraw/zinc/61/94/33/1205619433.db2.gz HPRVRUJCBWRXMQ-HZMBPMFUSA-N 0 3 381.385 0.813 20 5 GCBDHN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)CC1 ZINC000813115592 1205673300 /nfs/dbraw/zinc/67/33/00/1205673300.db2.gz WALXAVMEACHVFK-LBPRGKRZSA-N 0 3 399.425 0.361 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC001173695809 1205726793 /nfs/dbraw/zinc/72/67/93/1205726793.db2.gz IEAVKKVOEMGAKE-CJNGLKHVSA-N 0 3 399.469 0.423 20 5 GCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262342399 530220913 /nfs/dbraw/zinc/22/09/13/530220913.db2.gz SXHFSVVEDGTIMQ-GFCCVEGCSA-N 0 3 382.364 0.709 20 5 GCBDHN N[C@H]1C[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592014 530500691 /nfs/dbraw/zinc/50/06/91/530500691.db2.gz QJBIQMHCSWDTNO-RYUDHWBXSA-N 0 3 383.202 0.741 20 5 GCBDHN CC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)S(C)(=O)=O ZINC000053016826 530495444 /nfs/dbraw/zinc/49/54/44/530495444.db2.gz VXGMDIJQYHYJBT-SECBINFHSA-N 0 3 375.428 0.374 20 5 GCBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420471116 530869623 /nfs/dbraw/zinc/86/96/23/530869623.db2.gz AKVSBHADELMRFV-JTQLQIEISA-N 0 3 380.220 0.624 20 5 GCBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCO1 ZINC000420485277 530870475 /nfs/dbraw/zinc/87/04/75/530870475.db2.gz ZMQWOVBMNUFRLR-SECBINFHSA-N 0 3 380.220 0.624 20 5 GCBDHN CSCC[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000496202854 530939056 /nfs/dbraw/zinc/93/90/56/530939056.db2.gz JHFUEAPTOIDFFY-LLVKDONJSA-N 0 3 390.487 0.607 20 5 GCBDHN C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821622310 607126190 /nfs/dbraw/zinc/12/61/90/607126190.db2.gz YTWXVLSBMIUPIK-SECBINFHSA-N 0 3 388.417 0.864 20 5 GCBDHN C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821622310 607126192 /nfs/dbraw/zinc/12/61/92/607126192.db2.gz YTWXVLSBMIUPIK-SECBINFHSA-N 0 3 388.417 0.864 20 5 GCBDHN CCOc1cc(N2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)ccc1[N+](=O)[O-] ZINC000418768112 1192641225 /nfs/dbraw/zinc/64/12/25/1192641225.db2.gz OTQJMDBUMBJRIQ-HNNXBMFYSA-N 0 3 393.444 0.814 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000418954153 1192700697 /nfs/dbraw/zinc/70/06/97/1192700697.db2.gz XFEMYTLJJRVNQY-GWCFXTLKSA-N 0 3 380.401 0.449 20 5 GCBDHN Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000573578890 1192907735 /nfs/dbraw/zinc/90/77/35/1192907735.db2.gz YCJNFRUYUXDCQW-CHWSQXEVSA-N 0 3 384.396 0.308 20 5 GCBDHN CCN(CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274566560 1184101988 /nfs/dbraw/zinc/10/19/88/1184101988.db2.gz QEJWJEMWCSSQAD-KRWDZBQOSA-N 0 3 392.456 0.938 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000582138114 1186436243 /nfs/dbraw/zinc/43/62/43/1186436243.db2.gz ZGKHOBXJAYEORW-DYVFJYSZSA-N 0 3 380.449 0.400 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264095844 1186580876 /nfs/dbraw/zinc/58/08/76/1186580876.db2.gz HIYZHGOXKLXFJV-KRWDZBQOSA-N 0 3 394.472 0.821 20 5 GCBDHN COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000278337069 1186895572 /nfs/dbraw/zinc/89/55/72/1186895572.db2.gz GXGOFUQXXNHCLW-PHIMTYICSA-N 0 3 384.414 0.955 20 5 GCBDHN COc1cc(C(=O)NCCCCN2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000536180293 1186973842 /nfs/dbraw/zinc/97/38/42/1186973842.db2.gz MPMCACVBRHJPDH-UHFFFAOYSA-N 0 3 380.445 0.723 20 5 GCBDHN CC(C)N(C)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052875867 1187015495 /nfs/dbraw/zinc/01/54/95/1187015495.db2.gz FTIYQESKROEWHQ-UHFFFAOYSA-N 0 3 398.485 0.987 20 5 GCBDHN Cc1ccc(NCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000581619483 1187716888 /nfs/dbraw/zinc/71/68/88/1187716888.db2.gz YCXOAHYXCQSKOJ-ZIAGYGMSSA-N 0 3 390.444 0.659 20 5 GCBDHN C[C@]1(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000377905090 1189368535 /nfs/dbraw/zinc/36/85/35/1189368535.db2.gz JBKOSKFNEWZMNG-RDTXWAMCSA-N 0 3 392.412 0.645 20 5 GCBDHN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000417288189 1189640562 /nfs/dbraw/zinc/64/05/62/1189640562.db2.gz XXWBOOOYMUXIEW-RYUDHWBXSA-N 0 3 385.446 0.265 20 5 GCBDHN CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000417289337 1189640960 /nfs/dbraw/zinc/64/09/60/1189640960.db2.gz ZYSDCZIOSYQCJN-UHFFFAOYSA-N 0 3 385.446 0.267 20 5 GCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417336320 1189649047 /nfs/dbraw/zinc/64/90/47/1189649047.db2.gz HOAXSZIRFVMNJN-NWDGAFQWSA-N 0 3 385.446 0.265 20 5 GCBDHN CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000566493807 1189694731 /nfs/dbraw/zinc/69/47/31/1189694731.db2.gz ICDCLOVLDRRFHL-DGCLKSJQSA-N 0 3 377.401 0.176 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947008 1189774246 /nfs/dbraw/zinc/77/42/46/1189774246.db2.gz HUKNNKCOFNLQPD-GJZGRUSLSA-N 0 3 391.472 0.855 20 5 GCBDHN O=C1CN([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906905 1189820473 /nfs/dbraw/zinc/82/04/73/1189820473.db2.gz RMZGLNQQLDMKGD-DZGCQCFKSA-N 0 3 386.412 0.685 20 5 GCBDHN CCN1CCC[C@@H](CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1cnn(C)c1 ZINC000433270300 1193796056 /nfs/dbraw/zinc/79/60/56/1193796056.db2.gz KFXMXQJESMOVEV-XJKSGUPXSA-N 0 3 390.448 0.851 20 5 GCBDHN CCN1CCN(CCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000513016438 1193826940 /nfs/dbraw/zinc/82/69/40/1193826940.db2.gz CXMBLGCASAAQEQ-UHFFFAOYSA-N 0 3 387.444 0.933 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348766 1193842428 /nfs/dbraw/zinc/84/24/28/1193842428.db2.gz LORXKPRICALBQU-TVQRCGJNSA-N 0 3 390.400 0.317 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044147 1194167668 /nfs/dbraw/zinc/16/76/68/1194167668.db2.gz SOSGSZQKJDTMPB-IAQYHMDHSA-N 0 3 392.412 0.414 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](CO)CN1CCCCC1 ZINC000413808013 1194343673 /nfs/dbraw/zinc/34/36/73/1194343673.db2.gz HMLBCYCGWIAPMN-CQSZACIVSA-N 0 3 379.413 0.872 20 5 GCBDHN C[C@H]1CCN(C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502815927 1194359109 /nfs/dbraw/zinc/35/91/09/1194359109.db2.gz XKIZSBCXTMPRII-ZDUSSCGKSA-N 0 3 399.473 0.609 20 5 GCBDHN C[C@H]1CCN(C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502815575 1194359231 /nfs/dbraw/zinc/35/92/31/1194359231.db2.gz VLRRIGROTCIMNR-ZDUSSCGKSA-N 0 3 399.473 0.609 20 5 GCBDHN CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000422932824 1194709377 /nfs/dbraw/zinc/70/93/77/1194709377.db2.gz GXFYUWJOYPWMPT-INIZCTEOSA-N 0 3 396.469 0.774 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1=O ZINC000425320040 1194912957 /nfs/dbraw/zinc/91/29/57/1194912957.db2.gz QLZYABBVNAGHSP-CQSZACIVSA-N 0 3 394.428 0.512 20 5 GCBDHN Cn1cc(C[C@@H](CO)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000516770832 1195093673 /nfs/dbraw/zinc/09/36/73/1195093673.db2.gz SVNUTCRGKXXZBK-CQSZACIVSA-N 0 3 382.442 0.543 20 5 GCBDHN COCCN1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000140338090 1195336064 /nfs/dbraw/zinc/33/60/64/1195336064.db2.gz WLPZBJRJGHOOPX-UHFFFAOYSA-N 0 3 392.460 0.932 20 5 GCBDHN COCCN1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000520412447 1195631639 /nfs/dbraw/zinc/63/16/39/1195631639.db2.gz AVLYCODQXPQEAO-UHFFFAOYSA-N 0 3 392.412 0.547 20 5 GCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506240 1195777523 /nfs/dbraw/zinc/77/75/23/1195777523.db2.gz OVZDXSMOBVGTGG-JKSUJKDBSA-N 0 3 390.444 0.685 20 5 GCBDHN CN(C)CCN1C[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC000427979657 1195902434 /nfs/dbraw/zinc/90/24/34/1195902434.db2.gz PURXLOAHRWPJKK-CQSZACIVSA-N 0 3 376.413 0.726 20 5 GCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521499125 1195998751 /nfs/dbraw/zinc/99/87/51/1195998751.db2.gz XGFOFYLJTWQCHS-ZDUSSCGKSA-N 0 3 392.412 0.996 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443296632 1196036897 /nfs/dbraw/zinc/03/68/97/1196036897.db2.gz QCUYIKMAWBGPOC-AWEZNQCLSA-N 0 3 387.458 0.975 20 5 GCBDHN COc1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281704154 1196323976 /nfs/dbraw/zinc/32/39/76/1196323976.db2.gz ALBTVHZIZAOFBR-UHFFFAOYSA-N 0 3 386.474 0.908 20 5 GCBDHN C[C@H]1CCN(C)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523987876 1196570266 /nfs/dbraw/zinc/57/02/66/1196570266.db2.gz MCHQUKHYPFLFRE-ZDUSSCGKSA-N 0 3 399.473 0.609 20 5 GCBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)cc1OC ZINC000546587458 1196575128 /nfs/dbraw/zinc/57/51/28/1196575128.db2.gz VXDBNEPBXZBIQP-QGZVFWFLSA-N 0 3 383.401 0.425 20 5 GCBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000546587457 1196575350 /nfs/dbraw/zinc/57/53/50/1196575350.db2.gz VXDBNEPBXZBIQP-KRWDZBQOSA-N 0 3 383.401 0.425 20 5 GCBDHN CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000525523130 1196687924 /nfs/dbraw/zinc/68/79/24/1196687924.db2.gz RSIJQJVNVRSVNA-AWEZNQCLSA-N 0 3 384.458 0.768 20 5 GCBDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194539 1196692140 /nfs/dbraw/zinc/69/21/40/1196692140.db2.gz ZCOUTBOSGBGVHJ-SMDDNHRTSA-N 0 3 383.430 0.493 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CCCN(CCCO)C1 ZINC000452383578 1197055376 /nfs/dbraw/zinc/05/53/76/1197055376.db2.gz PAHHZNXVISFSCS-CQSZACIVSA-N 0 3 379.413 0.872 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CCCN(CCCO)C1 ZINC000452383576 1197055394 /nfs/dbraw/zinc/05/53/94/1197055394.db2.gz PAHHZNXVISFSCS-AWEZNQCLSA-N 0 3 379.413 0.872 20 5 GCBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000531976422 1197105736 /nfs/dbraw/zinc/10/57/36/1197105736.db2.gz ZCHNVVYRHMTGLV-ZDUSSCGKSA-N 0 3 390.396 0.702 20 5 GCBDHN COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000453915199 1197153015 /nfs/dbraw/zinc/15/30/15/1197153015.db2.gz JIJAQTPXCDYOLJ-XHDPSFHLSA-N 0 3 390.396 0.791 20 5 GCBDHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000532636797 1197351020 /nfs/dbraw/zinc/35/10/20/1197351020.db2.gz ZOWWLINQLOSCJZ-UHFFFAOYSA-N 0 3 390.400 0.616 20 5 GCBDHN C[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265819251 1199437458 /nfs/dbraw/zinc/43/74/58/1199437458.db2.gz OCRNAILUXKSMGC-AWEZNQCLSA-N 0 3 396.469 0.912 20 5 GCBDHN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CN2CCN1CCC2 ZINC000582974144 1200788873 /nfs/dbraw/zinc/78/88/73/1200788873.db2.gz SZQKZTAANNXDKP-QGZVFWFLSA-N 0 3 399.455 0.846 20 5 GCBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000611242487 1201225681 /nfs/dbraw/zinc/22/56/81/1201225681.db2.gz GLJLNDZYBGJWCW-CQSZACIVSA-N 0 3 397.457 0.161 20 5 GCBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000731621065 1201491157 /nfs/dbraw/zinc/49/11/57/1201491157.db2.gz CNEKIDCIEKCIPP-UONOGXRCSA-N 0 3 393.396 0.774 20 5 GCBDHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855667 1201703783 /nfs/dbraw/zinc/70/37/83/1201703783.db2.gz MHGXGNXBGIRILG-RYUDHWBXSA-N 0 3 398.441 0.144 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000808270079 1205604537 /nfs/dbraw/zinc/60/45/37/1205604537.db2.gz RJFLPWSXSWUOIO-CYBMUJFWSA-N 0 3 379.417 0.086 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270797 1205604962 /nfs/dbraw/zinc/60/49/62/1205604962.db2.gz LAOVDLZQUFOHGD-KQQSKNTNSA-N 0 3 390.440 0.903 20 5 GCBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000747588763 1205633483 /nfs/dbraw/zinc/63/34/83/1205633483.db2.gz PMDAZDLFDNCITQ-UHFFFAOYSA-N 0 3 391.472 0.799 20 5 GCBDHN CN(CC(=O)N[C@@]12CCN(C1)CCC2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001132468487 1205643230 /nfs/dbraw/zinc/64/32/30/1205643230.db2.gz JCIGXSIUUFAPMH-INIZCTEOSA-N 0 3 382.442 0.570 20 5 GCBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001132976401 1205655332 /nfs/dbraw/zinc/65/53/32/1205655332.db2.gz CUYARKCMRXHFOO-GOSISDBHSA-N 0 3 395.412 0.801 20 5 GCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813102997 1205672774 /nfs/dbraw/zinc/67/27/74/1205672774.db2.gz XKJDHIHPJZTJRG-NSHDSACASA-N 0 3 388.398 0.725 20 5 GCBDHN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)CC1 ZINC000813115591 1205673234 /nfs/dbraw/zinc/67/32/34/1205673234.db2.gz WALXAVMEACHVFK-GFCCVEGCSA-N 0 3 399.425 0.361 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2C[C@H](O)C[C@@H]2CO)CC1 ZINC001173694533 1205726739 /nfs/dbraw/zinc/72/67/39/1205726739.db2.gz UKZIKKNZMSVCDP-ZIAGYGMSSA-N 0 3 385.442 0.175 20 5 GCBDHN COc1ccc(OCCN2CCC3(CC2)C[C@@H](O)CNC3=O)c([N+](=O)[O-])c1 ZINC001176719001 1205752885 /nfs/dbraw/zinc/75/28/85/1205752885.db2.gz RATKDLFCBRMCTO-CYBMUJFWSA-N 