smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ncnc(N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164668473 719393997 /nfs/dbraw/zinc/39/39/97/719393997.db2.gz RTOJSIBSYSFHIA-DTWKUNHWSA-N 0 1 295.299 -0.087 20 5 CBBDMN Cc1nnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC001030293495 799292180 /nfs/dbraw/zinc/29/21/80/799292180.db2.gz MIJOVBFWJZSKHF-RKDXNWHRSA-N 0 1 280.288 -0.921 20 5 CBBDMN CC(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001041233546 801379802 /nfs/dbraw/zinc/37/98/02/801379802.db2.gz OJWFMDRMJZKLPJ-NXEZZACHSA-N 0 1 299.327 -0.613 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccnn2C)C1 ZINC001042705797 801511200 /nfs/dbraw/zinc/51/12/00/801511200.db2.gz YRCXGQQJCGTUDU-VXGBXAGGSA-N 0 1 293.327 -0.272 20 5 CBBDMN CC(C)=CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001056870372 802476014 /nfs/dbraw/zinc/47/60/14/802476014.db2.gz CMDHMMUOTBZMGM-GHMZBOCLSA-N 0 1 299.327 -0.445 20 5 CBBDMN C/C=C(\C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057304570 802505672 /nfs/dbraw/zinc/50/56/72/802505672.db2.gz XHALEQIPZVEHNV-VIXUHMKYSA-N 0 1 299.327 -0.445 20 5 CBBDMN O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001322483762 803901641 /nfs/dbraw/zinc/90/16/41/803901641.db2.gz HCBZSKVQTRLASQ-SFYZADRCSA-N 0 1 284.272 -0.307 20 5 CBBDMN CN1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC001324084950 804103173 /nfs/dbraw/zinc/10/31/73/804103173.db2.gz ILNXSZZWKYMJFS-YFKPBYRVSA-N 0 1 253.218 -0.722 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCc2nc[nH]c2C1 ZINC001324129665 804110357 /nfs/dbraw/zinc/11/03/57/804110357.db2.gz XKKZKEFKSGTFAB-ZETCQYMHSA-N 0 1 291.271 -0.417 20 5 CBBDMN Cc1nnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1C ZINC001324889167 804205444 /nfs/dbraw/zinc/20/54/44/804205444.db2.gz CJCPQBQBDVSAMV-UHFFFAOYSA-N 0 1 265.233 -0.315 20 5 CBBDMN CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074583463 805459612 /nfs/dbraw/zinc/45/96/12/805459612.db2.gz FPJHGXCDFQVWIW-NXEZZACHSA-N 0 1 299.327 -0.469 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001152823907 815137720 /nfs/dbraw/zinc/13/77/20/815137720.db2.gz TZUOCLQXLCFEHH-IMSYWVGJSA-N 0 1 283.284 -0.842 20 5 CBBDMN CCn1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(=O)[nH]c1=O ZINC001153015952 815144858 /nfs/dbraw/zinc/14/48/58/815144858.db2.gz XAXBLMGXQAPUKL-HTQZYQBOSA-N 0 1 282.256 -0.750 20 5 CBBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC001154180569 815202577 /nfs/dbraw/zinc/20/25/77/815202577.db2.gz IVYGCGKQBLMJDA-DJLDLDEBSA-N 0 1 276.314 -0.313 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](O)c1cnc[nH]1 ZINC001155083782 815261378 /nfs/dbraw/zinc/26/13/78/815261378.db2.gz OCQXOKADJHZSOM-QMMMGPOBSA-N 0 1 280.244 -0.485 20 5 CBBDMN Cc1ncc([N+](=O)[O-])c([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155573149 815295647 /nfs/dbraw/zinc/29/56/47/815295647.db2.gz YPDGXSXNIDAVCI-KWQFWETISA-N 0 1 278.272 -0.317 20 5 CBBDMN CN(CCNC(=O)c1cnn[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001100400684 811054433 /nfs/dbraw/zinc/05/44/33/811054433.db2.gz LOWKMOPXRJJLTA-UHFFFAOYSA-N 0 1 291.271 -0.026 20 5 CBBDMN COc1nc(-n2nnnc2CN)ccc1[N+](=O)[O-] ZINC001158074433 815500374 /nfs/dbraw/zinc/50/03/74/815500374.db2.gz ACIVXGWTEQSKOB-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN Cn1cc([C@@H](CO)NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC001116502802 812269767 /nfs/dbraw/zinc/26/97/67/812269767.db2.gz CYTDSPMOUKUHIQ-SSDOTTSWSA-N 0 1 280.244 -0.485 20 5 CBBDMN C[C@@H]1CNCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195581 812490303 /nfs/dbraw/zinc/49/03/03/812490303.db2.gz ODXWZEAGNSWALH-SECBINFHSA-N 0 1 280.284 -0.423 20 5 CBBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001158481792 815535678 /nfs/dbraw/zinc/53/56/78/815535678.db2.gz HNQPJZAABZTDBJ-VIFPVBQESA-N 0 1 297.315 -0.106 20 5 CBBDMN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126129532 813616700 /nfs/dbraw/zinc/61/67/00/813616700.db2.gz QMAUVOUUFCJUDN-BWZBUEFSSA-N 0 1 264.303 -0.409 20 5 CBBDMN O=C(NCCNCc1ncccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932086 813695001 /nfs/dbraw/zinc/69/50/01/813695001.db2.gz HQRDFASTMKBSFK-RKDXNWHRSA-N 0 1 265.273 -0.652 20 5 CBBDMN CC(C)n1nnnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932089 813695117 /nfs/dbraw/zinc/69/51/17/813695117.db2.gz HXCQHTQCLPQTHB-RKDXNWHRSA-N 0 1 297.319 -0.875 20 5 CBBDMN CCCc1noc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936887 813696709 /nfs/dbraw/zinc/69/67/09/813696709.db2.gz WDHFEIPCEWNKJB-RKDXNWHRSA-N 0 1 297.315 -0.107 20 5 CBBDMN Cc1cnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001126936695 813697350 /nfs/dbraw/zinc/69/73/50/813697350.db2.gz QXZZGWRCCZSSKC-NXEZZACHSA-N 0 1 279.300 -0.344 20 5 CBBDMN CCc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001126943509 813697469 /nfs/dbraw/zinc/69/74/69/813697469.db2.gz PQGDWUBAAARZRM-HTQZYQBOSA-N 0 1 283.288 -0.497 20 5 CBBDMN O=C(NCCS(=O)(=O)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001129866533 813873786 /nfs/dbraw/zinc/87/37/86/813873786.db2.gz DPWCCIIZASAPRB-HTQZYQBOSA-N 0 1 262.287 -0.655 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(N)=N2)n1 ZINC001133930986 814325761 /nfs/dbraw/zinc/32/57/61/814325761.db2.gz QMZMLCXXHFWVKY-UHFFFAOYSA-N 0 1 252.234 -0.428 20 5 CBBDMN CON(C)C(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001142477884 814714548 /nfs/dbraw/zinc/71/45/48/814714548.db2.gz PSPIFEWTFZEECH-UHFFFAOYSA-N 0 1 257.206 -0.933 20 5 CBBDMN CC(C)(CCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1)[N+](=O)[O-] ZINC001144255203 814774397 /nfs/dbraw/zinc/77/43/97/814774397.db2.gz RQGFTSDXSQBFFL-MRVPVSSYSA-N 0 1 298.303 -0.065 20 5 CBBDMN CC(C)(CCC(=O)N1CCO[C@H](c2nn[nH]n2)C1)[N+](=O)[O-] ZINC001144255204 814774482 /nfs/dbraw/zinc/77/44/82/814774482.db2.gz RQGFTSDXSQBFFL-QMMMGPOBSA-N 0 1 298.303 -0.065 20 5 CBBDMN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001147350944 814890168 /nfs/dbraw/zinc/89/01/68/814890168.db2.gz DQDCNLOLHVOGJJ-SCZZXKLOSA-N 0 1 296.331 -0.318 20 5 CBBDMN CCOCCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001292389258 