0 3 379.413 0.945 20 5 GCBDHN O=Cc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001180054461 1205817351 /nfs/dbraw/zinc/81/73/51/1205817351.db2.gz NUJJDUBNTWRHNV-GJZGRUSLSA-N 0 3 377.397 0.844 20 5 GCBDHN CN(CCO)CCN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001187023995 1205953708 /nfs/dbraw/zinc/95/37/08/1205953708.db2.gz BGMKKZUUAZRSSF-UHFFFAOYSA-N 0 3 386.474 0.740 20 5 GCBDHN CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001187824130 1205969470 /nfs/dbraw/zinc/96/94/70/1205969470.db2.gz OMJDOGDCXXDXGR-HUUCEWRRSA-N 0 3 398.485 0.881 20 5 GCBDHN CNC(=O)CN1CCCC12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164684752 719724280 /nfs/dbraw/zinc/72/42/80/719724280.db2.gz KHUDOHJLWRPXPD-UHFFFAOYSA-N 0 3 391.428 0.957 20 5 GCBDHN CNC(=O)CN1CCCC12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164692575 719755938 /nfs/dbraw/zinc/75/59/38/719755938.db2.gz VGFOWYSBZLEKOP-UHFFFAOYSA-N 0 3 391.428 0.957 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261932087 530194769 /nfs/dbraw/zinc/19/47/69/530194769.db2.gz ZZVQFIARZDLWPP-LBPRGKRZSA-N 0 3 382.364 0.709 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c(Br)c1 ZINC000440351612 530687183 /nfs/dbraw/zinc/68/71/83/530687183.db2.gz SOZHUZLORXHVQG-UHFFFAOYSA-N 0 3 393.263 0.541 20 5 GCBDHN NC[C@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524285 530867916 /nfs/dbraw/zinc/86/79/16/530867916.db2.gz HYFBUUGZQNGXCI-JTQLQIEISA-N 0 3 384.336 0.557 20 5 GCBDHN CSCC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262091064 530955431 /nfs/dbraw/zinc/95/54/31/530955431.db2.gz AAUOTMMWGUYLFV-LBPRGKRZSA-N 0 3 376.460 0.070 20 5 GCBDHN CSCC[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262297101 530975294 /nfs/dbraw/zinc/97/52/94/530975294.db2.gz JHFUEAPTOIDFFY-NSHDSACASA-N 0 3 390.487 0.607 20 5 GCBDHN CN(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000576169810 530990211 /nfs/dbraw/zinc/99/02/11/530990211.db2.gz SNCYUVGRQJIVCS-STQMWFEESA-N 0 3 387.234 0.903 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826389626 608436176 /nfs/dbraw/zinc/43/61/76/608436176.db2.gz CQKAPXVLHSATGO-ZDUSSCGKSA-N 0 3 387.404 0.088 20 5 GCBDHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826389626 608436177 /nfs/dbraw/zinc/43/61/77/608436177.db2.gz CQKAPXVLHSATGO-ZDUSSCGKSA-N 0 3 387.404 0.088 20 5 GCBDHN CS(=O)(=O)N1CCN(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892937489 638601958 /nfs/dbraw/zinc/60/19/58/638601958.db2.gz TWJIBRCAMVVVSL-UHFFFAOYSA-N 0 3 376.866 0.915 20 5 GCBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1I ZINC000701034557 640123255 /nfs/dbraw/zinc/12/32/55/640123255.db2.gz MRPCNZBSNOSFIV-VIFPVBQESA-N 0 3 391.165 0.918 20 5 GCBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000716749329 641628874 /nfs/dbraw/zinc/62/88/74/641628874.db2.gz HIAVGRVMICHPAJ-MRVPVSSYSA-N 0 3 393.181 0.852 20 5 GCBDHN COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193362698 642058383 /nfs/dbraw/zinc/05/83/83/642058383.db2.gz HFFATGXUFNBXJX-UHFFFAOYSA-N 0 3 382.236 0.872 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC1CCS(=O)(=O)CC1 ZINC000463118988 677372174 /nfs/dbraw/zinc/37/21/74/677372174.db2.gz MEBHQGHERYHSGR-UHFFFAOYSA-N 0 3 377.444 0.040 20 5 GCBDHN CCN1CCN(CCNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000112918113 1192208785 /nfs/dbraw/zinc/20/87/85/1192208785.db2.gz OTGAXODJKDDGGC-UHFFFAOYSA-N 0 3 387.444 0.851 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718770 1192397394 /nfs/dbraw/zinc/39/73/94/1192397394.db2.gz XMHZTODFECCOFE-QZTJIDSGSA-N 0 3 376.413 0.806 20 5 GCBDHN C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000512142037 1192472287 /nfs/dbraw/zinc/47/22/87/1192472287.db2.gz GJHXVXSGJZJWBC-ZDUSSCGKSA-N 0 3 396.469 0.982 20 5 GCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H](CO)CN1CCCCC1 ZINC000512395371 1192645072 /nfs/dbraw/zinc/64/50/72/1192645072.db2.gz UCIVRLSTFHCSOG-CYBMUJFWSA-N 0 3 392.412 0.283 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000512389586 1192643205 /nfs/dbraw/zinc/64/32/05/1192643205.db2.gz OGCPKQHTLMVWRI-KBPBESRZSA-N 0 3 382.465 0.790 20 5 GCBDHN COc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000418933665 1192694190 /nfs/dbraw/zinc/69/41/90/1192694190.db2.gz ISVCPGNBIYHDHK-ZYHUDNBSSA-N 0 3 380.401 0.449 20 5 GCBDHN CCN(CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274566565 1184102107 /nfs/dbraw/zinc/10/21/07/1184102107.db2.gz QEJWJEMWCSSQAD-QGZVFWFLSA-N 0 3 392.456 0.938 20 5 GCBDHN Cc1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000609674740 1184476010 /nfs/dbraw/zinc/47/60/10/1184476010.db2.gz NHRHMNRCOGQWRV-CYBMUJFWSA-N 0 3 384.458 0.769 20 5 GCBDHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023695083 1184929156 /nfs/dbraw/zinc/92/91/56/1184929156.db2.gz UWBQVSZJZHVAQV-UHFFFAOYSA-N 0 3 382.442 0.524 20 5 GCBDHN O=C(CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCNCC1 ZINC000262146577 1185384204 /nfs/dbraw/zinc/38/42/04/1185384204.db2.gz OXJBYINTTJBCKW-UHFFFAOYSA-N 0 3 375.429 0.175 20 5 GCBDHN NS(=O)(=O)c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489232 1185554319 /nfs/dbraw/zinc/55/43/19/1185554319.db2.gz RCMAOEFRGCRNEJ-ZDUSSCGKSA-N 0 3 384.458 0.933 20 5 GCBDHN COC1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000610572960 1185689382 /nfs/dbraw/zinc/68/93/82/1185689382.db2.gz AEFFYFYBHXCVMO-UHFFFAOYSA-N 0 3 390.396 0.418 20 5 GCBDHN COc1ccc(C(=O)NCC(=O)NCCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000610573820 1186017137 /nfs/dbraw/zinc/01/71/37/1186017137.db2.gz SNKKOINTWDWUBX-UHFFFAOYSA-N 0 3 394.428 0.560 20 5 GCBDHN CN1C(=O)C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000276902503 1186141919 /nfs/dbraw/zinc/14/19/19/1186141919.db2.gz HXVMVNMOLSYLOU-YLQAJVPDSA-N 0 3 395.366 0.992 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563440636 1186615986 /nfs/dbraw/zinc/61/59/86/1186615986.db2.gz INZZUJJEDUHWQZ-CHWSQXEVSA-N 0 3 377.401 0.176 20 5 GCBDHN C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000176677488 1186828123 /nfs/dbraw/zinc/82/81/23/1186828123.db2.gz BLKJEEAMVKZPBC-AWEZNQCLSA-N 0 3 377.445 0.324 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583452039 1186857346 /nfs/dbraw/zinc/85/73/46/1186857346.db2.gz QPKBMLKZMPXUMI-CYZMBNFOSA-N 0 3 377.401 0.174 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@]1(O)CN2CCC1CC2 ZINC000583702758 1186922226 /nfs/dbraw/zinc/92/22/26/1186922226.db2.gz CYGCRTNCJWBWAZ-SFHVURJKSA-N 0 3 377.397 0.481 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C1CC1 ZINC000278384155 1186923073 /nfs/dbraw/zinc/92/30/73/1186923073.db2.gz DBCYBMWBXYEGGL-OAHLLOKOSA-N 0 3 382.442 0.616 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN1C1CC1 ZINC000278454673 1186950518 /nfs/dbraw/zinc/95/05/18/1186950518.db2.gz NRTBXSHNBOQBQC-OAHLLOKOSA-N 0 3 382.442 0.616 20 5 GCBDHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000573218184 1187048112 /nfs/dbraw/zinc/04/81/12/1187048112.db2.gz POMWXQYIESEYHE-UHFFFAOYSA-N 0 3 396.407 0.880 20 5 GCBDHN COC1CCN(CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000611847779 1187051952 /nfs/dbraw/zinc/05/19/52/1187051952.db2.gz KMFVSKQJDCEAHD-UHFFFAOYSA-N 0 3 378.429 0.860 20 5 GCBDHN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375813309 1187434859 /nfs/dbraw/zinc/43/48/59/1187434859.db2.gz ZEZLUYDEZCRUMN-FMKPAKJESA-N 0 3 397.432 0.522 20 5 GCBDHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472571309 1187800730 /nfs/dbraw/zinc/80/07/30/1187800730.db2.gz PFTHLCXMPJTABN-UHFFFAOYSA-N 0 3 381.408 0.816 20 5 GCBDHN COC(=O)COc1ccc(CN2CCN(C)C[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000414483295 1187978239 /nfs/dbraw/zinc/97/82/39/1187978239.db2.gz FDALVFLUMVWYGW-CQSZACIVSA-N 0 3 395.412 0.683 20 5 GCBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689271 1189696614 /nfs/dbraw/zinc/69/66/14/1189696614.db2.gz FYJWIGHAYHEVQU-NWDGAFQWSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@]1(C(N)=O)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000280519948 1194003223 /nfs/dbraw/zinc/00/32/23/1194003223.db2.gz DUUDMDLEETXGFF-SFHVURJKSA-N 0 3 375.429 0.441 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025392 1194158898 /nfs/dbraw/zinc/15/88/98/1194158898.db2.gz BPADHTKCYCYPLH-ABAIWWIYSA-N 0 3 376.413 0.709 20 5 GCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCNC(=O)CC1 ZINC000420969105 1194279089 /nfs/dbraw/zinc/27/90/89/1194279089.db2.gz AYFGGFXCONBXLV-ZDUSSCGKSA-N 0 3 384.458 0.721 20 5 GCBDHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000503510459 1194680408 /nfs/dbraw/zinc/68/04/08/1194680408.db2.gz ZUBMCVTVIFWHAS-OAHLLOKOSA-N 0 3 398.485 0.644 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000425320584 1194910733 /nfs/dbraw/zinc/91/07/33/1194910733.db2.gz RCQVFFCLFUIEAL-ZDUSSCGKSA-N 0 3 394.428 0.512 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1=O ZINC000425315709 1194911447 /nfs/dbraw/zinc/91/14/47/1194911447.db2.gz KSJUHRPRJGKSBM-CYBMUJFWSA-N 0 3 394.428 0.512 20 5 GCBDHN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000517403054 1195177196 /nfs/dbraw/zinc/17/71/96/1195177196.db2.gz PGQPGAVTGFTGPE-LBPRGKRZSA-N 0 3 382.442 0.616 20 5 GCBDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520484 1195300419 /nfs/dbraw/zinc/30/04/19/1195300419.db2.gz PXYFLZPYILESKF-HIFRSBDPSA-N 0 3 382.442 0.913 20 5 GCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000151615703 1196054995 /nfs/dbraw/zinc/05/49/95/1196054995.db2.gz SSBUGIUEALAMHU-INIZCTEOSA-N 0 3 375.429 0.697 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067483123 1196081449 /nfs/dbraw/zinc/08/14/49/1196081449.db2.gz HAFYWIKTIOGEKE-AWEZNQCLSA-N 0 3 387.444 0.931 20 5 GCBDHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000281103553 1196277497 /nfs/dbraw/zinc/27/74/97/1196277497.db2.gz MTFMFTSADJXIBX-IBGZPJMESA-N 0 3 389.456 0.701 20 5 GCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281762513 1196329596 /nfs/dbraw/zinc/32/95/96/1196329596.db2.gz LNGFYWHQXSMWNR-AWEZNQCLSA-N 0 3 391.472 0.855 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000523708807 1196552663 /nfs/dbraw/zinc/55/26/63/1196552663.db2.gz ZCZXQVZLIOQAHW-GFCCVEGCSA-N 0 3 397.457 0.409 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452383101 1197055725 /nfs/dbraw/zinc/05/57/25/1197055725.db2.gz OFFMNHPYASVXRM-UONOGXRCSA-N 0 3 382.465 0.790 20 5 GCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452802597 1197083311 /nfs/dbraw/zinc/08/33/11/1197083311.db2.gz VOLCIQYXYXEJCF-BBRMVZONSA-N 0 3 378.429 0.676 20 5 GCBDHN COc1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000531578263 1197085746 /nfs/dbraw/zinc/08/57/46/1197085746.db2.gz SSPCPJQYCRJXER-UHFFFAOYSA-N 0 3 386.474 0.909 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453805015 1197138422 /nfs/dbraw/zinc/13/84/22/1197138422.db2.gz JCJCVGIFGNSSBC-CQSZACIVSA-N 0 3 394.428 0.895 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453808223 1197139685 /nfs/dbraw/zinc/13/96/85/1197139685.db2.gz QXNCRSMYXHWGNJ-ZDUSSCGKSA-N 0 3 380.401 0.505 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453808220 1197139807 /nfs/dbraw/zinc/13/98/07/1197139807.db2.gz QXNCRSMYXHWGNJ-CYBMUJFWSA-N 0 3 380.401 0.505 20 5 GCBDHN CCCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1[N+](=O)[O-] ZINC000428631120 1197558915 /nfs/dbraw/zinc/55/89/15/1197558915.db2.gz QEKFSVKSJXDFHM-GFCCVEGCSA-N 0 3 378.433 0.554 20 5 GCBDHN COCCN(CCN(C)C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000265806388 1199312103 /nfs/dbraw/zinc/31/21/03/1199312103.db2.gz LIHMGANJFVWFGQ-UHFFFAOYSA-N 0 3 388.446 0.201 20 5 GCBDHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330787896 1199861362 /nfs/dbraw/zinc/86/13/62/1199861362.db2.gz XXCUHCQZAQAAGX-OAHLLOKOSA-N 0 3 382.442 0.522 20 5 GCBDHN CNc1nccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000594261204 1200735930 /nfs/dbraw/zinc/73/59/30/1200735930.db2.gz UJINAQXNYPODDS-UHFFFAOYSA-N 0 3 381.433 1.377 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000733162607 1201579453 /nfs/dbraw/zinc/57/94/53/1201579453.db2.gz PPXHYBUWECARPT-AWEZNQCLSA-N 0 3 378.429 0.928 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000735855399 1201704013 /nfs/dbraw/zinc/70/40/13/1201704013.db2.gz BUOHNRVLFVFWQL-MCIONIFRSA-N 0 3 380.449 0.807 20 5 GCBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747341723 1205560988 /nfs/dbraw/zinc/56/09/88/1205560988.db2.gz IBFJUGMVWIRKLW-KBPBESRZSA-N 0 3 390.396 0.300 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1=O ZINC000808269609 1205604526 /nfs/dbraw/zinc/60/45/26/1205604526.db2.gz KRLOLGYWOJHLEX-GFCCVEGCSA-N 0 3 379.417 0.086 20 5 GCBDHN COC(=O)C(C(=O)OC)c1ncc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170568811 1205617956 /nfs/dbraw/zinc/61/79/56/1205617956.db2.gz PMRSKLIYFGDKKH-CABZTGNLSA-N 0 3 382.373 0.208 20 5 GCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001132907109 1205654088 /nfs/dbraw/zinc/65/40/88/1205654088.db2.gz FPRFJOKKWJEBSB-UHFFFAOYSA-N 0 3 392.460 0.822 20 5 GCBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001132977679 1205655248 /nfs/dbraw/zinc/65/52/48/1205655248.db2.gz VQWTTWAEJMUHQN-KRWDZBQOSA-N 0 3 381.385 0.743 20 5 GCBDHN CC1(C)OCC(CO)(NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CO1 ZINC000812837196 1205669395 /nfs/dbraw/zinc/66/93/95/1205669395.db2.gz NVPYFCJOKFEBCL-UHFFFAOYSA-N 0 3 381.385 0.996 20 5 GCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813102996 1205672673 /nfs/dbraw/zinc/67/26/73/1205672673.db2.gz XKJDHIHPJZTJRG-LLVKDONJSA-N 0 3 388.398 0.725 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2C[C@H](O)[C@H](CO)C2)CC1 ZINC001173695322 1205726777 /nfs/dbraw/zinc/72/67/77/1205726777.db2.gz CHJXBFXTFVYYIY-WFASDCNBSA-N 0 3 385.442 0.033 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OC)(OC)[C@H](O)C1 ZINC001175714384 1205740422 /nfs/dbraw/zinc/74/04/22/1205740422.db2.gz HRYZHQVCAZYGRA-OAHLLOKOSA-N 0 3 383.401 0.988 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OC)(OC)[C@H](O)C1 ZINC001175716356 1205740505 /nfs/dbraw/zinc/74/05/05/1205740505.db2.gz UCJWRJYMHUEVIQ-OAHLLOKOSA-N 0 3 383.401 0.988 20 5 GCBDHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001187824131 1205969405 /nfs/dbraw/zinc/96/94/05/1205969405.db2.gz OMJDOGDCXXDXGR-LSDHHAIUSA-N 0 3 398.485 0.881 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000581432458 530325403 /nfs/dbraw/zinc/32/54/03/530325403.db2.gz XVZANBQJUIUMLF-SNVBAGLBSA-N 0 3 382.364 0.877 20 5 GCBDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000583262611 530352425 /nfs/dbraw/zinc/35/24/25/530352425.db2.gz ASXWIZBKVJSHIN-JTQLQIEISA-N 0 3 393.263 0.539 20 5 GCBDHN CN(CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)S(=O)(=O)c1cccs1 ZINC000566114946 530372457 /nfs/dbraw/zinc/37/24/57/530372457.db2.gz NLMMDGLNDYUYCQ-LBPRGKRZSA-N 0 3 389.459 0.124 20 5 GCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)C(N)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000584466502 530383972 /nfs/dbraw/zinc/38/39/72/530383972.db2.gz ZONBBALTJCROST-SNVBAGLBSA-N 0 3 384.336 0.416 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000581432457 530758938 /nfs/dbraw/zinc/75/89/38/530758938.db2.gz XVZANBQJUIUMLF-JTQLQIEISA-N 0 3 382.364 0.877 20 5 GCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000161483388 530806471 /nfs/dbraw/zinc/80/64/71/530806471.db2.gz PNONOHVODNCWHZ-GFCCVEGCSA-N 0 3 396.263 0.948 20 5 GCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000161518262 530821935 /nfs/dbraw/zinc/82/19/35/530821935.db2.gz CGWMFNFVWOWAGD-GFCCVEGCSA-N 0 3 396.263 0.948 20 5 GCBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCO1 ZINC000420485279 530870271 /nfs/dbraw/zinc/87/02/71/530870271.db2.gz ZMQWOVBMNUFRLR-VIFPVBQESA-N 0 3 380.220 0.624 20 5 GCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269775801 530925842 /nfs/dbraw/zinc/92/58/42/530925842.db2.gz RPDYTNSQBFSCMD-LBPRGKRZSA-N 0 3 396.263 0.948 20 5 GCBDHN Cc1noc(CS(=O)(=O)C(C)C(=O)NCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC000596019818 530926547 /nfs/dbraw/zinc/92/65/47/530926547.db2.gz HPHHTMFRPNTCBA-SECBINFHSA-N 0 3 377.375 0.262 20 5 GCBDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736859958 598427489 /nfs/dbraw/zinc/42/74/89/598427489.db2.gz KQLVWYXPBSBBPN-CYBMUJFWSA-N 0 3 387.448 0.776 20 5 GCBDHN C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736859958 598427491 /nfs/dbraw/zinc/42/74/91/598427491.db2.gz KQLVWYXPBSBBPN-CYBMUJFWSA-N 0 3 387.448 0.776 20 5 GCBDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736859958 598427493 /nfs/dbraw/zinc/42/74/93/598427493.db2.gz KQLVWYXPBSBBPN-CYBMUJFWSA-N 0 3 387.448 0.776 20 5 GCBDHN C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736859958 598427495 /nfs/dbraw/zinc/42/74/95/598427495.db2.gz KQLVWYXPBSBBPN-CYBMUJFWSA-N 0 3 387.448 0.776 20 5 GCBDHN C[C@@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736145886 598501760 /nfs/dbraw/zinc/50/17/60/598501760.db2.gz DJPUTMJTRMRYEH-LLVKDONJSA-N 0 3 376.421 0.699 20 5 GCBDHN C[C@@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736145886 598501762 /nfs/dbraw/zinc/50/17/62/598501762.db2.gz DJPUTMJTRMRYEH-LLVKDONJSA-N 0 3 376.421 0.699 20 5 GCBDHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826389625 608436487 /nfs/dbraw/zinc/43/64/87/608436487.db2.gz CQKAPXVLHSATGO-CYBMUJFWSA-N 0 3 387.404 0.088 20 5 GCBDHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826389625 608436488 /nfs/dbraw/zinc/43/64/88/608436488.db2.gz CQKAPXVLHSATGO-CYBMUJFWSA-N 0 3 387.404 0.088 20 5 GCBDHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000826389518 608436566 /nfs/dbraw/zinc/43/65/66/608436566.db2.gz AELLZGXWUSXQOH-GFCCVEGCSA-N 0 3 387.404 0.088 20 5 GCBDHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000826389518 608436567 /nfs/dbraw/zinc/43/65/67/608436567.db2.gz AELLZGXWUSXQOH-GFCCVEGCSA-N 0 3 387.404 0.088 20 5 GCBDHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768839102 640762011 /nfs/dbraw/zinc/76/20/11/640762011.db2.gz NNYHWUAXWKBABB-JTQLQIEISA-N 0 3 376.460 0.522 20 5 GCBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[N+](=O)[O-] ZINC000813108242 641780463 /nfs/dbraw/zinc/78/04/63/641780463.db2.gz WLCOZTOPCPIRFV-SNVBAGLBSA-N 0 3 376.362 0.669 20 5 GCBDHN CN(C)C[C@@H](CO)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854463764 642829984 /nfs/dbraw/zinc/82/99/84/642829984.db2.gz GAKWKEAWMFYUJG-NSHDSACASA-N 0 3 389.250 0.832 20 5 GCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC2CCS(=O)(=O)CC2)c1 ZINC000463071959 677372193 /nfs/dbraw/zinc/37/21/93/677372193.db2.gz UJNRADQVOUDECC-UHFFFAOYSA-N 0 3 377.444 0.040 20 5 GCBDHN COc1ccc(NC(=O)CCN2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000279133906 1192471798 /nfs/dbraw/zinc/47/17/98/1192471798.db2.gz WPDHEULTSVFRFJ-KRWDZBQOSA-N 0 3 391.384 0.606 20 5 GCBDHN COc1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000432544481 1192549101 /nfs/dbraw/zinc/54/91/01/1192549101.db2.gz XOIXAQGRDYOTER-UHFFFAOYSA-N 0 3 380.445 0.723 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430625676 1185809697 /nfs/dbraw/zinc/80/96/97/1185809697.db2.gz KWIIJRAGLCOPIF-OAHLLOKOSA-N 0 3 389.456 0.986 20 5 GCBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(CO)CCOCC1 ZINC000276735466 1186003318 /nfs/dbraw/zinc/00/33/18/1186003318.db2.gz FBOQWDGMVNCPEU-UHFFFAOYSA-N 0 3 392.456 0.717 20 5 GCBDHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1O ZINC000582012217 1186286008 /nfs/dbraw/zinc/28/60/08/1186286008.db2.gz AARVBHCCFMOKNS-WOPDTQHZSA-N 0 3 382.442 0.394 20 5 GCBDHN Cn1cc([C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277686848 1186563575 /nfs/dbraw/zinc/56/35/75/1186563575.db2.gz GVQWXSJXHWIGMC-ZVZYQTTQSA-N 0 3 376.413 0.776 20 5 GCBDHN COCCO[C@@H]1C[C@H](CO)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388888 1186925389 /nfs/dbraw/zinc/92/53/89/1186925389.db2.gz VBIFQMCUSOAQNO-YXJHDRRASA-N 0 3 384.429 0.680 20 5 GCBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCCC1 ZINC000413818333 1187527798 /nfs/dbraw/zinc/52/77/98/1187527798.db2.gz NHMLSWXZSCMRDU-OAHLLOKOSA-N 0 3 393.444 0.357 20 5 GCBDHN CC(C)(CN1CCOCC1)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000412007103 1187630740 /nfs/dbraw/zinc/63/07/40/1187630740.db2.gz WPPRQDPBMGPMFT-UHFFFAOYSA-N 0 3 380.401 0.962 20 5 GCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1SCCO ZINC000580902173 1187701787 /nfs/dbraw/zinc/70/17/87/1187701787.db2.gz HJFIQCFXLLWSGS-QGZVFWFLSA-N 0 3 381.454 0.866 20 5 GCBDHN Cc1cc(C(=O)NCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262826 1187732830 /nfs/dbraw/zinc/73/28/30/1187732830.db2.gz BACDBJNOGXCUFF-CABCVRRESA-N 0 3 376.413 0.612 20 5 GCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121203 1189411031 /nfs/dbraw/zinc/41/10/31/1189411031.db2.gz IYDKUOZJYFOAFB-UHFFFAOYSA-N 0 3 378.433 0.256 20 5 GCBDHN NC(=O)c1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000103150809 1189412427 /nfs/dbraw/zinc/41/24/27/1189412427.db2.gz LIAMOYCTTOCWSI-UHFFFAOYSA-N 0 3 375.429 0.434 20 5 GCBDHN C[C@@H]1NCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417320119 1189646557 /nfs/dbraw/zinc/64/65/57/1189646557.db2.gz IVQUQQMKGRXKJR-RYUDHWBXSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417320118 1189646884 /nfs/dbraw/zinc/64/68/84/1189646884.db2.gz IVQUQQMKGRXKJR-NWDGAFQWSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000417336319 1189649462 /nfs/dbraw/zinc/64/94/62/1189649462.db2.gz HOAXSZIRFVMNJN-NEPJUHHUSA-N 0 3 385.446 0.265 20 5 GCBDHN O=C1CN([C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906915 1189820798 /nfs/dbraw/zinc/82/07/98/1189820798.db2.gz RMZGLNQQLDMKGD-UKRRQHHQSA-N 0 3 386.412 0.685 20 5 GCBDHN CC(C)N1CCN([C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000366388261 1194035330 /nfs/dbraw/zinc/03/53/30/1194035330.db2.gz FINZNEAANYLWQU-HNNXBMFYSA-N 0 3 379.465 0.601 20 5 GCBDHN COC(=O)c1cc(NC(=O)C(=O)NCC2(N(C)C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000419801153 1194105818 /nfs/dbraw/zinc/10/58/18/1194105818.db2.gz ARYBXVKQSWQAAC-UHFFFAOYSA-N 0 3 378.385 0.839 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420029955 1194160402 /nfs/dbraw/zinc/16/04/02/1194160402.db2.gz FYCXMKKFCKNQPR-YPMHNXCESA-N 0 3 394.432 0.184 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420473061 1194230969 /nfs/dbraw/zinc/23/09/69/1194230969.db2.gz CPTZXWXVLXWSQE-CQSZACIVSA-N 0 3 380.430 0.979 20 5 GCBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422124647 1194390317 /nfs/dbraw/zinc/39/03/17/1194390317.db2.gz ZGBOWEJAHYNLKV-CQSZACIVSA-N 0 3 390.444 0.191 20 5 GCBDHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000503510458 1194680202 /nfs/dbraw/zinc/68/02/02/1194680202.db2.gz ZUBMCVTVIFWHAS-HNNXBMFYSA-N 0 3 398.485 0.644 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000422921891 1194708330 /nfs/dbraw/zinc/70/83/30/1194708330.db2.gz PJHVLYODAIYJNZ-MRXNPFEDSA-N 0 3 396.469 0.864 20 5 GCBDHN N[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000422918950 1194710688 /nfs/dbraw/zinc/71/06/88/1194710688.db2.gz JCSRSEIVHQEYTL-OAHLLOKOSA-N 0 3 382.442 0.555 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1=O ZINC000425308558 1194904683 /nfs/dbraw/zinc/90/46/83/1194904683.db2.gz CIYZXMFUXXMAEO-ZDUSSCGKSA-N 0 3 394.428 0.512 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1=O ZINC000425317114 1194909542 /nfs/dbraw/zinc/90/95/42/1194909542.db2.gz MMSMFXHDPOCDFJ-AWEZNQCLSA-N 0 3 382.392 0.643 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H](O)COc2ccccc2)cc1 ZINC000516862370 1195106250 /nfs/dbraw/zinc/10/62/50/1195106250.db2.gz XXTYKJGRTVCYNI-OAHLLOKOSA-N 0 3 395.437 0.903 20 5 GCBDHN COCCN1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000518077032 1195245972 /nfs/dbraw/zinc/24/59/72/1195245972.db2.gz JIPZUXDQXYILSU-GFCCVEGCSA-N 0 3 378.385 0.157 20 5 GCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000574462309 1195583525 /nfs/dbraw/zinc/58/35/25/1195583525.db2.gz FKUFRSKWWFKWFL-FZKQIMNGSA-N 0 3 392.412 0.365 20 5 GCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506237 1195777517 /nfs/dbraw/zinc/77/75/17/1195777517.db2.gz OVZDXSMOBVGTGG-CVEARBPZSA-N 0 3 390.444 0.685 20 5 GCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000521506649 1195999281 /nfs/dbraw/zinc/99/92/81/1195999281.db2.gz IGJAKRTXOXLDAC-AWEZNQCLSA-N 0 3 380.449 0.585 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000474784089 1196149524 /nfs/dbraw/zinc/14/95/24/1196149524.db2.gz OCNNGPVHPSJQBQ-UKRRQHHQSA-N 0 3 395.508 0.969 