816444132 /nfs/dbraw/zinc/44/41/32/816444132.db2.gz CRDQFNWCVGPFLX-GHMZBOCLSA-N 0 1 299.327 -0.251 20 5 CBBDMN O=C(C=C1CCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292628830 816473618 /nfs/dbraw/zinc/47/36/18/816473618.db2.gz AAKSHYVNFHOLFP-NXEZZACHSA-N 0 1 267.285 -0.006 20 5 CBBDMN COCC(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294066679 816532592 /nfs/dbraw/zinc/53/25/92/816532592.db2.gz YPEGLMBFOUZMRP-RKDXNWHRSA-N 0 1 273.289 -0.737 20 5 CBBDMN COCCCC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296013768 816595239 /nfs/dbraw/zinc/59/52/39/816595239.db2.gz LJVLAUBLIRKWKJ-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN CCN(CCNC(=O)c1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296268103 816606914 /nfs/dbraw/zinc/60/69/14/816606914.db2.gz ZXOPKRXXIFGGOV-PSASIEDQSA-N 0 1 296.283 -0.082 20 5 CBBDMN COCCNC(=O)C1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001299087934 816709702 /nfs/dbraw/zinc/70/97/02/816709702.db2.gz MNCDSUNVUALFRH-UHFFFAOYSA-N 0 1 297.271 -0.657 20 5 CBBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NC ZINC001299427396 816723711 /nfs/dbraw/zinc/72/37/11/816723711.db2.gz YCJBDSVCLORKEL-RXMQYKEDSA-N 0 1 255.234 -0.428 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)Cc2cnc[nH]2)n1 ZINC001302759775 816756924 /nfs/dbraw/zinc/75/69/24/816756924.db2.gz ZZRGJGBICSWTJV-QMMMGPOBSA-N 0 1 294.271 -0.615 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001308004772 816817730 /nfs/dbraw/zinc/81/77/30/816817730.db2.gz YNVQXCRWICINFY-ZJUUUORDSA-N 0 1 256.262 -0.781 20 5 CBBDMN Cn1ncc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])n1 ZINC001309517373 816831650 /nfs/dbraw/zinc/83/16/50/816831650.db2.gz KTKLIWQNHLNKDP-UHFFFAOYSA-N 0 1 298.284 -0.403 20 5 CBBDMN CN(CCNCc1ncccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317584891 817022855 /nfs/dbraw/zinc/02/28/55/817022855.db2.gz JPPJEECFIKJVFK-NXEZZACHSA-N 0 1 279.300 -0.310 20 5 CBBDMN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001319607629 817225067 /nfs/dbraw/zinc/22/50/67/817225067.db2.gz OBSYNNDBDWQRTL-SECBINFHSA-N 0 1 296.331 -0.316 20 5 CBBDMN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1nnc[nH]1 ZINC001319883617 817250742 /nfs/dbraw/zinc/25/07/42/817250742.db2.gz DQYOHRUIEVZBBA-RXMQYKEDSA-N 0 1 265.233 -0.063 20 5 CBBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnn(C)n1 ZINC001320000871 817266194 /nfs/dbraw/zinc/26/61/94/817266194.db2.gz YDTNVWLLMWVMJQ-GHMZBOCLSA-N 0 1 296.331 -0.630 20 5 CBBDMN O=C(NCCCOCCO)c1n[nH]cc1[N+](=O)[O-] ZINC001320059220 817273308 /nfs/dbraw/zinc/27/33/08/817273308.db2.gz HLFKRDSCROZOIE-UHFFFAOYSA-N 0 1 258.234 -0.553 20 5 CBBDMN O=C(NCC1OCCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001320782476 817392408 /nfs/dbraw/zinc/39/24/08/817392408.db2.gz MZPMKXBFRRKWKW-UHFFFAOYSA-N 0 1 256.218 -0.189 20 5 CBBDMN Cc1ccnc(N2CCNC(=O)C23CNC3)c1[N+](=O)[O-] ZINC001165297151 819951173 /nfs/dbraw/zinc/95/11/73/819951173.db2.gz BBNRHFNKEQRHNJ-UHFFFAOYSA-N 0 1 277.284 -0.424 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001165438123 819963061 /nfs/dbraw/zinc/96/30/61/819963061.db2.gz DKWXWSZGYFPQJN-SECBINFHSA-N 0 1 281.272 -0.356 20 5 CBBDMN CCOC(=O)c1cnc(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001168919026 820191598 /nfs/dbraw/zinc/19/15/98/820191598.db2.gz REBZGNZODYLPEG-UHFFFAOYSA-N 0 1 293.243 -0.399 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])cc(-n2nnnc2CN)n1 ZINC001168919000 820191804 /nfs/dbraw/zinc/19/18/04/820191804.db2.gz PYRLKDCMURJGGI-UHFFFAOYSA-N 0 1 279.216 -0.789 20 5 CBBDMN COc1ccc(C[C@@H](C)N[C@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306609 820286577 /nfs/dbraw/zinc/28/65/77/820286577.db2.gz YMYKNZNNLKLXMF-LDYMZIIASA-N 0 1 297.311 -0.030 20 5 CBBDMN Cc1ocnc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282934067 828474547 /nfs/dbraw/zinc/47/45/47/828474547.db2.gz QEZBESDHXLMFLV-HTQZYQBOSA-N 0 1 282.256 -0.506 20 5 CBBDMN O=C(Cc1cncs1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283004959 828488497 /nfs/dbraw/zinc/48/84/97/828488497.db2.gz MJZUHTMIFACMBG-RKDXNWHRSA-N 0 1 298.324 -0.417 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)c[nH]1 ZINC001283004337 828488606 /nfs/dbraw/zinc/48/86/06/828488606.db2.gz CUVITYKHBXSFTI-VXNVDRBHSA-N 0 1 284.247 -0.335 20 5 CBBDMN CCCOCC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284522199 828608078 /nfs/dbraw/zinc/60/80/78/828608078.db2.gz SJVVGBAOHKOMDE-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccncc1 ZINC001284521754 828608086 /nfs/dbraw/zinc/60/80/86/828608086.db2.gz JMQZVUFMBANRQT-GHMZBOCLSA-N 0 1 292.295 -0.065 20 5 CBBDMN Cc1c[nH]c(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001284521507 828608634 /nfs/dbraw/zinc/60/86/34/828608634.db2.gz ADIVEENZDFVPAT-RKDXNWHRSA-N 0 1 295.299 -0.428 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCn1ccnn1 ZINC001213429944 824511934 /nfs/dbraw/zinc/51/19/34/824511934.db2.gz FOFUWGMLVJSZKI-UHFFFAOYSA-N 0 1 298.284 -0.440 20 5 CBBDMN COC(=O)c1c[n-]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001230279904 825345628 /nfs/dbraw/zinc/34/56/28/825345628.db2.gz JOIASZSPGKCJSU-MRVPVSSYSA-O 0 1 286.308 -0.441 20 5 CBBDMN Cc1nn(C)c(C(=O)NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC001254239280 825948248 /nfs/dbraw/zinc/94/82/48/825948248.db2.gz XOFIJELVRRREIS-UHFFFAOYSA-N 0 1 265.233 -0.315 20 5 CBBDMN C[C@@H]1OCC[C@@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001256261709 826006841 /nfs/dbraw/zinc/00/68/41/826006841.db2.gz CFTHOWRNKQYGMH-QUBYGPBYSA-N 0 1 270.245 -0.412 20 5 CBBDMN CN1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC001256346400 826017574 /nfs/dbraw/zinc/01/75/74/826017574.db2.gz GMKOLIUCKZSOSU-ZCFIWIBFSA-N 0 1 267.245 -0.332 20 5 CBBDMN CCN(C)C(=O)CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001268825828 827426994 /nfs/dbraw/zinc/42/69/94/827426994.db2.gz SSRVHROAXPUQMC-GHMZBOCLSA-N 0 1 298.343 -0.822 20 5 CBBDMN O=C(NC[C@]1(O)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001344578681 890044287 /nfs/dbraw/zinc/04/42/87/890044287.db2.gz FPFMNGOGFVGHHP-SECBINFHSA-N 0 1 256.218 -0.801 20 5 