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000474784087 1196149783 /nfs/dbraw/zinc/14/97/83/1196149783.db2.gz OCNNGPVHPSJQBQ-DZGCQCFKSA-N 0 3 395.508 0.969 20 5 GCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487474115 1196427231 /nfs/dbraw/zinc/42/72/31/1196427231.db2.gz GXIGHWNTPBPQBC-UHFFFAOYSA-N 0 3 376.413 0.740 20 5 GCBDHN COC(=O)Cn1cc(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000440492476 1196509023 /nfs/dbraw/zinc/50/90/23/1196509023.db2.gz UEOXEMQBWIECFC-LBPRGKRZSA-N 0 3 375.389 0.483 20 5 GCBDHN Cn1nnc2cc(CNCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000532213404 1197126689 /nfs/dbraw/zinc/12/66/89/1197126689.db2.gz VLZRCPZMMDLPML-UHFFFAOYSA-N 0 3 390.425 0.945 20 5 GCBDHN CNc1nc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455414517 1197460998 /nfs/dbraw/zinc/46/09/98/1197460998.db2.gz FXCQSVLKXLMZFM-UHFFFAOYSA-N 0 3 376.417 0.412 20 5 GCBDHN CCN1CCN(CCC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273405812 1198983522 /nfs/dbraw/zinc/98/35/22/1198983522.db2.gz OHXIJHMZJGHCPB-UHFFFAOYSA-N 0 3 398.485 0.512 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCN(CC)CC1 ZINC000509129957 1199935352 /nfs/dbraw/zinc/93/53/52/1199935352.db2.gz OOFKEXAHTJDSNA-CQSZACIVSA-N 0 3 381.481 0.581 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041640320 1200388693 /nfs/dbraw/zinc/38/86/93/1200388693.db2.gz HRJGORMHHHOJMB-CQSZACIVSA-N 0 3 377.445 0.984 20 5 GCBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000731621066 1201491103 /nfs/dbraw/zinc/49/11/03/1201491103.db2.gz CNEKIDCIEKCIPP-ZIAGYGMSSA-N 0 3 393.396 0.774 20 5 GCBDHN CC(C)(C)OC(=O)NC1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000788003453 1205410951 /nfs/dbraw/zinc/41/09/51/1205410951.db2.gz GGKJRTHGSANYEI-CQSZACIVSA-N 0 3 399.448 0.504 20 5 GCBDHN CC(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103826 1205672718 /nfs/dbraw/zinc/67/27/18/1205672718.db2.gz USWGFCJBNLSVPU-ZWNOBZJWSA-N 0 3 387.370 0.956 20 5 GCBDHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813115769 1205673103 /nfs/dbraw/zinc/67/31/03/1205673103.db2.gz ZHVFMVDWIZCCKK-GTNSWQLSSA-N 0 3 379.369 0.979 20 5 GCBDHN CC(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813108820 1205673207 /nfs/dbraw/zinc/67/32/07/1205673207.db2.gz LXOYROVXYUAQKI-JQWIXIFHSA-N 0 3 398.393 0.832 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001173695318 1205726558 /nfs/dbraw/zinc/72/65/58/1205726558.db2.gz CHJXBFXTFVYYIY-DOMZBBRYSA-N 0 3 385.442 0.033 20 5 GCBDHN NC(=O)c1ccc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001175757823 1205741041 /nfs/dbraw/zinc/74/10/41/1205741041.db2.gz IBZNSUFMCWSCQF-UHFFFAOYSA-N 0 3 389.456 1.000 20 5 GCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001177879841 1205779636 /nfs/dbraw/zinc/77/96/36/1205779636.db2.gz RSBPZBATQXXRNJ-DZGCQCFKSA-N 0 3 396.469 0.958 20 5 GCBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008631 1205799452 /nfs/dbraw/zinc/79/94/52/1205799452.db2.gz OTYYJVXTEISUJL-DGCLKSJQSA-N 0 3 378.385 0.382 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](CN)C1 ZINC000124994409 530189758 /nfs/dbraw/zinc/18/97/58/530189758.db2.gz JIRGCAUGRZGLCY-SNVBAGLBSA-N 0 3 382.364 0.877 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261932085 530194778 /nfs/dbraw/zinc/19/47/78/530194778.db2.gz ZZVQFIARZDLWPP-GFCCVEGCSA-N 0 3 382.364 0.709 20 5 GCBDHN O=C(NC[C@H]1CNCCO1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000517024413 530314561 /nfs/dbraw/zinc/31/45/61/530314561.db2.gz SUUIIBBTUAZGQV-LLVKDONJSA-N 0 3 391.165 0.918 20 5 GCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592010 530500505 /nfs/dbraw/zinc/50/05/05/530500505.db2.gz QJBIQMHCSWDTNO-NEPJUHHUSA-N 0 3 383.202 0.741 20 5 GCBDHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000414227224 530592572 /nfs/dbraw/zinc/59/25/72/530592572.db2.gz VYZHRUGEEKYPKV-ZCFIWIBFSA-N 0 3 394.203 0.975 20 5 GCBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c1 ZINC000440363008 530687125 /nfs/dbraw/zinc/68/71/25/530687125.db2.gz HLUJMFVIZICRHM-UHFFFAOYSA-N 0 3 393.263 0.541 20 5 GCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161415160 530778250 /nfs/dbraw/zinc/77/82/50/530778250.db2.gz FLIPYRZFRXQFMZ-GFCCVEGCSA-N 0 3 396.263 0.948 20 5 GCBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282968693 530924685 /nfs/dbraw/zinc/92/46/85/530924685.db2.gz IXASMEOQZSCKFU-ZETCQYMHSA-N 0 3 376.778 0.594 20 5 GCBDHN O=C(C[C@H]1CSCCN1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262823114 531071989 /nfs/dbraw/zinc/07/19/89/531071989.db2.gz SWOKMOWVYHRIPM-NSHDSACASA-N 0 3 388.471 0.084 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737114067 598530623 /nfs/dbraw/zinc/53/06/23/598530623.db2.gz CECSOQSJSRECRA-SNVBAGLBSA-N 0 3 385.388 0.812 20 5 GCBDHN CN1CCC(NC(=S)NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000920306737 639919416 /nfs/dbraw/zinc/91/94/16/639919416.db2.gz ANHJJVRMNQAWMN-UHFFFAOYSA-N 0 3 388.475 0.127 20 5 GCBDHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110882 641781064 /nfs/dbraw/zinc/78/10/64/641781064.db2.gz LJNOBQAJKORGHH-LLVKDONJSA-N 0 3 375.403 0.087 20 5 GCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1Br ZINC000842483702 642337867 /nfs/dbraw/zinc/33/78/67/642337867.db2.gz QJBAZJWBQSHROU-QMMMGPOBSA-N 0 3 380.220 0.624 20 5 GCBDHN CN(C)C[C@H](CO)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854463761 642830074 /nfs/dbraw/zinc/83/00/74/642830074.db2.gz GAKWKEAWMFYUJG-LLVKDONJSA-N 0 3 389.250 0.832 20 5 GCBDHN C[C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000265044241 1192351935 /nfs/dbraw/zinc/35/19/35/1192351935.db2.gz AGXQHLBXULODAE-OAHLLOKOSA-N 0 3 391.472 0.714 20 5 GCBDHN CN1CCN(CCCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000125952809 1192410914 /nfs/dbraw/zinc/41/09/14/1192410914.db2.gz SGVZPOFQECLHAK-UHFFFAOYSA-N 0 3 387.444 0.933 20 5 GCBDHN NCc1cn([C@H]2CCCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)nn1 ZINC000570718275 1192413898 /nfs/dbraw/zinc/41/38/98/1192413898.db2.gz WTFUDBSXYBWHJL-HNNXBMFYSA-N 0 3 397.399 0.703 20 5 GCBDHN COc1ccc(NC(=O)CCN2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000279133910 1192471285 /nfs/dbraw/zinc/47/12/85/1192471285.db2.gz WPDHEULTSVFRFJ-QGZVFWFLSA-N 0 3 391.384 0.606 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc(N3CCCN(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000015210393 1192630730 /nfs/dbraw/zinc/63/07/30/1192630730.db2.gz GCPHLWCIZKPAES-UHFFFAOYSA-N 0 3 397.501 0.673 20 5 GCBDHN CN1C[C@@H]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893939971 1192880145 /nfs/dbraw/zinc/88/01/45/1192880145.db2.gz LHCFZRRTINPVDZ-SUMWQHHRSA-N 0 3 396.469 0.756 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274496417 1184077385 /nfs/dbraw/zinc/07/73/85/1184077385.db2.gz IJKUZYQYXWROBU-CYBMUJFWSA-N 0 3 393.444 0.684 20 5 GCBDHN COc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000274559086 1184099034 /nfs/dbraw/zinc/09/90/34/1184099034.db2.gz WSLSQHHSPJRVTC-CYBMUJFWSA-N 0 3 393.444 0.684 20 5 GCBDHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000275763845 1185035939 /nfs/dbraw/zinc/03/59/39/1185035939.db2.gz QCUCHTOSSLYNLM-SMDDNHRTSA-N 0 3 386.405 0.128 20 5 GCBDHN CN(C)S(=O)(=O)c1ccc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000477021271 1185539461 /nfs/dbraw/zinc/53/94/61/1185539461.db2.gz RHCWYBPDBSSSDQ-UHFFFAOYSA-N 0 3 385.490 0.895 20 5 GCBDHN COC1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610572979 1185689351 /nfs/dbraw/zinc/68/93/51/1185689351.db2.gz CNCVJDWFQTZQHN-UHFFFAOYSA-N 0 3 378.429 0.942 20 5 GCBDHN COC(=O)c1cnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000276857945 1186125770 /nfs/dbraw/zinc/12/57/70/1186125770.db2.gz YTOSJUMPKWZFOP-CYBMUJFWSA-N 0 3 377.401 0.519 20 5 GCBDHN Cn1cc([C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277619021 1186539764 /nfs/dbraw/zinc/53/97/64/1186539764.db2.gz AFHPBCOGLWXUCU-XHSDSOJGSA-N 0 3 376.413 0.776 20 5 GCBDHN COCCN1CCC[C@@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000611835970 1186656132 /nfs/dbraw/zinc/65/61/32/1186656132.db2.gz DKIJHAURCHHDCW-OAHLLOKOSA-N 0 3 378.429 0.860 20 5 GCBDHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268268 1186863605 /nfs/dbraw/zinc/86/36/05/1186863605.db2.gz IVMWNBFGZGJFCA-BZUAXINKSA-N 0 3 384.429 0.680 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052867951 1187014120 /nfs/dbraw/zinc/01/41/20/1187014120.db2.gz VOQWHBBVBUXNRP-UHFFFAOYSA-N 0 3 398.485 0.989 20 5 GCBDHN COCCNC(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612058442 1187246881 /nfs/dbraw/zinc/24/68/81/1187246881.db2.gz GQKYTNSBBGKLQF-OAHLLOKOSA-N 0 3 381.429 0.809 20 5 GCBDHN NS(=O)(=O)c1cccc(N2CCCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000612654799 1187550331 /nfs/dbraw/zinc/55/03/31/1187550331.db2.gz XQUDQGHYFIDWLR-ZDUSSCGKSA-N 0 3 384.458 0.933 20 5 GCBDHN NS(=O)(=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000580768892 1187699304 /nfs/dbraw/zinc/69/93/04/1187699304.db2.gz BTASBSQFZOCZCM-CYBMUJFWSA-N 0 3 381.410 0.772 20 5 GCBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000472603728 1187873954 /nfs/dbraw/zinc/87/39/54/1187873954.db2.gz XWIUVTJDWMPLDJ-LBPRGKRZSA-N 0 3 381.408 0.672 20 5 GCBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000103122421 1189410526 /nfs/dbraw/zinc/41/05/26/1189410526.db2.gz RCEXCWBPXQLWIZ-UHFFFAOYSA-N 0 3 386.412 0.851 20 5 GCBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121354 1189410878 /nfs/dbraw/zinc/41/08/78/1189410878.db2.gz FBXMDCUGEMPTFH-UHFFFAOYSA-N 0 3 375.429 0.773 20 5 GCBDHN CN(C(=O)CN1CCN(C(=O)CN2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000103150780 1189412691 /nfs/dbraw/zinc/41/26/91/1189412691.db2.gz FYIOQOXVKNRTBI-UHFFFAOYSA-N 0 3 389.456 0.798 20 5 GCBDHN CN1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000416597221 1189559993 /nfs/dbraw/zinc/55/99/93/1189559993.db2.gz ZQFVUPXVXSNHRY-UHFFFAOYSA-N 0 3 398.485 0.670 20 5 GCBDHN C[C@H]1NCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000417320120 1189646920 /nfs/dbraw/zinc/64/69/20/1189646920.db2.gz IVQUQQMKGRXKJR-VXGBXAGGSA-N 0 3 385.446 0.265 20 5 GCBDHN NS(=O)(=O)c1ccc(NCCC(=O)NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000053514468 1189732759 /nfs/dbraw/zinc/73/27/59/1189732759.db2.gz AKASCFHIKZWDPO-UHFFFAOYSA-N 0 3 399.473 0.646 20 5 GCBDHN CCN1CCN(CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000109113202 1190053605 /nfs/dbraw/zinc/05/36/05/1190053605.db2.gz PVJLLLBIJRJITP-UHFFFAOYSA-N 0 3 377.445 0.468 20 5 GCBDHN CN1CCC(CCO)(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513647257 1193969251 /nfs/dbraw/zinc/96/92/51/1193969251.db2.gz FYJLPURCBJEVAK-UHFFFAOYSA-N 0 3 385.442 0.575 20 5 GCBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419793282 1194105071 /nfs/dbraw/zinc/10/50/71/1194105071.db2.gz YWOJDYMIPPSPLA-GFCCVEGCSA-N 0 3 390.318 0.334 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000366946864 1194336738 /nfs/dbraw/zinc/33/67/38/1194336738.db2.gz UIWNZFXXUUDVEA-UONOGXRCSA-N 0 3 392.412 0.911 20 5 GCBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502815926 1194359346 /nfs/dbraw/zinc/35/93/46/1194359346.db2.gz XKIZSBCXTMPRII-CYBMUJFWSA-N 0 3 399.473 0.609 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000422921890 1194708435 /nfs/dbraw/zinc/70/84/35/1194708435.db2.gz PJHVLYODAIYJNZ-INIZCTEOSA-N 0 3 396.469 0.864 20 5 GCBDHN CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](N)C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000422932831 1194709272 /nfs/dbraw/zinc/70/92/72/1194709272.db2.gz GXFYUWJOYPWMPT-MRXNPFEDSA-N 0 3 396.469 0.774 20 5 GCBDHN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423998463 1194797897 /nfs/dbraw/zinc/79/78/97/1194797897.db2.gz ZPRIJJMVJWOEJY-HOCLYGCPSA-N 0 3 376.413 0.612 20 5 GCBDHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1=O ZINC000425317115 1194909656 /nfs/dbraw/zinc/90/96/56/1194909656.db2.gz MMSMFXHDPOCDFJ-CQSZACIVSA-N 0 3 382.392 0.643 20 5 GCBDHN CNc1c(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)cccc1[N+](=O)[O-] ZINC000425315725 1194911506 /nfs/dbraw/zinc/91/15/06/1194911506.db2.gz KTFHSYXWZCHSKF-CYBMUJFWSA-N 0 3 393.444 0.545 20 5 GCBDHN CN(C)S(=O)(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000515347688 1194969632 /nfs/dbraw/zinc/96/96/32/1194969632.db2.gz IERYDXYRHPXNIC-CQSZACIVSA-N 0 3 383.430 0.192 20 5 GCBDHN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000516817157 1195100548 /nfs/dbraw/zinc/10/05/48/1195100548.db2.gz OPBSKZTWYRDUEZ-UHFFFAOYSA-N 0 3 384.458 0.865 20 5 GCBDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000439937984 1195368528 /nfs/dbraw/zinc/36/85/28/1195368528.db2.gz CSPRMLTWUQDZOI-RISCZKNCSA-N 0 3 383.430 0.493 20 5 GCBDHN CN(C)CCN(CC(=O)N(C)C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894546609 1195443852 /nfs/dbraw/zinc/44/38/52/1195443852.db2.gz HIPKFBJLQJYWIA-UHFFFAOYSA-N 0 3 375.429 0.903 20 5 GCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000426957866 1195495145 /nfs/dbraw/zinc/49/51/45/1195495145.db2.gz ZKGHAOJTHIALFH-GOSISDBHSA-N 0 3 388.428 0.728 20 5 GCBDHN C[C@@H]1CN(CCC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000427293054 1195524528 /nfs/dbraw/zinc/52/45/28/1195524528.db2.gz XEFUWJZMFRJYBH-OKILXGFUSA-N 0 3 380.449 0.924 20 5 GCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000151625065 1196063590 /nfs/dbraw/zinc/06/35/90/1196063590.db2.gz NTBWPWRBNAHVQG-AWEZNQCLSA-N 0 3 386.412 0.574 20 5 GCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)CN1CCN(C)CC1 ZINC000522266120 1196069663 /nfs/dbraw/zinc/06/96/63/1196069663.db2.gz XKTDVEIPEBNRHF-ZDUSSCGKSA-N 0 3 378.429 0.979 20 5 GCBDHN COC(=O)COc1ccc(CNCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000474358791 1196111671 /nfs/dbraw/zinc/11/16/71/1196111671.db2.gz BXUHQSRLFMZSOT-UHFFFAOYSA-N 0 3 381.385 0.485 20 5 GCBDHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000281103555 1196277303 /nfs/dbraw/zinc/27/73/03/1196277303.db2.gz MTFMFTSADJXIBX-LJQANCHMSA-N 0 3 389.456 0.701 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCN(CC)CC1 ZINC000281693304 1196323529 /nfs/dbraw/zinc/32/35/29/1196323529.db2.gz ONDBEQAHGUDSNU-UHFFFAOYSA-N 0 3 393.444 0.686 20 5 GCBDHN CCn1cc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000444200075 1196360764 /nfs/dbraw/zinc/36/07/64/1196360764.db2.gz SERHIROASOGBSZ-UHFFFAOYSA-N 0 3 388.494 0.458 20 5 GCBDHN COCCNC(=O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000025814961 1196384066 /nfs/dbraw/zinc/38/40/66/1196384066.db2.gz JRYUVQWZMLKDCY-MRXNPFEDSA-N 0 3 381.429 0.809 20 5 GCBDHN CN1CC[C@](O)(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000444368376 1196434916 /nfs/dbraw/zinc/43/49/16/1196434916.db2.gz WUDGSPCCKXJTCX-KRWDZBQOSA-N 0 3 376.369 0.045 20 5 GCBDHN CCOC(=O)c1ccnc(N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000523112903 1196474822 /nfs/dbraw/zinc/47/48/22/1196474822.db2.gz KUMYKBCKRVPSDK-UHFFFAOYSA-N 0 3 391.428 0.911 20 5 GCBDHN C[C@@H]1CN(C[C@H](O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000440499584 1196510029 /nfs/dbraw/zinc/51/00/29/1196510029.db2.gz XOEWUWNKYGXJFC-JYYAWHABSA-N 0 3 379.461 0.946 20 5 GCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487527147 1196691657 /nfs/dbraw/zinc/69/16/57/1196691657.db2.gz CJBDGYOYBGAPDH-UHFFFAOYSA-N 0 3 376.413 0.740 20 5 GCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452793814 1197082188 /nfs/dbraw/zinc/08/21/88/1197082188.db2.gz HYVIXHRDQOTIPT-UKRRQHHQSA-N 0 3 378.429 0.676 20 5 GCBDHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743734 1197404655 /nfs/dbraw/zinc/40/46/55/1197404655.db2.gz LYGMWDLXDZMOFJ-SWLSCSKDSA-N 0 3 384.458 0.801 20 5 GCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396030 1198976212 /nfs/dbraw/zinc/97/62/12/1198976212.db2.gz VQPRSLIZXYXMKP-NVXWUHKLSA-N 0 3 392.456 0.573 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000265769461 1199148421 /nfs/dbraw/zinc/14/84/21/1199148421.db2.gz FGXVIQKUXXYEMK-ZDUSSCGKSA-N 0 3 393.444 0.542 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000265769458 1199148527 /nfs/dbraw/zinc/14/85/27/1199148527.db2.gz FGXVIQKUXXYEMK-CYBMUJFWSA-N 0 3 393.444 0.542 20 5 GCBDHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC000114160130 1199374020 /nfs/dbraw/zinc/37/40/20/1199374020.db2.gz NSHSFDFIZYOJLO-OAHLLOKOSA-N 0 3 389.456 0.654 20 5 GCBDHN CNC(=O)c1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301821187 1199396547 /nfs/dbraw/zinc/39/65/47/1199396547.db2.gz LWWLONAARGMGGD-OAHLLOKOSA-N 0 3 375.429 0.873 20 5 GCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCN(C)CC1 ZINC000124916460 1199860929 /nfs/dbraw/zinc/86/09/29/1199860929.db2.gz CPLZDLFIZGRTPC-CQSZACIVSA-N 0 3 377.445 0.467 20 5 GCBDHN COc1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000282492076 1200075285 /nfs/dbraw/zinc/07/52/85/1200075285.db2.gz JUIYKGPBGAJZKC-UHFFFAOYSA-N 0 3 386.474 0.908 20 5 GCBDHN CCN(CC)C(=O)CN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173517455 1200346241 /nfs/dbraw/zinc/34/62/41/1200346241.db2.gz YIXDXHNELHGQGI-INIZCTEOSA-N 0 3 382.465 0.028 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041640318 1200388749 /nfs/dbraw/zinc/38/87/49/1200388749.db2.gz HRJGORMHHHOJMB-AWEZNQCLSA-N 0 3 377.445 0.984 20 5 GCBDHN CN1CCN(CCCCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731607827 1201490031 /nfs/dbraw/zinc/49/00/31/1201490031.db2.gz QNBRRWOCDIETSO-UHFFFAOYSA-N 0 3 378.429 0.930 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000735855398 1201703877 /nfs/dbraw/zinc/70/38/77/1201703877.db2.gz BUOHNRVLFVFWQL-IHRRRGAJSA-N 0 3 380.449 0.807 20 5 GCBDHN C[C@@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648571 1205426619 /nfs/dbraw/zinc/42/66/19/1205426619.db2.gz ZBPHUBDRVUODFF-UKRRQHHQSA-N 0 3 377.445 0.761 20 5 GCBDHN C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCC1 ZINC000793708159 1205504698 /nfs/dbraw/zinc/50/46/98/1205504698.db2.gz LFXAMMHLIYVZSM-AWEZNQCLSA-N 0 3 392.460 0.945 20 5 GCBDHN COC(=O)C(C(=O)OC)c1cc(N[C@@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170572655 1205619372 /nfs/dbraw/zinc/61/93/72/1205619372.db2.gz HPRVRUJCBWRXMQ-IINYFYTJSA-N 0 3 381.385 0.813 20 5 GCBDHN COC[C@]1(CN(C)C)COCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001132761365 1205650642 /nfs/dbraw/zinc/65/06/42/1205650642.db2.gz OTIZICNMRUVXGS-GOSISDBHSA-N 0 3 391.428 0.750 20 5 GCBDHN CC(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103824 1205672713 /nfs/dbraw/zinc/67/27/13/1205672713.db2.gz USWGFCJBNLSVPU-GXFFZTMASA-N 0 3 387.370 0.956 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NC2(CCO)COC2)CC1 ZINC001173691376 1205726474 /nfs/dbraw/zinc/72/64/74/1205726474.db2.gz NVNGKXIOMYBOCH-UHFFFAOYSA-N 0 3 385.442 0.489 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OC)(OC)[C@@H](O)C1 ZINC001175714383 1205740428 /nfs/dbraw/zinc/74/04/28/1205740428.db2.gz HRYZHQVCAZYGRA-HNNXBMFYSA-N 0 3 383.401 0.988 20 5 GCBDHN O=Cc1ccc(OCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001180054463 1205817570 /nfs/dbraw/zinc/81/75/70/1205817570.db2.gz NUJJDUBNTWRHNV-HUUCEWRRSA-N 0 3 377.397 0.844 20 5 GCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732858 530194102 /nfs/dbraw/zinc/19/41/02/530194102.db2.gz DWEABQWQDHFTLC-ONGXEEELSA-N 0 3 383.202 0.741 20 5 GCBDHN O=C(NC[C@@H]1CNCCO1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000517024414 530314362 /nfs/dbraw/zinc/31/43/62/530314362.db2.gz SUUIIBBTUAZGQV-NSHDSACASA-N 0 3 391.165 0.918 20 5 GCBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563441504 530349428 /nfs/dbraw/zinc/34/94/28/530349428.db2.gz LTHOVLZULHSCGD-SKDRFNHKSA-N 0 3 388.833 0.489 20 5 GCBDHN N[C@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899345 530350290 /nfs/dbraw/zinc/35/02/90/530350290.db2.gz UHOZNIOVFCZGQG-AAEUAGOBSA-N 0 3 397.229 0.670 20 5 GCBDHN CN(CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)S(=O)(=O)c1cccs1 ZINC000566114937 530372399 /nfs/dbraw/zinc/37/23/99/530372399.db2.gz NLMMDGLNDYUYCQ-GFCCVEGCSA-N 0 3 389.459 0.124 20 5 GCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000161483514 530806540 /nfs/dbraw/zinc/80/65/40/530806540.db2.gz PNONOHVODNCWHZ-LBPRGKRZSA-N 0 3 396.263 0.948 20 5 GCBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420471117 530869412 /nfs/dbraw/zinc/86/94/12/530869412.db2.gz AKVSBHADELMRFV-SNVBAGLBSA-N 0 3 380.220 0.624 20 5 GCBDHN CSCC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262157903 530962690 /nfs/dbraw/zinc/96/26/90/530962690.db2.gz UEXYFXWVRMCMIR-LBPRGKRZSA-N 0 3 376.460 0.070 20 5 GCBDHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768835190 640761927 /nfs/dbraw/zinc/76/19/27/640761927.db2.gz NDYOOVFGFNOWOC-UHFFFAOYSA-N 0 3 388.471 0.585 20 5 GCBDHN Cn1ccnc1[C@@H]1CNCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563148868 1192361009 /nfs/dbraw/zinc/36/10/09/1192361009.db2.gz AVUUPNYTKHVQSZ-HNNXBMFYSA-N 0 3 379.442 0.749 20 5 GCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279006236 1192434114 /nfs/dbraw/zinc/43/41/14/1192434114.db2.gz DLDVAQSTEJLQDP-QGZVFWFLSA-N 0 3 375.385 0.906 20 5 GCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274514174 1184083361 /nfs/dbraw/zinc/08/33/61/1184083361.db2.gz YJASUHGDAKRESG-HNNXBMFYSA-N 0 3 391.472 0.857 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610263081 1184633210 /nfs/dbraw/zinc/63/32/10/1184633210.db2.gz UDXYHLMEBAFDLF-UHFFFAOYSA-N 0 3 385.446 0.165 20 5 GCBDHN COc1cc(CCNC(=O)CNC(=O)[C@@H](N)C(C)C)c([N+](=O)[O-])cc1OC ZINC000262180012 1185392700 /nfs/dbraw/zinc/39/27/00/1185392700.db2.gz QXXATCUDFRTFIU-INIZCTEOSA-N 0 3 382.417 0.370 20 5 GCBDHN COc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276045467 1185518942 /nfs/dbraw/zinc/51/89/42/1185518942.db2.gz SVNBMWHSHODVOR-UHFFFAOYSA-N 0 3 393.444 0.638 20 5 GCBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581184826 1185525984 /nfs/dbraw/zinc/52/59/84/1185525984.db2.gz XTPGKHWVSQOJGX-OAHLLOKOSA-N 0 3 390.444 0.191 20 5 GCBDHN COC(=O)c1cnc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000477745224 1186039387 /nfs/dbraw/zinc/03/93/87/1186039387.db2.gz SBRISZIJXNBLBT-UHFFFAOYSA-N 0 3 377.401 0.521 20 5 GCBDHN CCN(CC)C(=O)CN1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247703320 1186264506 /nfs/dbraw/zinc/26/45/06/1186264506.db2.gz YIXDXHNELHGQGI-MRXNPFEDSA-N 0 3 382.465 0.028 20 5 GCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728551770 1186792025 /nfs/dbraw/zinc/79/20/25/1186792025.db2.gz MZZJBDQVGAQTGY-UHFFFAOYSA-N 0 3 394.403 0.879 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583452042 1186857202 /nfs/dbraw/zinc/85/72/02/1186857202.db2.gz QPKBMLKZMPXUMI-WCFLWFBJSA-N 0 3 377.401 0.174 20 5 GCBDHN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375813311 1187434766 /nfs/dbraw/zinc/43/47/66/1187434766.db2.gz ZEZLUYDEZCRUMN-IJEWVQPXSA-N 0 3 397.432 0.522 20 5 GCBDHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCn1cc([N+](=O)[O-])cn1 ZINC000451979216 1187469917 /nfs/dbraw/zinc/46/99/17/1187469917.db2.gz BGKDZSSATKAKFA-UHFFFAOYSA-N 0 3 387.393 0.589 20 5 GCBDHN COC(=O)[C@H]1CN(C)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000411922819 1187532806 /nfs/dbraw/zinc/53/28/06/1187532806.db2.gz VCZKWFNEKMNLPY-ZDUSSCGKSA-N 0 3 392.412 0.929 20 5 GCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000180985040 1187903147 /nfs/dbraw/zinc/90/31/47/1187903147.db2.gz DANCAFOFZHZMEJ-UHFFFAOYSA-N 0 3 377.445 0.904 20 5 GCBDHN COc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000541149737 1188058030 /nfs/dbraw/zinc/05/80/30/1188058030.db2.gz NBRCCKNTHNFJBI-UHFFFAOYSA-N 0 3 379.417 0.296 20 5 GCBDHN CCOc1cc(NC(=O)C(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OCC ZINC000415866099 1189391279 /nfs/dbraw/zinc/39/12/79/1189391279.db2.gz NTXIDVIKAUAFDN-LLVKDONJSA-N 0 3 396.400 0.435 20 5 GCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000378423264 1189502994 /nfs/dbraw/zinc/50/29/94/1189502994.db2.gz AYPHNZLDNVFFPD-KRWDZBQOSA-N 0 3 395.456 0.494 20 5 GCBDHN COCCN(C)C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482629 1189669233 /nfs/dbraw/zinc/66/92/33/1189669233.db2.gz VQHAPFLHBMIIHJ-YOEHRIQHSA-N 0 3 380.401 0.301 20 5 GCBDHN COc1cc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000566491776 1189685343 /nfs/dbraw/zinc/68/53/43/1189685343.db2.gz YNEMEOFWYGYJER-GHMZBOCLSA-N 0 3 386.355 0.949 20 5 GCBDHN O=C1CN([C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906911 1189820603 /nfs/dbraw/zinc/82/06/03/1189820603.db2.gz RMZGLNQQLDMKGD-HIFRSBDPSA-N 0 3 386.412 0.685 