CBBDMN O=C(CC1CC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976082 884623763 /nfs/dbraw/zinc/62/37/63/884623763.db2.gz XDFQOUDAEOMDEY-NXEZZACHSA-N 0 1 297.311 -0.859 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C[C@H]2CO)c1 ZINC001175678143 884695221 /nfs/dbraw/zinc/69/52/21/884695221.db2.gz MLDUXHNVKMTHGO-GXSJLCMTSA-N 0 1 268.273 -0.615 20 5 CBBDMN O=C(NC1CCN([C@@H]2CCOC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001446598423 912912045 /nfs/dbraw/zinc/91/20/45/912912045.db2.gz QQFRRSTVGJFRFT-GMTAPVOTSA-N 0 1 297.311 -0.452 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CCC(O)(CO)CC2)c1 ZINC001327548645 885401264 /nfs/dbraw/zinc/40/12/64/885401264.db2.gz JTYOXXAHHCYKSK-UHFFFAOYSA-N 0 1 270.289 -0.390 20 5 CBBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C(=O)[O-])C1 ZINC001328606408 885741369 /nfs/dbraw/zinc/74/13/69/885741369.db2.gz JRXQKDYLTQGGFW-ZETCQYMHSA-N 0 1 296.287 -0.580 20 5 CBBDMN C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C(=O)[O-])O1 ZINC001328784503 885814145 /nfs/dbraw/zinc/81/41/45/885814145.db2.gz WBTYPPJKZOBZAE-RKDXNWHRSA-N 0 1 284.272 -0.035 20 5 CBBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C(=O)[O-])O1 ZINC001328784503 885814170 /nfs/dbraw/zinc/81/41/70/885814170.db2.gz WBTYPPJKZOBZAE-RKDXNWHRSA-N 0 1 284.272 -0.035 20 5 CBBDMN C[C@@H]1[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCS1(=O)=O ZINC001329102934 885930060 /nfs/dbraw/zinc/93/00/60/885930060.db2.gz QWVPSXFFLXSEEE-PHDIDXHHSA-N 0 1 288.285 -0.377 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001329200742 885965065 /nfs/dbraw/zinc/96/50/65/885965065.db2.gz GZDLKQFNPHQXMM-UWVGGRQHSA-N 0 1 296.279 -0.027 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](O)C2)n1 ZINC001330216318 886394713 /nfs/dbraw/zinc/39/47/13/886394713.db2.gz YXRZQIMVFPLGAC-QMMMGPOBSA-N 0 1 283.288 -0.875 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](CO)C1 ZINC001333428877 887635506 /nfs/dbraw/zinc/63/55/06/887635506.db2.gz LKLUVSAVKRZOSP-GFCCVEGCSA-N 0 1 296.327 -0.635 20 5 CBBDMN CC(=O)OC[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001344391402 890024177 /nfs/dbraw/zinc/02/41/77/890024177.db2.gz HEXACHOOAYDLPA-VIFPVBQESA-N 0 1 298.251 -0.046 20 5 CBBDMN O=C(COc1cccnc1[N+](=O)[O-])N1CCNCC1 ZINC001349112279 890761567 /nfs/dbraw/zinc/76/15/67/890761567.db2.gz JLDVDKUJXGCCMQ-UHFFFAOYSA-N 0 1 266.257 -0.200 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(C)(C)O ZINC001355591569 891691962 /nfs/dbraw/zinc/69/19/62/891691962.db2.gz DVGCMXMFVUAFQR-RKDXNWHRSA-N 0 1 287.316 -0.613 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncnc1 ZINC001355591836 891692906 /nfs/dbraw/zinc/69/29/06/891692906.db2.gz IRAUCCTWAVBPQV-NXEZZACHSA-N 0 1 293.283 -0.670 20 5 CBBDMN CCN(CCNC(=O)C(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355954391 891717979 /nfs/dbraw/zinc/71/79/79/891717979.db2.gz IRZCLVOUQLUOGB-RNFRBKRXSA-N 0 1 279.243 -0.119 20 5 CBBDMN COCCCCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356747692 891796724 /nfs/dbraw/zinc/79/67/24/891796724.db2.gz BIQKPJUCXZSULO-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CCOCCCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356758122 891801503 /nfs/dbraw/zinc/80/15/03/891801503.db2.gz BFIQCFKHQKPRGQ-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001451815215 913912685 /nfs/dbraw/zinc/91/26/85/913912685.db2.gz CNUSEJUPQDYLLY-QMMMGPOBSA-N 0 1 281.272 -0.023 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1c1nnc[nH]1 ZINC001453841825 914147367 /nfs/dbraw/zinc/14/73/67/914147367.db2.gz PRHKAIJUIAYEPM-ZETCQYMHSA-N 0 1 292.259 -0.332 20 5 CBBDMN O=C(NC1CN(c2ccncn2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001455003145 914275324 /nfs/dbraw/zinc/27/53/24/914275324.db2.gz PSFDMSRYONZGJH-UHFFFAOYSA-N 0 1 289.255 -0.274 20 5 CBBDMN COCc1nnc2n1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001461370513 914851832 /nfs/dbraw/zinc/85/18/32/914851832.db2.gz SQAXYDQLLWQBDV-HTQZYQBOSA-N 0 1 281.272 -0.568 20 5 CBBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccon1 ZINC001505966044 921513952 /nfs/dbraw/zinc/51/39/52/921513952.db2.gz BQLNCGJZPGEQEA-VXNVDRBHSA-N 0 1 294.267 -0.282 20 5 CBBDMN CN(C)c1nccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001435689746 910410349 /nfs/dbraw/zinc/41/03/49/910410349.db2.gz RZHHUWJEVOHYAI-RKDXNWHRSA-N 0 1 265.273 -0.176 20 5 CBBDMN NC(=O)COc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001465532664 915058065 /nfs/dbraw/zinc/05/80/65/915058065.db2.gz LZDJSWWAGFSOCN-GHMZBOCLSA-N 0 1 293.279 -0.168 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCC2)n1 ZINC001468606148 915316628 /nfs/dbraw/zinc/31/66/28/915316628.db2.gz OYXPCARHQKRFNO-SECBINFHSA-N 0 1 297.315 -0.485 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001469256671 915391439 /nfs/dbraw/zinc/39/14/39/915391439.db2.gz RKLFIPGWWUGNLF-SSDOTTSWSA-N 0 1 292.259 -0.680 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001469256673 915393780 /nfs/dbraw/zinc/39/37/80/915393780.db2.gz RKLFIPGWWUGNLF-ZETCQYMHSA-N 0 1 292.259 -0.680 20 5 CBBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001482596848 917175140 /nfs/dbraw/zinc/17/51/40/917175140.db2.gz ZIFOTTFRZGTGIM-VXGBXAGGSA-N 0 1 295.343 -0.025 20 5 CBBDMN O=C(Cc1ccoc1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491247471 919090237 /nfs/dbraw/zinc/09/02/37/919090237.db2.gz DAVBRDSMWUHMCT-NXEZZACHSA-N 0 1 281.268 -0.280 20 5 CBBDMN Cc1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001491283517 919104702 /nfs/dbraw/zinc/10/47/02/919104702.db2.gz RLBMYEMJBNTSAU-GHMZBOCLSA-N 0 1 292.295 -0.099 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnsn1 ZINC001491613167 919228531 /nfs/dbraw/zinc/22/85/31/919228531.db2.gz ZIJNERIHJFELNT-HTRCEHHLSA-N 0 1 299.312 -0.561 20 5 CBBDMN CN(CCNC(=O)c1cocn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001495914013 919984158 /nfs/dbraw/zinc/98/41/58/919984158.db2.gz YGFQZHSTGWUELZ-VXNVDRBHSA-N 0 1 282.256 -0.472 20 5 CBBDMN Cc1ncc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001522540822 922459955 /nfs/dbraw/zinc/45/99/55/922459955.db2.gz FFIYKBNRUSYZDD-HTQZYQBOSA-N 0 1 298.324 -0.037 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncccc1O ZINC001522599632 922480269 /nfs/dbraw/zinc/48/02/69/922480269.db2.gz HTQKMVKTLQVVFC-HTQZYQBOSA-N 0 1 294.267 -0.702 20 5 CBBDMN Cc1c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1C ZINC001522625627 922493373 /nfs/dbraw/zinc/49/33/73/922493373.db2.gz CMLLNYXYGYHRAB-GHMZBOCLSA-N 0 1 294.311 -0.155 20 5 CBBDMN CCOCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001523189439 922572534 /nfs/dbraw/zinc/57/25/34/922572534.db2.gz YGBHZFYFOKJANF-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CN(CCCNC(=O)c1cnon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001523724826 922603553 /nfs/dbraw/zinc/60/35/53/922603553.db2.gz DVPCFZNISKQYBM-VXNVDRBHSA-N 0 1 297.271 -0.687 20 5 CBBDMN C[C@H]([C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC001529306225 922888360 /nfs/dbraw/zinc/88/83/60/922888360.db2.gz UDAKVYZULATCTI-JQCXWYLXSA-N 0 1 278.330 -0.068 20 5 CBBDMN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001544139059 923298270 /nfs/dbraw/zinc/29/82/70/923298270.db2.gz JHNYCYIFKPTNEV-PSASIEDQSA-N 0 1 296.331 -0.318 20 5 CBBDMN O=C(N[C@@H](CO)[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001546304521 923342843 /nfs/dbraw/zinc/34/28/43/923342843.db2.gz JNGVQWOAEXGRNE-RQJHMYQMSA-N 0 1 270.245 -0.555 20 5 CBBDMN Cc1[nH]ncc1CN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001557149948 924111208 /nfs/dbraw/zinc/11/12/08/924111208.db2.gz HTLUQRCMHMUZDS-UHFFFAOYSA-N 0 1 279.260 -0.124 20 5 CBBDMN O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001558437249 924174018 /nfs/dbraw/zinc/17/40/18/924174018.db2.gz HBMYKPRSCOPICF-FJPPDTINSA-N 0 1 282.252 -0.086 20 5 CBBDMN CC1C(=O)N=C(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])NC1=O ZINC001558532990 924180836 /nfs/dbraw/zinc/18/08/36/924180836.db2.gz XFOHBZNYLIHRSF-HTQZYQBOSA-N 0 1 296.283 -0.138 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CCC1 ZINC000337574120 214163509 /nfs/dbraw/zinc/16/35/09/214163509.db2.gz FFNNZWYMTNUFAW-UHFFFAOYSA-N 0 1 253.262 -0.387 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCC1 ZINC000337598880 214175264 /nfs/dbraw/zinc/17/52/64/214175264.db2.gz QNJWYQHLABXPGO-UHFFFAOYSA-N 0 1 280.284 -0.422 20 5 CBBDMN COC[C@@](C)(CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000351629584 219154802 /nfs/dbraw/zinc/15/48/02/219154802.db2.gz CILBZGRDTJFFCE-SNVBAGLBSA-N 0 1 272.261 -0.165 20 5 CBBDMN CN(C[C@H](O)CO)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000271247369 191026114 /nfs/dbraw/zinc/02/61/14/191026114.db2.gz GLNHYCDMLMUZQS-QMMMGPOBSA-N 0 1 294.267 -0.104 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CCNC2=O)CC1 ZINC000055786758 351544891 /nfs/dbraw/zinc/54/48/91/351544891.db2.gz ZSRJEFMCEIYHCY-NXEZZACHSA-N 0 1 282.300 -0.332 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCNCC1 ZINC000057878212 351556667 /nfs/dbraw/zinc/55/66/67/351556667.db2.gz RHMOEKAAPPYCTH-UHFFFAOYSA-N 0 1 266.257 -0.812 20 5 CBBDMN CC(C)NC(=O)CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708180 352049366 /nfs/dbraw/zinc/04/93/66/352049366.db2.gz PNXFGDJRFXOHRA-LLVKDONJSA-N 0 1 299.331 -0.391 20 5 CBBDMN C[C@@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000189358682 352168079 /nfs/dbraw/zinc/16/80/79/352168079.db2.gz LLWFTHMDOWGDKD-LLVKDONJSA-N 0 1 283.332 -0.210 20 5 CBBDMN C[NH+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188041997 352146680 /nfs/dbraw/zinc/14/66/80/352146680.db2.gz UNFSNWNTBPWKQB-UHFFFAOYSA-N 0 1 254.246 -0.013 20 5 CBBDMN COc1cc(CNC[C@H](O)CO)c([N+](=O)[O-])cc1O ZINC000276704294 352560985 /nfs/dbraw/zinc/56/09/85/352560985.db2.gz FRYKCWJDVKQTHQ-QMMMGPOBSA-N 0 1 272.257 -0.248 20 5 CBBDMN O=C(NCCNC(=O)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343097182 353252233 /nfs/dbraw/zinc/25/22/33/353252233.db2.gz MTLSZYQDTCKSQK-UHFFFAOYSA-N 0 1 267.245 -0.426 20 5 CBBDMN C[C@@H]1COCCN1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343684178 353284491 /nfs/dbraw/zinc/28/44/91/353284491.db2.gz CFLJYJNDUHBKQR-MRVPVSSYSA-N 0 1 283.288 -0.232 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)Cc2nnnn2C)c1[N+](=O)[O-] ZINC000343802602 353292069 /nfs/dbraw/zinc/29/20/69/353292069.db2.gz ZXAXOSMTWFTRLF-UHFFFAOYSA-N 0 1 280.248 -0.578 20 5 CBBDMN CC[NH2+]CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000353218363 353529294 /nfs/dbraw/zinc/52/92/94/353529294.db2.gz OADCFRVJMNAHQZ-UHFFFAOYSA-N 0 1 291.333 -0.301 20 5 CBBDMN CC1=CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000358062982 353623536 /nfs/dbraw/zinc/62/35/36/353623536.db2.gz IMHLUMHMIKDNRK-UHFFFAOYSA-N 0 1 294.315 -0.046 20 5 CBBDMN COCCN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1=O ZINC000364936246 353673049 /nfs/dbraw/zinc/67/30/49/353673049.db2.gz RQRVCTABLGPOLJ-VHSXEESVSA-N 0 1 285.300 -0.641 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)n1 ZINC000370926604 353693620 /nfs/dbraw/zinc/69/36/20/353693620.db2.gz CADZONDTHFHQRM-LPEHRKFASA-N 0 1 279.300 -0.220 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)n1 ZINC000370925299 353693628 /nfs/dbraw/zinc/69/36/28/353693628.db2.gz VMDZTEVQYIZTKI-CIUDSAMLSA-N 0 1 293.283 -0.693 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000373563101 353733517 /nfs/dbraw/zinc/73/35/17/353733517.db2.gz TTWQCUCQWFPLNQ-XAVMHZPKSA-N 0 1 256.258 -0.081 20 5 CBBDMN COC(=O)[C@]12CN(C(=O)[C@H]3CC3[N+](=O)[O-])C[C@H]1COCC2 ZINC000373669869 353734984 /nfs/dbraw/zinc/73/49/84/353734984.db2.gz PRHKURBGYHSXOA-AVWBDOJWSA-N 0 1 298.295 -0.310 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(F)(F)C[C@@H]1CO ZINC000372548002 353718725 /nfs/dbraw/zinc/71/87/25/353718725.db2.gz PLLLDXWCZBJLAA-FSDSQADBSA-N 0 1 250.201 -0.120 20 5 CBBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372709495 353721157 /nfs/dbraw/zinc/72/11/57/353721157.db2.gz AZSFLZWHIKBMNR-VFCFLDTKSA-N 0 1 267.285 -0.236 20 5 CBBDMN Cn1ncnc1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000375220120 353756517 /nfs/dbraw/zinc/75/65/17/353756517.db2.gz UPIGTKGEZKZAPL-VGMNWLOBSA-N 0 1 281.272 -0.620 20 5 CBBDMN O=C(NC1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000375298902 353758105 /nfs/dbraw/zinc/75/81/05/353758105.db2.gz XTKQMDRYKUNPSA-DTWKUNHWSA-N 0 1 253.258 -0.611 20 5 CBBDMN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375445553 353760003 /nfs/dbraw/zinc/76/00/03/353760003.db2.gz AGJRXUVCAHRFMZ-GBNDHIKLSA-N 0 1 295.217 -0.226 20 5 CBBDMN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000376410349 353774729 /nfs/dbraw/zinc/77/47/29/353774729.db2.gz GWISJGMSRKCERT-MAUMQABQSA-N 0 1 272.257 -0.824 20 5 CBBDMN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CC1[N+](=O)[O-] ZINC000374235079 353743368 /nfs/dbraw/zinc/74/33/68/353743368.db2.gz ZYLMLIWCQVDDMP-CSMHCCOUSA-N 0 1 251.246 -0.626 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]C[C@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000447239505 354293329 /nfs/dbraw/zinc/29/33/29/354293329.db2.gz NICXVXRROIWVII-SSDOTTSWSA-N 0 1 291.333 -0.316 20 5 CBBDMN C[N@@H+]1CC[C@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207102 354281120 /nfs/dbraw/zinc/28/11/20/354281120.db2.gz BTWBDDAQXJXPGG-LBPRGKRZSA-N 0 1 296.283 -0.508 20 5 CBBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207102 354281123 /nfs/dbraw/zinc/28/11/23/354281123.db2.gz BTWBDDAQXJXPGG-LBPRGKRZSA-N 0 1 296.283 -0.508 20 5 CBBDMN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451289429 354335893 /nfs/dbraw/zinc/33/58/93/354335893.db2.gz WDGSRGJFHBFCJQ-LLVKDONJSA-N 0 1 270.289 -0.127 20 5 CBBDMN CN(C)C(=O)O[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000495925396 354526875 /nfs/dbraw/zinc/52/68/75/354526875.db2.gz CTVOCQSFGNXNLA-DJLDLDEBSA-N 0 1 271.273 -0.049 20 5 CBBDMN COCC[NH2+]CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000564083428 354709814 /nfs/dbraw/zinc/70/98/14/354709814.db2.gz JWAGLJHIVKBMQI-UHFFFAOYSA-N 0 1 257.250 -0.716 20 5 CBBDMN O=C(C[C@@H]1COCCN1)NCCn1cc([N+](=O)[O-])cn1 ZINC000573083439 354903959 /nfs/dbraw/zinc/90/39/59/354903959.db2.gz NDSWMZMCWJJHOA-SECBINFHSA-N 0 1 283.288 -0.714 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000588805590 355061184 /nfs/dbraw/zinc/06/11/84/355061184.db2.gz NYOIQAVDBLPAGQ-SSDOTTSWSA-N 0 1 281.272 -0.036 20 5 CBBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000592551676 355161486 /nfs/dbraw/zinc/16/14/86/355161486.db2.gz KPHDGDDZSPDIIQ-SECBINFHSA-N 0 1 296.283 -0.100 20 5 CBBDMN O=C(NCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592289860 355146468 /nfs/dbraw/zinc/14/64/68/355146468.db2.gz NRMLSWHXLBWBNM-UHFFFAOYSA-N 0 1 295.299 -0.670 20 5 CBBDMN COC[C@@H]1C[C@@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000593061567 355191331 /nfs/dbraw/zinc/19/13/31/355191331.db2.gz SLWRDLKAOZRQJO-VHSXEESVSA-N 0 1 270.289 -0.127 20 5 CBBDMN CC(=O)NCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744460 355260035 /nfs/dbraw/zinc/26/00/35/355260035.db2.gz LDVLATSDNSNLGD-UHFFFAOYSA-N 0 1 288.285 -0.596 20 5 CBBDMN CNC(=O)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756303 355260401 /nfs/dbraw/zinc/26/04/01/355260401.db2.gz XTXXOFJNPNTAON-LURJTMIESA-N 0 1 288.285 -0.597 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1n[nH]c(=O)o1 ZINC000595546298 355293943 /nfs/dbraw/zinc/29/39/43/355293943.db2.gz CRBXDZJMERJZTG-UHFFFAOYSA-N 0 1 295.255 -0.023 20 5 CBBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(O)CNC1 ZINC000595926409 355319345 /nfs/dbraw/zinc/31/93/45/355319345.db2.gz FBKAFNBSMRPLTQ-UHFFFAOYSA-N 0 1 265.269 -0.113 20 5 CBBDMN COC(=O)c1cc(NC(=O)C2(O)CNC2)cc([N+](=O)[O-])c1 ZINC000595928369 355319846 /nfs/dbraw/zinc/31/98/46/355319846.db2.gz CDOLRYVRTHLJRA-UHFFFAOYSA-N 0 1 295.251 -0.346 20 5 CBBDMN COc1ccc(NC(=O)C2(O)CNC2)cc1[N+](=O)[O-] ZINC000595950189 355326019 /nfs/dbraw/zinc/32/60/19/355326019.db2.gz CCHFTAPRZLXHFM-UHFFFAOYSA-N 0 1 267.241 -0.124 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCOC2(C[NH2+]C2)C1 ZINC000596106110 355343907 /nfs/dbraw/zinc/34/39/07/355343907.db2.gz OPVQOQLZBZOCCX-UHFFFAOYSA-N 0 1 267.245 -0.868 20 5 CBBDMN O=C(NC[C@H]1CN2CCN1CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000597623597 355401995 /nfs/dbraw/zinc/40/19/95/355401995.db2.gz BFJOGXPGYPGNDW-VIFPVBQESA-N 0 1 294.315 -0.562 20 5 CBBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598744560 355452745 /nfs/dbraw/zinc/45/27/45/355452745.db2.gz HEDFEZVAUFCEDV-UHFFFAOYSA-N 0 1 268.189 -0.321 20 5 CBBDMN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098702 355464261 /nfs/dbraw/zinc/46/42/61/355464261.db2.gz YPPGHXXMGDFKQD-SSDOTTSWSA-N 0 1 291.333 -0.410 20 5 CBBDMN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106922 355464319 /nfs/dbraw/zinc/46/43/19/355464319.db2.gz ISMFZSZIRAEGOD-LURJTMIESA-N 0 1 277.306 -0.656 20 5 CBBDMN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599241217 355473919 /nfs/dbraw/zinc/47/39/19/355473919.db2.gz OCDWQTDNEPYQSN-NKWVEPMBSA-N 0 1 292.317 -0.377 20 5 CBBDMN CC(C)[C@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599243944 355473921 /nfs/dbraw/zinc/47/39/21/355473921.db2.gz WSAVWNSOEMJVCS-MRVPVSSYSA-N 0 1 292.317 -0.377 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CCC2)n1 ZINC000599266702 355474782 /nfs/dbraw/zinc/47/47/82/355474782.db2.gz QFWBOZJCHODJAK-UHFFFAOYSA-N 0 1 289.317 -0.688 20 5 CBBDMN CC[C@@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599261602 355475093 /nfs/dbraw/zinc/47/50/93/355475093.db2.gz UBMIXAGXCGREQU-SSDOTTSWSA-N 0 1 292.317 -0.232 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC/C=C\CO)n1 ZINC000599339311 355481294 /nfs/dbraw/zinc/48/12/94/355481294.db2.gz MZJTUJZXLPPGLH-IHWYPQMZSA-N 0 1 276.274 -0.845 20 5 CBBDMN O=C(NCCN1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000600698984 355561435 /nfs/dbraw/zinc/56/14/35/355561435.db2.gz HECSTJNKQUFAMS-VIFPVBQESA-N 0 1 268.273 -0.281 20 5 CBBDMN Cc1n[nH]c(C(=O)NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809575 355566949 /nfs/dbraw/zinc/56/69/49/355566949.db2.gz VALVALKRCBRICH-QMMMGPOBSA-N 0 1 283.288 -0.577 20 5 CBBDMN O=C(NCc1c[nH]nn1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618381946 356188869 /nfs/dbraw/zinc/18/88/69/356188869.db2.gz QRBLEYYEOVZLSI-UHFFFAOYSA-N 0 1 264.201 -0.257 20 5 CBBDMN CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000341797414 