20 5 GCBDHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544143467 1189910622 /nfs/dbraw/zinc/91/06/22/1189910622.db2.gz YPSRZFDPLZUKQK-MRXNPFEDSA-N 0 3 392.456 0.575 20 5 GCBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000106765692 1189936486 /nfs/dbraw/zinc/93/64/86/1189936486.db2.gz ZXOJJBSSEGQHHY-MRXNPFEDSA-N 0 3 375.429 0.947 20 5 GCBDHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000419459225 1194033604 /nfs/dbraw/zinc/03/36/04/1194033604.db2.gz CSDBSXWITCDZRY-MRXNPFEDSA-N 0 3 388.428 0.847 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052279 1194170273 /nfs/dbraw/zinc/17/02/73/1194170273.db2.gz FKVLDTURGPGJBF-IUODEOHRSA-N 0 3 378.429 0.825 20 5 GCBDHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420204618 1194204190 /nfs/dbraw/zinc/20/41/90/1194204190.db2.gz SHUQGUSKUKXRQA-INIZCTEOSA-N 0 3 392.412 0.069 20 5 GCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1CCCOCC1 ZINC000420971713 1194280094 /nfs/dbraw/zinc/28/00/94/1194280094.db2.gz IYLWOWGTBSCOOK-UHFFFAOYSA-N 0 3 386.474 0.527 20 5 GCBDHN CN1CCN(CCCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000503063039 1194377447 /nfs/dbraw/zinc/37/74/47/1194377447.db2.gz LNLBAXRUVWXBKF-UHFFFAOYSA-N 0 3 384.458 0.366 20 5 GCBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423998460 1194797977 /nfs/dbraw/zinc/79/79/77/1194797977.db2.gz ZPRIJJMVJWOEJY-GOEBONIOSA-N 0 3 376.413 0.612 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1=O ZINC000425308481 1194907729 /nfs/dbraw/zinc/90/77/29/1194907729.db2.gz BZZBHFVSZMESQJ-AWEZNQCLSA-N 0 3 378.429 0.812 20 5 GCBDHN CN(C)CCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000505656679 1194915695 /nfs/dbraw/zinc/91/56/95/1194915695.db2.gz GCAACXIDWFSSMM-UHFFFAOYSA-N 0 3 384.458 0.816 20 5 GCBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)[C@@H]2C1 ZINC000425401485 1194953815 /nfs/dbraw/zinc/95/38/15/1194953815.db2.gz LRSNDJIHFRQZAE-DZGCQCFKSA-N 0 3 390.444 0.507 20 5 GCBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000515535969 1194982029 /nfs/dbraw/zinc/98/20/29/1194982029.db2.gz QOMIJBXOMHSEEY-KRWDZBQOSA-N 0 3 387.440 0.269 20 5 GCBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000515535970 1194982044 /nfs/dbraw/zinc/98/20/44/1194982044.db2.gz QOMIJBXOMHSEEY-QGZVFWFLSA-N 0 3 387.440 0.269 20 5 GCBDHN COc1ccc(NC(=O)CCN2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000518797537 1195334335 /nfs/dbraw/zinc/33/43/35/1195334335.db2.gz XGFQCYBLCLTJPY-WCQYABFASA-N 0 3 377.401 0.176 20 5 GCBDHN COc1ccc(NC(=O)CCN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000518797538 1195334465 /nfs/dbraw/zinc/33/44/65/1195334465.db2.gz XGFQCYBLCLTJPY-YPMHNXCESA-N 0 3 377.401 0.176 20 5 GCBDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000439937982 1195368657 /nfs/dbraw/zinc/36/86/57/1195368657.db2.gz CSPRMLTWUQDZOI-BXUZGUMPSA-N 0 3 383.430 0.493 20 5 GCBDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000440077362 1195382548 /nfs/dbraw/zinc/38/25/48/1195382548.db2.gz VZYYZXGAVNYSSS-CYBMUJFWSA-N 0 3 386.474 0.908 20 5 GCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506238 1195777607 /nfs/dbraw/zinc/77/76/07/1195777607.db2.gz OVZDXSMOBVGTGG-HOTGVXAUSA-N 0 3 390.444 0.685 20 5 GCBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000443494909 1196061266 /nfs/dbraw/zinc/06/12/66/1196061266.db2.gz AMEXBACRSXXIKX-UONOGXRCSA-N 0 3 399.517 0.964 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067483124 1196080720 /nfs/dbraw/zinc/08/07/20/1196080720.db2.gz HAFYWIKTIOGEKE-CQSZACIVSA-N 0 3 387.444 0.931 20 5 GCBDHN CN1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000281679374 1196322334 /nfs/dbraw/zinc/32/23/34/1196322334.db2.gz FABWYDLSUGXNDR-UHFFFAOYSA-N 0 3 377.445 0.467 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000281699393 1196323964 /nfs/dbraw/zinc/32/39/64/1196323964.db2.gz PJYKSXIQDOCINF-UHFFFAOYSA-N 0 3 382.417 0.969 20 5 GCBDHN Cc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281929055 1196348325 /nfs/dbraw/zinc/34/83/25/1196348325.db2.gz JXHMHZYEKGTSKR-UHFFFAOYSA-N 0 3 377.445 0.984 20 5 GCBDHN Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@H]3CCCN4CCO)cc2n(C)c1=O ZINC000897218057 1196406061 /nfs/dbraw/zinc/40/60/61/1196406061.db2.gz AOQUMBDWSKMYFQ-QWHCGFSZSA-N 0 3 375.429 0.821 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000523708808 1196552595 /nfs/dbraw/zinc/55/25/95/1196552595.db2.gz ZCZXQVZLIOQAHW-LBPRGKRZSA-N 0 3 397.457 0.409 20 5 GCBDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194536 1196691999 /nfs/dbraw/zinc/69/19/99/1196691999.db2.gz ZCOUTBOSGBGVHJ-RISCZKNCSA-N 0 3 383.430 0.493 20 5 GCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCN3CCCOCC3)CC2)c1 ZINC000429715568 1196692850 /nfs/dbraw/zinc/69/28/50/1196692850.db2.gz DSCLTSHYUVFPTP-UHFFFAOYSA-N 0 3 398.485 0.623 20 5 GCBDHN CN1CCN(CCCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000527460205 1196786241 /nfs/dbraw/zinc/78/62/41/1196786241.db2.gz KDLWEXKMZBVJKW-UHFFFAOYSA-N 0 3 381.408 0.816 20 5 GCBDHN Cc1nc(NCCN2CC=CCC2)nc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000530430011 1196987145 /nfs/dbraw/zinc/98/71/45/1196987145.db2.gz DQJPWAKPVIMYSD-UHFFFAOYSA-N 0 3 387.488 0.885 20 5 GCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452793813 1197082216 /nfs/dbraw/zinc/08/22/16/1197082216.db2.gz HYVIXHRDQOTIPT-HIFRSBDPSA-N 0 3 378.429 0.676 20 5 GCBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000531976421 1197105828 /nfs/dbraw/zinc/10/58/28/1197105828.db2.gz ZCHNVVYRHMTGLV-CYBMUJFWSA-N 0 3 390.396 0.702 20 5 GCBDHN COCCN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000148543827 1197384268 /nfs/dbraw/zinc/38/42/68/1197384268.db2.gz XKGHPOHCTAMDRH-UHFFFAOYSA-N 0 3 380.401 0.769 20 5 GCBDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396032 1198976345 /nfs/dbraw/zinc/97/63/45/1198976345.db2.gz VQPRSLIZXYXMKP-RDJZCZTQSA-N 0 3 392.456 0.573 20 5 GCBDHN CC(C)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000273463639 1199012251 /nfs/dbraw/zinc/01/22/51/1199012251.db2.gz IRJKUHOBZKGINR-AWEZNQCLSA-N 0 3 385.490 0.926 20 5 GCBDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330787895 1199861443 /nfs/dbraw/zinc/86/14/43/1199861443.db2.gz XXCUHCQZAQAAGX-HNNXBMFYSA-N 0 3 382.442 0.522 20 5 GCBDHN COc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cccc1[N+](=O)[O-] ZINC000331078634 1199865726 /nfs/dbraw/zinc/86/57/26/1199865726.db2.gz WRZISBIGQPADAB-OAHLLOKOSA-N 0 3 376.413 0.982 20 5 GCBDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041640658 1200388721 /nfs/dbraw/zinc/38/87/21/1200388721.db2.gz OPLYSFJMYRQPLY-ZDUSSCGKSA-N 0 3 377.445 0.984 20 5 GCBDHN NC(=O)C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000544462454 1201094699 /nfs/dbraw/zinc/09/46/99/1201094699.db2.gz VZVGVLNWEFBGNX-OAHLLOKOSA-N 0 3 376.413 0.744 20 5 GCBDHN CCN1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084533 1201215350 /nfs/dbraw/zinc/21/53/50/1201215350.db2.gz CJESDELDFPLCBD-CQSZACIVSA-N 0 3 399.517 0.965 20 5 GCBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000611242566 1201225978 /nfs/dbraw/zinc/22/59/78/1201225978.db2.gz VZCRMZIRKDUHDD-HNNXBMFYSA-N 0 3 397.457 0.161 20 5 GCBDHN O=C(NCCO)C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000735308638 1201686254 /nfs/dbraw/zinc/68/62/54/1201686254.db2.gz MFUFIQKAJBHTLP-UHFFFAOYSA-N 0 3 392.412 0.713 20 5 GCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000735855401 1201703982 /nfs/dbraw/zinc/70/39/82/1201703982.db2.gz BUOHNRVLFVFWQL-RDBSUJKOSA-N 0 3 380.449 0.807 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000103461733 1201959375 /nfs/dbraw/zinc/95/93/75/1201959375.db2.gz LEQQPHIWWOFPBZ-UHFFFAOYSA-N 0 3 391.428 0.946 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270800 1205604778 /nfs/dbraw/zinc/60/47/78/1205604778.db2.gz LAOVDLZQUFOHGD-SBSDFTTDSA-N 0 3 390.440 0.903 20 5 GCBDHN CC(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N+](=O)[O-] ZINC000813108341 1205673190 /nfs/dbraw/zinc/67/31/90/1205673190.db2.gz XTCAQTIMUCTHCL-CYBMUJFWSA-N 0 3 386.426 0.849 20 5 GCBDHN CC(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N+](=O)[O-] ZINC000813108343 1205673199 /nfs/dbraw/zinc/67/31/99/1205673199.db2.gz XTCAQTIMUCTHCL-ZDUSSCGKSA-N 0 3 386.426 0.849 20 5 GCBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008630 1205799307 /nfs/dbraw/zinc/79/93/07/1205799307.db2.gz OTYYJVXTEISUJL-AAEUAGOBSA-N 0 3 378.385 0.382 20 5 GCBDHN CN1CCN(C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC001187362134 1205961161 /nfs/dbraw/zinc/96/11/61/1205961161.db2.gz UUOHUAKMROHYBJ-UHFFFAOYSA-N 0 3 383.474 0.458 20 5 GCBDHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001187824129 1205969493 /nfs/dbraw/zinc/96/94/93/1205969493.db2.gz OMJDOGDCXXDXGR-GJZGRUSLSA-N 0 3 398.485 0.881 20 5 GCBDHN C[NH+](C)CCOCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000544389534 530573567 /nfs/dbraw/zinc/57/35/67/530573567.db2.gz QLGGTXPZCBQCDW-UHFFFAOYSA-N 0 3 375.403 0.223 20 5 GCBDHN CC(C)(C)NS(=O)(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591725168 530727097 /nfs/dbraw/zinc/72/70/97/530727097.db2.gz FQWKXTMWDONAOP-ZDUSSCGKSA-N 0 3 375.447 0.642 20 5 GCBDHN CN1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000577117259 531114424 /nfs/dbraw/zinc/11/44/24/531114424.db2.gz OZWAKWFFYPZHPV-LLVKDONJSA-N 0 3 393.263 0.621 20 5 GCBDHN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736745314 598500767 /nfs/dbraw/zinc/50/07/67/598500767.db2.gz GALLZAIQQLJZMC-CYBMUJFWSA-N 0 3 389.420 0.525 20 5 GCBDHN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736745314 598500768 /nfs/dbraw/zinc/50/07/68/598500768.db2.gz GALLZAIQQLJZMC-CYBMUJFWSA-N 0 3 389.420 0.525 20 5 GCBDHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736745317 598500804 /nfs/dbraw/zinc/50/08/04/598500804.db2.gz GALLZAIQQLJZMC-ZDUSSCGKSA-N 0 3 389.420 0.525 20 5 GCBDHN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736745317 598500805 /nfs/dbraw/zinc/50/08/05/598500805.db2.gz GALLZAIQQLJZMC-ZDUSSCGKSA-N 0 3 389.420 0.525 20 5 GCBDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000821586008 607114099 /nfs/dbraw/zinc/11/40/99/607114099.db2.gz FSCCFWYCXLOACX-UHFFFAOYSA-N 0 3 384.404 0.715 20 5 GCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000825000323 608150818 /nfs/dbraw/zinc/15/08/18/608150818.db2.gz ONRLLRNDLQQTPQ-DOMZBBRYSA-N 0 3 387.448 0.632 20 5 GCBDHN C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824999952 608150951 /nfs/dbraw/zinc/15/09/51/608150951.db2.gz LFOQHXURBSNTPF-JSGCOSHPSA-N 0 3 387.448 0.632 20 5 GCBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000899731686 639271242 /nfs/dbraw/zinc/27/12/42/639271242.db2.gz GFIQSPGKVVHUGH-UHFFFAOYSA-N 0 3 393.181 0.853 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768838146 640762151 /nfs/dbraw/zinc/76/21/51/640762151.db2.gz ZATDUEMOGXBEIW-UHFFFAOYSA-N 0 3 390.487 0.831 20 5 GCBDHN COCC[NH2+]CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193361514 642058327 /nfs/dbraw/zinc/05/83/27/642058327.db2.gz DFZPJHOBZVHFTO-UHFFFAOYSA-N 0 3 382.236 0.872 20 5 GCBDHN COCCNCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000842825201 642353300 /nfs/dbraw/zinc/35/33/00/642353300.db2.gz LTMXJVJBCLSSCK-UHFFFAOYSA-N 0 3 376.391 0.634 20 5 GCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000053836863 1192260677 /nfs/dbraw/zinc/26/06/77/1192260677.db2.gz UEBRDSWEYNKSKZ-UHFFFAOYSA-N 0 3 387.444 0.905 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000066982716 1192401819 /nfs/dbraw/zinc/40/18/19/1192401819.db2.gz KFIUUIDKAQVSFR-UHFFFAOYSA-N 0 3 399.473 0.658 20 5 GCBDHN N[C@@H]1C[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCN2C1=O ZINC000570060975 1192404487 /nfs/dbraw/zinc/40/44/87/1192404487.db2.gz ZROPISYHDPVWHT-HUUCEWRRSA-N 0 3 387.440 0.582 20 5 GCBDHN O=C(NC[C@H]1CNCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418756588 1192640441 /nfs/dbraw/zinc/64/04/41/1192640441.db2.gz CXMHUQOLAQWXHI-OAHLLOKOSA-N 0 3 377.401 0.051 20 5 GCBDHN CCOc1cc(N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)ccc1[N+](=O)[O-] ZINC000418768113 1192640823 /nfs/dbraw/zinc/64/08/23/1192640823.db2.gz OTQJMDBUMBJRIQ-OAHLLOKOSA-N 0 3 393.444 0.814 20 5 GCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000512389588 1192643228 /nfs/dbraw/zinc/64/32/28/1192643228.db2.gz OGCPKQHTLMVWRI-UONOGXRCSA-N 0 3 382.465 0.790 20 5 GCBDHN CN1C[C@H]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893939968 1192880225 /nfs/dbraw/zinc/88/02/25/1192880225.db2.gz LHCFZRRTINPVDZ-CXAGYDPISA-N 0 3 396.469 0.756 20 5 GCBDHN Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000573578893 1192907647 /nfs/dbraw/zinc/90/76/47/1192907647.db2.gz YCJNFRUYUXDCQW-STQMWFEESA-N 0 3 384.396 0.308 20 5 GCBDHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000274559088 1184099366 /nfs/dbraw/zinc/09/93/66/1184099366.db2.gz WSLSQHHSPJRVTC-ZDUSSCGKSA-N 0 3 393.444 0.684 20 5 GCBDHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261744496 1185248828 /nfs/dbraw/zinc/24/88/28/1185248828.db2.gz LAXCHYAQXGFMJO-ZDUSSCGKSA-N 0 3 388.384 0.642 20 5 GCBDHN COC1CCN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610573011 1185690011 /nfs/dbraw/zinc/69/00/11/1185690011.db2.gz JCOLHGGLJFLEMN-UHFFFAOYSA-N 0 3 393.444 0.621 20 5 GCBDHN NC(=O)c1ccc(CN2CCC[C@H](C(=O)N3CCNCC3)C2)c([N+](=O)[O-])c1 ZINC000430617863 1185786756 /nfs/dbraw/zinc/78/67/56/1185786756.db2.gz PQHYNEFQVAWCNB-HNNXBMFYSA-N 0 3 375.429 0.338 20 5 GCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430638740 1185842417 /nfs/dbraw/zinc/84/24/17/1185842417.db2.gz DGXMLFNQUYBZLN-HNNXBMFYSA-N 0 3 389.456 0.986 20 5 GCBDHN CCN1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084530 1186057071 /nfs/dbraw/zinc/05/70/71/1186057071.db2.gz CJESDELDFPLCBD-AWEZNQCLSA-N 0 3 399.517 0.965 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563440637 1186616124 /nfs/dbraw/zinc/61/61/24/1186616124.db2.gz INZZUJJEDUHWQZ-OLZOCXBDSA-N 0 3 377.401 0.176 20 5 GCBDHN CCOC(=O)c1nnc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)[n-]1 ZINC000277861173 1186651310 /nfs/dbraw/zinc/65/13/10/1186651310.db2.gz UGFYOUIBFYLEBO-CYBMUJFWSA-N 0 3 393.404 0.327 20 5 GCBDHN Cc1c(C(=O)NCCCN2CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000248005037 1186780223 /nfs/dbraw/zinc/78/02/23/1186780223.db2.gz BRWNSHREPKTHBN-UHFFFAOYSA-N 0 3 387.444 0.851 20 5 GCBDHN COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000584064578 1186992611 /nfs/dbraw/zinc/99/26/11/1186992611.db2.gz HQKJIUDSUUWNBW-DMDPSCGWSA-N 0 3 377.401 0.174 20 5 GCBDHN COCCNC(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612058441 1187246704 /nfs/dbraw/zinc/24/67/04/1187246704.db2.gz GQKYTNSBBGKLQF-HNNXBMFYSA-N 0 3 381.429 0.809 20 5 GCBDHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000364826155 1187466392 /nfs/dbraw/zinc/46/63/92/1187466392.db2.gz GHGCMSXXRLMKCF-AWEZNQCLSA-N 0 3 375.385 0.892 20 5 GCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(O)(CN2CCOCC2)CC1 ZINC000364914916 1187471657 /nfs/dbraw/zinc/47/16/57/1187471657.db2.gz GNIVEXGIZMBQOH-INIZCTEOSA-N 0 3 395.456 0.494 20 5 GCBDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472556500 1187766842 /nfs/dbraw/zinc/76/68/42/1187766842.db2.gz BRGXYEQBYUYEOJ-GFCCVEGCSA-N 0 3 381.408 0.815 20 5 GCBDHN C[C@@H]1CN(C[C@H](O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000122267669 1188005966 /nfs/dbraw/zinc/00/59/66/1188005966.db2.gz XOEWUWNKYGXJFC-QSJFSLAZSA-N 0 3 379.461 0.946 20 5 GCBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102165308 1188158046 /nfs/dbraw/zinc/15/80/46/1188158046.db2.gz QCURTMHTRMQDPH-ZDUSSCGKSA-N 0 3 379.392 0.870 20 5 GCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000290437334 1189407752 /nfs/dbraw/zinc/40/77/52/1189407752.db2.gz KSOHMFRZYUEVCQ-UHFFFAOYSA-N 0 3 377.445 0.849 20 5 GCBDHN CCN1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 ZINC000104731178 1189490530 /nfs/dbraw/zinc/49/05/30/1189490530.db2.gz HAYBNMRYCKFTOX-UHFFFAOYSA-N 0 3 385.490 0.577 20 5 GCBDHN CN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)CC1 ZINC000416576379 1189554619 /nfs/dbraw/zinc/55/46/19/1189554619.db2.gz DHHJXPKCPWKNJM-UHFFFAOYSA-N 0 3 398.485 0.670 20 5 GCBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289323 1189641005 /nfs/dbraw/zinc/64/10/05/1189641005.db2.gz ZVZZYQFVYBPPIF-NWDGAFQWSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000417336322 1189649267 /nfs/dbraw/zinc/64/92/67/1189649267.db2.gz HOAXSZIRFVMNJN-VXGBXAGGSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420029952 1194160455 /nfs/dbraw/zinc/16/04/55/1194160455.db2.gz FYCXMKKFCKNQPR-AAEUAGOBSA-N 0 3 394.432 0.184 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052282 1194170411 /nfs/dbraw/zinc/17/04/11/1194170411.db2.gz FKVLDTURGPGJBF-SWLSCSKDSA-N 0 3 378.429 0.825 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](CO)CN1CCCCC1 ZINC000413808009 1194343743 /nfs/dbraw/zinc/34/37/43/1194343743.db2.gz HMLBCYCGWIAPMN-AWEZNQCLSA-N 0 3 379.413 0.872 20 5 GCBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC000421992329 1194376046 /nfs/dbraw/zinc/37/60/46/1194376046.db2.gz QQCNZBBOJMGWQK-MRXNPFEDSA-N 0 3 396.469 0.958 20 5 GCBDHN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991960 1194797202 /nfs/dbraw/zinc/79/72/02/1194797202.db2.gz NIDVPSYXYDULMX-LSDHHAIUSA-N 0 3 396.469 0.551 20 5 GCBDHN Cn1cc(C[C@H](CO)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000516770831 1195093791 /nfs/dbraw/zinc/09/37/91/1195093791.db2.gz SVNUTCRGKXXZBK-AWEZNQCLSA-N 0 3 382.442 0.543 20 5 GCBDHN COCCN1CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000518077033 1195245745 /nfs/dbraw/zinc/24/57/45/1195245745.db2.gz JIPZUXDQXYILSU-LBPRGKRZSA-N 0 3 378.385 0.157 20 5 GCBDHN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520483 1195300440 /nfs/dbraw/zinc/30/04/40/1195300440.db2.gz PXYFLZPYILESKF-DZGCQCFKSA-N 0 3 382.442 0.913 20 5 GCBDHN COc1cc(CCNC(=O)C(=O)N(C)CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000550247297 1195469738 /nfs/dbraw/zinc/46/97/38/1195469738.db2.gz AWIILVOQHRTHBM-UHFFFAOYSA-N 0 3 382.417 0.291 20 5 GCBDHN COC(=O)COc1ccc(CNC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991589 1195772990 /nfs/dbraw/zinc/77/29/90/1195772990.db2.gz RVJLZUCATGRONF-CJNGLKHVSA-N 0 3 395.412 0.872 20 5 GCBDHN CN1CCN(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281653659 1196317487 /nfs/dbraw/zinc/31/74/87/1196317487.db2.gz BTLNCJMWCVWYBW-UHFFFAOYSA-N 0 3 378.429 0.928 20 5 GCBDHN Cc1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000523070372 1196454284 /nfs/dbraw/zinc/45/42/84/1196454284.db2.gz WMFSDAUCPKFJEX-UHFFFAOYSA-N 0 3 377.445 0.986 20 5 GCBDHN CN(CC(=O)N[C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523127853 1196492054 /nfs/dbraw/zinc/49/20/54/1196492054.db2.gz JOPCHAWEGLNPGV-GFCCVEGCSA-N 0 3 382.442 0.568 20 5 GCBDHN CN1CC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450786173 1196953887 /nfs/dbraw/zinc/95/38/87/1196953887.db2.gz GPVNKZSDXBGTGB-DYVFJYSZSA-N 0 3 396.469 0.756 20 5 GCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCCN1CCO ZINC000452802601 1197083081 /nfs/dbraw/zinc/08/30/81/1197083081.db2.gz VOLCIQYXYXEJCF-CZUORRHYSA-N 0 3 378.429 0.676 20 5 GCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCCN1CCO ZINC000452802603 1197083235 /nfs/dbraw/zinc/08/32/35/1197083235.db2.gz VOLCIQYXYXEJCF-XJKSGUPXSA-N 0 3 378.429 0.676 20 5 GCBDHN COCCN(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000520341254 1197109092 /nfs/dbraw/zinc/10/90/92/1197109092.db2.gz YZMAACQUFRUYEY-LBPRGKRZSA-N 0 3 384.458 0.955 20 5 GCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273521767 1199024148 /nfs/dbraw/zinc/02/41/48/1199024148.db2.gz WVPUELISBMDPBD-ZDUSSCGKSA-N 0 3 399.473 0.597 20 5 GCBDHN CCN1CCN(CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136926 1199492221 /nfs/dbraw/zinc/49/22/21/1199492221.db2.gz XIUIFAIIZQBEOQ-UHFFFAOYSA-N 0 3 387.444 0.933 20 5 GCBDHN NC(=O)C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000543494503 1199963458 /nfs/dbraw/zinc/96/34/58/1199963458.db2.gz JZWJCBISKVBQNN-NSHDSACASA-N 0 3 394.384 0.522 20 5 GCBDHN CCN(CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000470587651 1200082702 /nfs/dbraw/zinc/08/27/02/1200082702.db2.gz KOBRDXGWONTSNV-LBPRGKRZSA-N 0 3 384.458 0.691 20 5 GCBDHN CCN(CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000470587650 1200083370 /nfs/dbraw/zinc/08/33/70/1200083370.db2.gz KOBRDXGWONTSNV-GFCCVEGCSA-N 0 3 384.458 0.691 20 5 GCBDHN CNc1nccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571894856 1200740773 /nfs/dbraw/zinc/74/07/73/1200740773.db2.gz IMOOXJUNUYVHIN-IBGZPJMESA-N 0 3 385.424 1.398 20 5 GCBDHN COc1cc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282533935 1200761432 /nfs/dbraw/zinc/76/14/32/1200761432.db2.gz MOXNAQSZWYCIPH-UHFFFAOYSA-N 0 3 386.474 0.908 20 5 GCBDHN CCN1CCN(CCNC(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CC1 ZINC000282537580 1200859382 /nfs/dbraw/zinc/85/93/82/1200859382.db2.gz CPZYLSIXATVPOY-UHFFFAOYSA-N 0 3 381.408 0.735 20 5 GCBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000731621064 1201490905 /nfs/dbraw/zinc/49/09/05/1201490905.db2.gz CNEKIDCIEKCIPP-KGLIPLIRSA-N 0 3 393.396 0.774 20 5 GCBDHN COC(=O)C(C(=O)OC)c1ncc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170568810 1205618005 /nfs/dbraw/zinc/61/80/05/1205618005.db2.gz PMRSKLIYFGDKKH-BXKDBHETSA-N 0 3 382.373 0.208 20 5 GCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000813105564 1205672695 /nfs/dbraw/zinc/67/26/95/1205672695.db2.gz OUEHILBATAEXIK-LLVKDONJSA-N 0 3 388.398 0.538 20 5 GCBDHN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813115770 1205673107 /nfs/dbraw/zinc/67/31/07/1205673107.db2.gz ZHVFMVDWIZCCKK-PIGZYNQJSA-N 0 3 379.369 0.979 20 5 GCBDHN CC(COC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813113302 1205673165 /nfs/dbraw/zinc/67/31/65/1205673165.db2.gz PDXSKAKPIFZEIR-OHEJIBKASA-N 0 3 375.381 0.998 20 5 GCBDHN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813115767 1205673183 /nfs/dbraw/zinc/67/31/83/1205673183.db2.gz ZHVFMVDWIZCCKK-APPDUMDISA-N 0 3 379.369 0.979 20 5 GCBDHN CC(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[N+](=O)[O-] ZINC000813108823 1205673270 /nfs/dbraw/zinc/67/32/70/1205673270.db2.gz LXOYROVXYUAQKI-ZYHUDNBSSA-N 0 3 398.393 0.832 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2C[C@H](CO)[C@H](O)C2)CC1 ZINC001173695319 1205726693 /nfs/dbraw/zinc/72/66/93/1205726693.db2.gz CHJXBFXTFVYYIY-IUODEOHRSA-N 0 3 385.442 0.033 20 5 GCBDHN O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179009095 1205799489 /nfs/dbraw/zinc/79/94/89/1205799489.db2.gz YKSXGNNNUHDMDJ-SNVBAGLBSA-N 0 3 396.350 0.623 20 5 GCBDHN O=Cc1ccc(OCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001180054459 1205817365 /nfs/dbraw/zinc/81/73/65/1205817365.db2.gz NUJJDUBNTWRHNV-CABCVRRESA-N 0 3 377.397 0.844 20 5 GCBDHN CNC(=O)CN1CCCC12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])CC2 ZINC001164684294 719710074 /nfs/dbraw/zinc/71/00/74/719710074.db2.gz OOWFNYNBDSKURG-UHFFFAOYSA-N 0 3 391.428 0.957 20 5 GCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732854 530194076 /nfs/dbraw/zinc/19/40/76/530194076.db2.gz DWEABQWQDHFTLC-KOLCDFICSA-N 0 3 383.202 0.741 20 5 GCBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](CN)C1 ZINC000582125187 530327137 /nfs/dbraw/zinc/32/71/37/530327137.db2.gz JIRGCAUGRZGLCY-JTQLQIEISA-N 0 3 382.364 0.877 20 5 GCBDHN CS(=O)(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000564319146 530350649 /nfs/dbraw/zinc/35/06/49/530350649.db2.gz DCQXLVYKSZBQEX-LBPRGKRZSA-N 0 3 388.833 0.999 20 5 GCBDHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000414227223 530592465 /nfs/dbraw/zinc/59/24/65/530592465.db2.gz VYZHRUGEEKYPKV-LURJTMIESA-N 0 3 394.203 0.975 20 5 GCBDHN NC[C@@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524297 530868031 /nfs/dbraw/zinc/86/80/31/530868031.db2.gz HYFBUUGZQNGXCI-SNVBAGLBSA-N 0 3 384.336 0.557 20 5 GCBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H](N)CC(F)F)c([N+](=O)[O-])c1 ZINC000498194567 530940906 /nfs/dbraw/zinc/94/09/06/530940906.db2.gz DTEMXXSQDYCRLT-VIFPVBQESA-N 0 3 380.373 0.509 20 5 GCBDHN C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736859959 598427671 /nfs/dbraw/zinc/42/76/71/598427671.db2.gz KQLVWYXPBSBBPN-ZDUSSCGKSA-N 0 3 387.448 0.776 20 5 GCBDHN C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736859959 598427672 /nfs/dbraw/zinc/42/76/72/598427672.db2.gz KQLVWYXPBSBBPN-ZDUSSCGKSA-N 0 3 387.448 