216108866 /nfs/dbraw/zinc/10/88/66/216108866.db2.gz KVNYFOULJOQQAZ-VIFPVBQESA-N 0 1 282.304 -0.261 20 5 CBBDMN C[C@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178496224 189121139 /nfs/dbraw/zinc/12/11/39/189121139.db2.gz XRARRZUEQIKSFC-QMMMGPOBSA-N 0 1 253.262 -0.388 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000179180202 189175393 /nfs/dbraw/zinc/17/53/93/189175393.db2.gz LBNFFWFBRZETRG-QMMMGPOBSA-N 0 1 253.262 -0.388 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275443713 193039577 /nfs/dbraw/zinc/03/95/77/193039577.db2.gz MIGABNPTUUTJFA-MRVPVSSYSA-N 0 1 297.315 -0.235 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CCC[NH3+])c([N+](=O)[O-])n1 ZINC000353270145 220000777 /nfs/dbraw/zinc/00/07/77/220000777.db2.gz ZVRQTZZKXCSCHZ-UHFFFAOYSA-N 0 1 277.306 -0.562 20 5 CBBDMN COCC[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344003666 217011121 /nfs/dbraw/zinc/01/11/21/217011121.db2.gz CSGQERHRDYEQNA-JTQLQIEISA-N 0 1 272.261 -0.165 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CC(C)(C)[NH3+])c([N+](=O)[O-])n1 ZINC000353459423 220094877 /nfs/dbraw/zinc/09/48/77/220094877.db2.gz TXQNQGCXSMRGLO-UHFFFAOYSA-N 0 1 291.333 -0.173 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1COC[C@H]1O ZINC000285888003 372946619 /nfs/dbraw/zinc/94/66/19/372946619.db2.gz JVAKOYWVQAIGFC-GHMZBOCLSA-N 0 1 283.284 -0.552 20 5 CBBDMN COC(=O)C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000344868926 217339038 /nfs/dbraw/zinc/33/90/38/217339038.db2.gz BCNLCSLJYFFRRR-NSHDSACASA-N 0 1 298.255 -0.230 20 5 CBBDMN CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363618564 373501000 /nfs/dbraw/zinc/50/10/00/373501000.db2.gz OWZCZNYZZGMKMP-RKDXNWHRSA-N 0 1 291.329 -0.855 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@](=O)C1 ZINC000365329000 373522914 /nfs/dbraw/zinc/52/29/14/373522914.db2.gz GYTMWSDSPKHKGT-FOFDBVRNSA-N 0 1 260.315 -0.121 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000408201310 373605641 /nfs/dbraw/zinc/60/56/41/373605641.db2.gz HUJNHCPUVMGQDR-VIFPVBQESA-N 0 1 295.299 -0.217 20 5 CBBDMN Cn1cc([C@H](CO)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000494810280 373743016 /nfs/dbraw/zinc/74/30/16/373743016.db2.gz RKJIHHWOMQWNFF-NSHDSACASA-N 0 1 280.288 -0.152 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000552378319 374266748 /nfs/dbraw/zinc/26/67/48/374266748.db2.gz WKUPBAIPDIWRMS-LURJTMIESA-N 0 1 292.259 -0.149 20 5 CBBDMN O=C(NCCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccn[nH]1 ZINC000356993084 248307385 /nfs/dbraw/zinc/30/73/85/248307385.db2.gz CZBMLHHFJRPRNT-UHFFFAOYSA-N 0 1 293.243 -0.799 20 5 CBBDMN CCN(C)C(=O)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356609692 248273396 /nfs/dbraw/zinc/27/33/96/248273396.db2.gz NWMJVPXJYJNPHC-ZCFIWIBFSA-N 0 1 269.261 -0.086 20 5 CBBDMN NC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357639700 248388649 /nfs/dbraw/zinc/38/86/49/248388649.db2.gz WDAQHDIZOMBVFI-UHFFFAOYSA-N 0 1 263.213 -0.314 20 5 CBBDMN COC(=O)[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]1COCC2 ZINC000373669871 248834596 /nfs/dbraw/zinc/83/45/96/248834596.db2.gz PRHKURBGYHSXOA-MPXOCVNLSA-N 0 1 298.295 -0.310 20 5 CBBDMN NCC(=O)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000347693590 218325202 /nfs/dbraw/zinc/32/52/02/218325202.db2.gz OXJPCMXALVCAKG-UHFFFAOYSA-N 0 1 295.299 -0.802 20 5 CBBDMN Cn1c(C(=O)NC[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000347884311 218389254 /nfs/dbraw/zinc/38/92/54/218389254.db2.gz LQTIEHVUMSNBDX-SNVBAGLBSA-N 0 1 295.343 -0.091 20 5 CBBDMN CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000268245352 190389217 /nfs/dbraw/zinc/38/92/17/190389217.db2.gz WBXNFRBYUSITHB-MRVPVSSYSA-N 0 1 294.275 -0.038 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)N1 ZINC000154087205 207381554 /nfs/dbraw/zinc/38/15/54/207381554.db2.gz JDYBFYGBYUACHU-NXEZZACHSA-N 0 1 294.311 -0.035 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000444096948 208399832 /nfs/dbraw/zinc/39/98/32/208399832.db2.gz MCQYVTZXTIIUAY-ZETCQYMHSA-N 0 1 281.272 -0.030 20 5 CBBDMN CN1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285642834 196353162 /nfs/dbraw/zinc/35/31/62/196353162.db2.gz FLVBLHBFVKPUGN-NXEZZACHSA-N 0 1 295.299 -0.137 20 5 CBBDMN O=[N+]([O-])c1cnc(N2CCCN(CCO)CC2)nc1 ZINC000071349616 176133566 /nfs/dbraw/zinc/13/35/66/176133566.db2.gz DCNJBTAKZSVHKE-UHFFFAOYSA-N 0 1 267.289 -0.111 20 5 CBBDMN O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCNCC1 ZINC000040507970 419419303 /nfs/dbraw/zinc/41/93/03/419419303.db2.gz CLHKQMSSMCBPKY-UHFFFAOYSA-N 0 1 281.272 -0.916 20 5 CBBDMN O=C(NCCc1nc[nH]n1)Nc1ccncc1[N+](=O)[O-] ZINC000359023953 419937358 /nfs/dbraw/zinc/93/73/58/419937358.db2.gz HCJVEVBTRDCEEO-UHFFFAOYSA-N 0 1 277.244 -0.106 20 5 CBBDMN CCC[C@@H]1CNCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000359218763 419948851 /nfs/dbraw/zinc/94/88/51/419948851.db2.gz PBKVPARJDZFXRN-SECBINFHSA-N 0 1 282.304 -0.213 20 5 CBBDMN COCCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000364936248 420049503 /nfs/dbraw/zinc/04/95/03/420049503.db2.gz RQRVCTABLGPOLJ-ZJUUUORDSA-N 0 1 285.300 -0.641 20 5 CBBDMN COCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000366034646 420075651 /nfs/dbraw/zinc/07/56/51/420075651.db2.gz XUYIKDQRCQVZJS-HRDYMLBCSA-N 0 1 295.299 -0.479 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Nc2cccnn2)CC1 ZINC000373955056 420191431 /nfs/dbraw/zinc/19/14/31/420191431.db2.gz UDIJVLOBXHRQEW-MNOVXSKESA-N 0 1 291.311 0.545 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370248804 420174974 /nfs/dbraw/zinc/17/49/74/420174974.db2.gz CNDPRVWBCDGJNP-MAUMQABQSA-N 0 1 272.257 -0.560 20 5 CBBDMN COC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000497093037 420339167 /nfs/dbraw/zinc/33/91/67/420339167.db2.gz JMENAKANMKPYOF-HTQZYQBOSA-N 0 1 257.246 -0.438 20 5 CBBDMN Cn1ccc(NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000560567976 420431953 /nfs/dbraw/zinc/43/19/53/420431953.db2.gz LRDWBGSOQSLPOT-UHFFFAOYSA-N 0 1 279.260 -0.107 20 5 CBBDMN CCc1nnc2n1C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000377504841 230290151 /nfs/dbraw/zinc/29/01/51/230290151.db2.gz XXGBEDGINYXJFZ-IWSPIJDZSA-N 0 1 279.300 -0.063 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1[N+](=O)[O-] ZINC000584303766 327233374 /nfs/dbraw/zinc/23/33/74/327233374.db2.gz OKZUBIQRYKDYLM-OCAPTIKFSA-N 0 1 282.256 -0.134 20 5 CBBDMN C[C@@H]1NCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000581370839 336063313 /nfs/dbraw/zinc/06/33/13/336063313.db2.gz DQTYQVICKUMNBV-UWVGGRQHSA-N 0 1 294.311 -0.035 20 5 CBBDMN CCOC(=O)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138162405 582126286 /nfs/dbraw/zinc/12/62/86/582126286.db2.gz NNIHJBCDURREIJ-RXMQYKEDSA-N 0 1 256.218 -0.001 20 5 CBBDMN Cn1nccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000196747990 582126788 /nfs/dbraw/zinc/12/67/88/582126788.db2.gz QEPMFTQKFNAACT-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN O=C(CN1CCCN(CC[N+](=O)[O-])CC1)N1CCCC1 ZINC000791054791 582392386 /nfs/dbraw/zinc/39/23/86/582392386.db2.gz XVRLJDNLUKIUCO-UHFFFAOYSA-N 0 1 284.360 -0.107 20 5 CBBDMN O=C(C1CC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000817675800 582492543 /nfs/dbraw/zinc/49/25/43/582492543.db2.gz WOOPZSUUBFISJM-RKDXNWHRSA-N 0 1 253.258 -0.310 20 5 CBBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000817772429 582493708 /nfs/dbraw/zinc/49/37/08/582493708.db2.gz ZEFAGJXHXAYJSU-CBAPKCEASA-N 0 1 272.261 -0.443 20 5 CBBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819281554 582531217 /nfs/dbraw/zinc/53/12/17/582531217.db2.gz WHAGJLWIFHXFLF-PSASIEDQSA-N 0 1 284.272 -0.441 20 5 CBBDMN O=[N+]([O-])c1cnc(NCc2c[nH]nn2)c(-c2nn[nH]n2)c1 ZINC000823650775 582676541 /nfs/dbraw/zinc/67/65/41/582676541.db2.gz ANRHCQBIOCUKFE-UHFFFAOYSA-N 0 1 288.231 -0.100 20 5 CBBDMN O=C([O-])N[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000832386796 583023379 /nfs/dbraw/zinc/02/33/79/583023379.db2.gz MULTZLLTNZBDOU-WPRPVWTQSA-N 0 1 299.287 -0.506 20 5 CBBDMN O=C([O-])C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000833247720 583061606 /nfs/dbraw/zinc/06/16/06/583061606.db2.gz VIQPVGUNLCNFEL-SNVBAGLBSA-N 0 1 284.272 -0.299 20 5 CBBDMN O=C([O-])C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000833247717 583061645 /nfs/dbraw/zinc/06/16/45/583061645.db2.gz VIQPVGUNLCNFEL-JTQLQIEISA-N 0 1 284.272 -0.299 20 5 CBBDMN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839544426 583156470 /nfs/dbraw/zinc/15/64/70/583156470.db2.gz KJNJSRXSYXDJDO-FNCVBFRFSA-N 0 1 255.274 -0.236 20 5 CBBDMN CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839521150 583156489 /nfs/dbraw/zinc/15/64/89/583156489.db2.gz WGRALFDZNQYTDZ-HTQZYQBOSA-N 0 1 293.345 -0.514 20 5 CBBDMN CN(CCN1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839631925 583156788 /nfs/dbraw/zinc/15/67/88/583156788.db2.gz OHFUZPBFULVFLE-NXEZZACHSA-N 0 1 257.290 -0.558 20 5 CBBDMN O=C(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccncc1 ZINC000839619327 583156796 /nfs/dbraw/zinc/15/67/96/583156796.db2.gz UEZVZYMLGYQKLM-NXEZZACHSA-N 0 1 278.268 -0.387 20 5 CBBDMN Cn1ccnc1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839663679 583157393 /nfs/dbraw/zinc/15/73/93/583157393.db2.gz UQYDJKAHHFCISK-GHMZBOCLSA-N 0 1 293.327 -0.271 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000839700701 583158050 /nfs/dbraw/zinc/15/80/50/583158050.db2.gz GXEZWMHLJOAXAS-XFWSIPNHSA-N 0 1 267.285 -0.079 20 5 CBBDMN COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839696325 583158090 /nfs/dbraw/zinc/15/80/90/583158090.db2.gz QJBSXWDVWPWMKD-XSSZXYGBSA-N 0 1 260.221 -0.235 20 5 CBBDMN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839699397 583158222 /nfs/dbraw/zinc/15/82/22/583158222.db2.gz WTNKQQNICAVETE-FTLITQJKSA-N 0 1 253.258 -0.469 20 5 CBBDMN CCOCCOC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839724989 583158439 /nfs/dbraw/zinc/15/84/39/583158439.db2.gz PTRJBUMSIHIWOP-NXEZZACHSA-N 0 1 258.274 -0.085 20 5 CBBDMN CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714123 583158510 /nfs/dbraw/zinc/15/85/10/583158510.db2.gz BSDZVKSVPKFIKL-HRDYMLBCSA-N 0 1 257.290 -0.072 20 5 CBBDMN COC(=O)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839717202 583158574 /nfs/dbraw/zinc/15/85/74/583158574.db2.gz CBLQSRCVBNBKAG-HBNTYKKESA-N 0 1 299.327 -0.253 20 5 CBBDMN COC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839734553 583158690 /nfs/dbraw/zinc/15/86/90/583158690.db2.gz SKHHXFGGWYOEEC-AXTSPUMRSA-N 0 1 258.274 -0.086 20 5 CBBDMN C[C@H](CN1CCOCC1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839747857 583159252 /nfs/dbraw/zinc/15/92/52/583159252.db2.gz UVGXXFIPJWFNIE-GMTAPVOTSA-N 0 1 271.317 -0.169 20 5 CBBDMN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783926 583160035 /nfs/dbraw/zinc/16/00/35/583160035.db2.gz MXGZZIMDYSOPTB-BWZBUEFSSA-N 0 1 279.318 -0.904 20 5 CBBDMN CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840361328 583164322 /nfs/dbraw/zinc/16/43/22/583164322.db2.gz VUXDGUSAXGZVPM-PRJMDXOYSA-N 0 1 294.354 -0.402 20 5 CBBDMN COC[C@](C)(CC(=O)OC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840380189 583164520 /nfs/dbraw/zinc/16/45/20/583164520.db2.gz SYIKCAGSFFAJDP-XLDPMVHQSA-N 0 1 274.273 -0.264 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@@H]1CCO ZINC000840402777 583164716 /nfs/dbraw/zinc/16/47/16/583164716.db2.gz NHXPIPQNKIUKHU-DJLDLDEBSA-N 0 1 260.315 -0.022 20 5 CBBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000840425527 583164777 /nfs/dbraw/zinc/16/47/77/583164777.db2.gz AOBOFLQREYNIGG-JQCXWYLXSA-N 0 1 255.274 -0.236 20 5 CBBDMN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840427600 583164890 /nfs/dbraw/zinc/16/48/90/583164890.db2.gz GWISJGMSRKCERT-FNCVBFRFSA-N 0 1 272.257 -0.824 20 5 CBBDMN C[C@@H]1CN(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000840673556 583166681 /nfs/dbraw/zinc/16/66/81/583166681.db2.gz SGVDBUHPKYABJV-OPRDCNLKSA-N 0 1 258.274 -0.085 20 5 CBBDMN CCNC(=O)NCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842302468 583182950 /nfs/dbraw/zinc/18/29/50/583182950.db2.gz SPFMGUNFLJZIJW-HTQZYQBOSA-N 0 1 259.262 -0.096 20 5 CBBDMN O=C(O[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842329043 583183145 /nfs/dbraw/zinc/18/31/45/583183145.db2.gz