0.776 20 5 GCBDHN C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736859959 598427673 /nfs/dbraw/zinc/42/76/73/598427673.db2.gz KQLVWYXPBSBBPN-ZDUSSCGKSA-N 0 3 387.448 0.776 20 5 GCBDHN C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736859959 598427674 /nfs/dbraw/zinc/42/76/74/598427674.db2.gz KQLVWYXPBSBBPN-ZDUSSCGKSA-N 0 3 387.448 0.776 20 5 GCBDHN O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000738366078 598597501 /nfs/dbraw/zinc/59/75/01/598597501.db2.gz BJTNQISORQRQMO-NSHDSACASA-N 0 3 385.388 0.682 20 5 GCBDHN O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000738366078 598597503 /nfs/dbraw/zinc/59/75/03/598597503.db2.gz BJTNQISORQRQMO-NSHDSACASA-N 0 3 385.388 0.682 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000823651919 599568443 /nfs/dbraw/zinc/56/84/43/599568443.db2.gz RLVRIPVBCSKFMZ-MRXNPFEDSA-N 0 3 384.400 0.997 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000823651919 599568446 /nfs/dbraw/zinc/56/84/46/599568446.db2.gz RLVRIPVBCSKFMZ-MRXNPFEDSA-N 0 3 384.400 0.997 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000823651919 599568449 /nfs/dbraw/zinc/56/84/49/599568449.db2.gz RLVRIPVBCSKFMZ-MRXNPFEDSA-N 0 3 384.400 0.997 20 5 GCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000823651919 599568452 /nfs/dbraw/zinc/56/84/52/599568452.db2.gz RLVRIPVBCSKFMZ-MRXNPFEDSA-N 0 3 384.400 0.997 20 5 GCBDHN CC[NH+](CC)CC(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821181604 606708252 /nfs/dbraw/zinc/70/82/52/606708252.db2.gz NFYMBDJQQMIFBB-UHFFFAOYSA-N 0 3 389.420 0.160 20 5 GCBDHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826390424 607838314 /nfs/dbraw/zinc/83/83/14/607838314.db2.gz ZHLOYFFZGBTRBG-OAHLLOKOSA-N 0 3 386.416 0.693 20 5 GCBDHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826390424 607838315 /nfs/dbraw/zinc/83/83/15/607838315.db2.gz ZHLOYFFZGBTRBG-OAHLLOKOSA-N 0 3 386.416 0.693 20 5 GCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000716749330 641628848 /nfs/dbraw/zinc/62/88/48/641628848.db2.gz HIAVGRVMICHPAJ-QMMMGPOBSA-N 0 3 393.181 0.852 20 5 GCBDHN COc1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813110050 641780333 /nfs/dbraw/zinc/78/03/33/641780333.db2.gz RKGVMQQMBRRWDM-SNVBAGLBSA-N 0 3 376.387 0.581 20 5 GCBDHN N[C@@H]1C[C@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCN2C1=O ZINC000570060976 1192404349 /nfs/dbraw/zinc/40/43/49/1192404349.db2.gz ZROPISYHDPVWHT-LSDHHAIUSA-N 0 3 387.440 0.582 20 5 GCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000512077534 1192428086 /nfs/dbraw/zinc/42/80/86/1192428086.db2.gz PJPSFVTYSVRUHB-UHFFFAOYSA-N 0 3 387.444 0.510 20 5 GCBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CN1CCN(C)CC1 ZINC000265124067 1192471568 /nfs/dbraw/zinc/47/15/68/1192471568.db2.gz OQMUGQIYJABCLX-ZDUSSCGKSA-N 0 3 378.429 0.979 20 5 GCBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CN1CCN(C)CC1 ZINC000265124064 1192471710 /nfs/dbraw/zinc/47/17/10/1192471710.db2.gz OQMUGQIYJABCLX-CYBMUJFWSA-N 0 3 378.429 0.979 20 5 GCBDHN Cc1c(NC(=O)CCN2CCC[C@@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000279145338 1192473653 /nfs/dbraw/zinc/47/36/53/1192473653.db2.gz YALPPJACZNDMAB-KRWDZBQOSA-N 0 3 375.385 0.906 20 5 GCBDHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000418933664 1192693734 /nfs/dbraw/zinc/69/37/34/1192693734.db2.gz ISVCPGNBIYHDHK-PWSUYJOCSA-N 0 3 380.401 0.449 20 5 GCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000418954158 1192701293 /nfs/dbraw/zinc/70/12/93/1192701293.db2.gz XFEMYTLJJRVNQY-ZWNOBZJWSA-N 0 3 380.401 0.449 20 5 GCBDHN Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000573578892 1192907430 /nfs/dbraw/zinc/90/74/30/1192907430.db2.gz YCJNFRUYUXDCQW-QWHCGFSZSA-N 0 3 384.396 0.308 20 5 GCBDHN CCN(CC)CC(=O)N1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276966580 1186180377 /nfs/dbraw/zinc/18/03/77/1186180377.db2.gz XGPDORUFYSPCFK-UHFFFAOYSA-N 0 3 379.417 0.767 20 5 GCBDHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263726295 1186468144 /nfs/dbraw/zinc/46/81/44/1186468144.db2.gz PFXYZVRPZJPLQZ-AWEZNQCLSA-N 0 3 396.469 0.770 20 5 GCBDHN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583332055 1186830520 /nfs/dbraw/zinc/83/05/20/1186830520.db2.gz VIQIIAZDMNKJFK-KBPBESRZSA-N 0 3 397.453 0.997 20 5 GCBDHN Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000583625771 1186903309 /nfs/dbraw/zinc/90/33/09/1186903309.db2.gz KORTXGMEJTXAAI-NSHDSACASA-N 0 3 378.414 0.593 20 5 GCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCNS(=O)(=O)c2ccccc2)c1 ZINC000583626518 1186903320 /nfs/dbraw/zinc/90/33/20/1186903320.db2.gz VGRQWQWATDAJIB-OAHLLOKOSA-N 0 3 395.437 0.903 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C1CC1 ZINC000278454672 1186950352 /nfs/dbraw/zinc/95/03/52/1186950352.db2.gz NRTBXSHNBOQBQC-HNNXBMFYSA-N 0 3 382.442 0.616 20 5 GCBDHN COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000584064581 1186992539 /nfs/dbraw/zinc/99/25/39/1186992539.db2.gz HQKJIUDSUUWNBW-LOWVWBTDSA-N 0 3 377.401 0.174 20 5 GCBDHN C[C@@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1=CCN(C)CC1 ZINC000584140609 1187004854 /nfs/dbraw/zinc/00/48/54/1187004854.db2.gz PDIHTSPZZHATED-CYBMUJFWSA-N 0 3 390.444 0.721 20 5 GCBDHN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375813312 1187434569 /nfs/dbraw/zinc/43/45/69/1187434569.db2.gz ZEZLUYDEZCRUMN-YCPHGPKFSA-N 0 3 397.432 0.522 20 5 GCBDHN CN1CCN(c2ncccc2CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581365611 1187713861 /nfs/dbraw/zinc/71/38/61/1187713861.db2.gz XUOOPAGZJNWNCH-INIZCTEOSA-N 0 3 375.433 0.089 20 5 GCBDHN NC(=O)C[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377609336 1188087740 /nfs/dbraw/zinc/08/77/40/1188087740.db2.gz YPFVPNWVKSVKIS-AWEZNQCLSA-N 0 3 375.429 0.441 20 5 GCBDHN C[C@H]1NCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000417289325 1189640758 /nfs/dbraw/zinc/64/07/58/1189640758.db2.gz ZVZZYQFVYBPPIF-VXGBXAGGSA-N 0 3 385.446 0.265 20 5 GCBDHN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000417336321 1189649483 /nfs/dbraw/zinc/64/94/83/1189649483.db2.gz HOAXSZIRFVMNJN-RYUDHWBXSA-N 0 3 385.446 0.265 20 5 GCBDHN CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000417679645 1189694784 /nfs/dbraw/zinc/69/47/84/1189694784.db2.gz MDHPVBAHBHYGGM-UHFFFAOYSA-N 0 3 385.446 0.267 20 5 GCBDHN CN1CCN(CCCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136932 1193730599 /nfs/dbraw/zinc/73/05/99/1193730599.db2.gz PQUJSKBJDOLMTQ-UHFFFAOYSA-N 0 3 387.444 0.933 20 5 GCBDHN N[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000419936450 1194145367 /nfs/dbraw/zinc/14/53/67/1194145367.db2.gz UHTOEIMUVULSAL-OAHLLOKOSA-N 0 3 398.423 0.455 20 5 GCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025393 1194159083 /nfs/dbraw/zinc/15/90/83/1194159083.db2.gz BPADHTKCYCYPLH-IAQYHMDHSA-N 0 3 376.413 0.709 20 5 GCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044149 1194167612 /nfs/dbraw/zinc/16/76/12/1194167612.db2.gz SOSGSZQKJDTMPB-XHDPSFHLSA-N 0 3 392.412 0.414 20 5 GCBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000422100758 1194385063 /nfs/dbraw/zinc/38/50/63/1194385063.db2.gz LNUAWEQRODQBET-KRWDZBQOSA-N 0 3 389.456 0.796 20 5 GCBDHN CN1CCN(CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000518002358 1195237765 /nfs/dbraw/zinc/23/77/65/1195237765.db2.gz UOZZRJJDTDKEJA-UHFFFAOYSA-N 0 3 391.428 0.074 20 5 GCBDHN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520486 1195300771 /nfs/dbraw/zinc/30/07/71/1195300771.db2.gz PXYFLZPYILESKF-ZFWWWQNUSA-N 0 3 382.442 0.913 20 5 GCBDHN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCN1C1CC1 ZINC000426883274 1195488706 /nfs/dbraw/zinc/48/87/06/1195488706.db2.gz SBNKLRBIFYFJPO-CQSZACIVSA-N 0 3 382.442 0.616 20 5 GCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000427631028 1195836108 /nfs/dbraw/zinc/83/61/08/1195836108.db2.gz PJFZFDYXNSCSIJ-UHFFFAOYSA-N 0 3 380.445 0.723 20 5 GCBDHN CN(C)CCN1C[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC000427979656 1195902138 /nfs/dbraw/zinc/90/21/38/1195902138.db2.gz PURXLOAHRWPJKK-AWEZNQCLSA-N 0 3 376.413 0.726 20 5 GCBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000438968826 1195987572 /nfs/dbraw/zinc/98/75/72/1195987572.db2.gz BCLWTRZAGJLUOF-MRXNPFEDSA-N 0 3 386.408 0.292 20 5 GCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000521922209 1196025564 /nfs/dbraw/zinc/02/55/64/1196025564.db2.gz ZMZADAAVFJDFMT-UHFFFAOYSA-N 0 3 387.444 0.885 20 5 GCBDHN COc1cc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000443284869 1196033908 /nfs/dbraw/zinc/03/39/08/1196033908.db2.gz PRYVMALGNGULST-CYBMUJFWSA-N 0 3 387.458 0.975 20 5 GCBDHN CN1CCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1(C)C ZINC000281703623 1196324164 /nfs/dbraw/zinc/32/41/64/1196324164.db2.gz HDHBKTKHMCUQPJ-UHFFFAOYSA-N 0 3 387.444 0.931 20 5 GCBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000444368377 1196434765 /nfs/dbraw/zinc/43/47/65/1196434765.db2.gz WUDGSPCCKXJTCX-QGZVFWFLSA-N 0 3 376.369 0.045 20 5 GCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CCCCN1CCO ZINC000452388791 1197056309 /nfs/dbraw/zinc/05/63/09/1197056309.db2.gz KNJJVTOWILGISY-CQSZACIVSA-N 0 3 379.413 0.872 20 5 GCBDHN Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531292238 1197063131 /nfs/dbraw/zinc/06/31/31/1197063131.db2.gz HZQCNPQKXIOMFQ-GFCCVEGCSA-N 0 3 382.442 0.861 20 5 GCBDHN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000520185542 1197083097 /nfs/dbraw/zinc/08/30/97/1197083097.db2.gz ZDDOVCXRYWSDHU-GFCCVEGCSA-N 0 3 382.442 0.616 20 5 GCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453805011 1197138400 /nfs/dbraw/zinc/13/84/00/1197138400.db2.gz JCJCVGIFGNSSBC-AWEZNQCLSA-N 0 3 394.428 0.895 20 5 GCBDHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000532918942 1197421585 /nfs/dbraw/zinc/42/15/85/1197421585.db2.gz GOYIHZQBZMRAOK-UHFFFAOYSA-N 0 3 396.469 0.770 20 5 GCBDHN C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000121969612 1197526845 /nfs/dbraw/zinc/52/68/45/1197526845.db2.gz IVABXYJQVBIBQY-CABCVRRESA-N 0 3 391.472 0.713 20 5 GCBDHN C[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265819253 1199437828 /nfs/dbraw/zinc/43/78/28/1199437828.db2.gz OCRNAILUXKSMGC-CQSZACIVSA-N 0 3 396.469 0.912 20 5 GCBDHN COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000331266355 1199868696 /nfs/dbraw/zinc/86/86/96/1199868696.db2.gz CIFXCOSMGGQZGZ-AWEZNQCLSA-N 0 3 376.413 0.982 20 5 GCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@H](O)COc1ccccc1 ZINC000028264930 1199924078 /nfs/dbraw/zinc/92/40/78/1199924078.db2.gz VHNGHZTWDQVQQH-AWEZNQCLSA-N 0 3 395.437 0.903 20 5 GCBDHN Cc1cc(NC(=O)CCNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000583198761 1200834512 /nfs/dbraw/zinc/83/45/12/1200834512.db2.gz FUURQOXPJIATJJ-UHFFFAOYSA-N 0 3 397.413 0.788 20 5 GCBDHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855665 1201704150 /nfs/dbraw/zinc/70/41/50/1201704150.db2.gz MHGXGNXBGIRILG-NEPJUHHUSA-N 0 3 398.441 0.144 20 5 GCBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000767262672 1201969284 /nfs/dbraw/zinc/96/92/84/1201969284.db2.gz MQSPXPLTKOUFIJ-CQSZACIVSA-N 0 3 397.457 0.161 20 5 GCBDHN COCCN(C)CCN1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270802 1205604928 /nfs/dbraw/zinc/60/49/28/1205604928.db2.gz LAOVDLZQUFOHGD-WHWKNOJMSA-N 0 3 390.440 0.903 20 5 GCBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001132760394 1205650682 /nfs/dbraw/zinc/65/06/82/1205650682.db2.gz BKRDOCWYXSTRAW-QGZVFWFLSA-N 0 3 381.385 0.743 20 5 GCBDHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107513 1205673113 /nfs/dbraw/zinc/67/31/13/1205673113.db2.gz RQXWOJJLVUXQTE-NSHDSACASA-N 0 3 388.398 0.538 20 5 GCBDHN CC(COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[N+](=O)[O-] ZINC000813113300 1205673212 /nfs/dbraw/zinc/67/32/12/1205673212.db2.gz PDXSKAKPIFZEIR-JAHYTXJSSA-N 0 3 375.381 0.998 20 5 GCBDHN CN(C)C(=O)CN(C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698708 1205727043 /nfs/dbraw/zinc/72/70/43/1205727043.db2.gz MEEKMOZLZHDLQM-UHFFFAOYSA-N 0 3 384.458 0.768 20 5 GCBDHN CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC001187824128 1205969388 /nfs/dbraw/zinc/96/93/88/1205969388.db2.gz OMJDOGDCXXDXGR-CABCVRRESA-N 0 3 398.485 0.881 20 5 GCBDHN