RZATUXHNHDQDFG-DJLDLDEBSA-N 0 1 254.242 -0.042 20 5 CBBDMN CCOC(=O)[C@H](COC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842339678 583183573 /nfs/dbraw/zinc/18/35/73/583183573.db2.gz VZSFZKSPEURONW-PRJMDXOYSA-N 0 1 261.230 -0.227 20 5 CBBDMN O=C(CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)NCCO ZINC000843070591 583199520 /nfs/dbraw/zinc/19/95/20/583199520.db2.gz DMLZSFYTOPZWER-NSHDSACASA-N 0 1 283.284 -0.674 20 5 CBBDMN COC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnn1C ZINC000843713310 583234736 /nfs/dbraw/zinc/23/47/36/583234736.db2.gz OIUGQNGFMKKCEJ-FTLITQJKSA-N 0 1 282.256 -0.584 20 5 CBBDMN CCN(OC)C(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000844067449 583248323 /nfs/dbraw/zinc/24/83/23/583248323.db2.gz NJHDVGMOVCTALF-UHFFFAOYSA-N 0 1 271.233 -0.542 20 5 CBBDMN COC(=O)[C@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000844114811 583252216 /nfs/dbraw/zinc/25/22/16/583252216.db2.gz LGQZKGNXFFNEKK-JQCXWYLXSA-N 0 1 272.257 -0.966 20 5 CBBDMN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000844114810 583252320 /nfs/dbraw/zinc/25/23/20/583252320.db2.gz LGQZKGNXFFNEKK-FNCVBFRFSA-N 0 1 272.257 -0.966 20 5 CBBDMN C[S@](=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849375057 583478301 /nfs/dbraw/zinc/47/83/01/583478301.db2.gz MZDVJXYLRLIVDR-KRWDZBQOSA-N 0 1 293.326 -0.353 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC000854809232 583623979 /nfs/dbraw/zinc/62/39/79/583623979.db2.gz PSYDCMCGGBTDQJ-OPRDCNLKSA-N 0 1 288.325 -0.313 20 5 CBBDMN CO[C@]1(CO)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855440591 583639702 /nfs/dbraw/zinc/63/97/02/583639702.db2.gz MXGILQNJCINGHS-FXPVBKGRSA-N 0 1 258.274 -0.349 20 5 CBBDMN COC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855891990 583650219 /nfs/dbraw/zinc/65/02/19/583650219.db2.gz BXSSQBRGEVCITO-HTQZYQBOSA-N 0 1 259.262 -0.192 20 5 CBBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC000856435717 583659072 /nfs/dbraw/zinc/65/90/72/583659072.db2.gz QBCLWLDYRBAQLV-RRKCRQDMSA-N 0 1 250.276 -0.799 20 5 CBBDMN CCOC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000862956470 583828254 /nfs/dbraw/zinc/82/82/54/583828254.db2.gz XROUPDUHCMBDFY-OPRDCNLKSA-N 0 1 258.274 -0.085 20 5 CBBDMN CCOC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000862956469 583828290 /nfs/dbraw/zinc/82/82/90/583828290.db2.gz XROUPDUHCMBDFY-IVZWLZJFSA-N 0 1 258.274 -0.085 20 5 CBBDMN Nc1ncnc2c1ncn2CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862972153 583829348 /nfs/dbraw/zinc/82/93/48/583829348.db2.gz WWLRQGIOWFMGCV-RNFRBKRXSA-N 0 1 291.271 -0.810 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000863050213 583831935 /nfs/dbraw/zinc/83/19/35/583831935.db2.gz XBPRZBQKGMZSMS-UTINFBMNSA-N 0 1 288.325 -0.170 20 5 CBBDMN CON(C)C(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000863628557 583848927 /nfs/dbraw/zinc/84/89/27/583848927.db2.gz LBQFIZVLZIWSBJ-YFKPBYRVSA-N 0 1 271.233 -0.544 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)F ZINC000863809206 583858346 /nfs/dbraw/zinc/85/83/46/583858346.db2.gz VOWZJFYPQZJURC-RNFRBKRXSA-N 0 1 251.233 -0.035 20 5 CBBDMN COC[C@@]1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000863828493 583858559 /nfs/dbraw/zinc/85/85/59/583858559.db2.gz XPORFDCTPJPZOA-FXPVBKGRSA-N 0 1 258.274 -0.085 20 5 CBBDMN Nc1ccc(C(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863830857 583859057 /nfs/dbraw/zinc/85/90/57/583859057.db2.gz YDVBJFTWUQWYLT-JTQLQIEISA-N 0 1 294.311 -0.027 20 5 CBBDMN CC[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886503055 584441136 /nfs/dbraw/zinc/44/11/36/584441136.db2.gz AEFPAFUDLPUOHK-IWSPIJDZSA-N 0 1 255.274 -0.221 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCn2nncc2C1 ZINC000894245266 584654361 /nfs/dbraw/zinc/65/43/61/584654361.db2.gz SMIUXQIEPQWTOP-RKDXNWHRSA-N 0 1 251.246 -0.324 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000894430155 584657973 /nfs/dbraw/zinc/65/79/73/584657973.db2.gz RMUXZWFUYXBLAD-DTWKUNHWSA-N 0 1 267.289 -0.417 20 5 CBBDMN O=[N+]([O-])c1ccn(-c2nccnc2-c2nn[nH]n2)n1 ZINC000738370195 598349175 /nfs/dbraw/zinc/34/91/75/598349175.db2.gz RKOLPFFALSREFF-UHFFFAOYSA-N 0 1 259.189 -0.249 20 5 CBBDMN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000965373886 613784049 /nfs/dbraw/zinc/78/40/49/613784049.db2.gz CWGRTOSKIKZOBY-NXEZZACHSA-N 0 1 283.284 -0.889 20 5 CBBDMN CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000965245015 614609202 /nfs/dbraw/zinc/60/92/02/614609202.db2.gz HXMUHKIWJOHMEL-NXEZZACHSA-N 0 1 297.311 -0.499 20 5 CBBDMN CCN(C(C)=O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967721548 614810626 /nfs/dbraw/zinc/81/06/26/614810626.db2.gz NXJPVGFWUXBWTR-NXEZZACHSA-N 0 1 255.274 -0.269 20 5 CBBDMN COCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940011509 616558734 /nfs/dbraw/zinc/55/87/34/616558734.db2.gz PDOBTAIFQJZKTA-NXEZZACHSA-N 0 1 285.300 -0.641 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](C2OCCO2)C1 ZINC000927995468 658987092 /nfs/dbraw/zinc/98/70/92/658987092.db2.gz BCCVLHHLCUJJEZ-IWSPIJDZSA-N 0 1 256.258 -0.127 20 5 CBBDMN CN(CC[N@@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000701123557 656178095 /nfs/dbraw/zinc/17/80/95/656178095.db2.gz VMDLHWXSPOFAJY-UHFFFAOYSA-N 0 1 284.316 -0.071 20 5 CBBDMN CS(=O)(=O)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905062640 656336708 /nfs/dbraw/zinc/33/67/08/656336708.db2.gz YINYPVHKZJTRLR-MRVPVSSYSA-N 0 1 251.308 -0.723 20 5 CBBDMN CS(=O)(=O)N1CCCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905255868 656346881 /nfs/dbraw/zinc/34/68/81/656346881.db2.gz LBUULOZFFSZLOI-SECBINFHSA-N 0 1 265.335 -0.333 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1csnn1 ZINC000996592982 656446037 /nfs/dbraw/zinc/44/60/37/656446037.db2.gz RVDCSSGGXXTCLK-HTRCEHHLSA-N 0 1 297.296 -0.856 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccon1 ZINC001001075040 656795051 /nfs/dbraw/zinc/79/50/51/656795051.db2.gz RIFGJSXQPLBSAH-PSASIEDQSA-N 0 1 294.267 -0.472 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC001001777936 656821301 /nfs/dbraw/zinc/82/13/01/656821301.db2.gz SPGWHHYUHMUNBX-RKDXNWHRSA-N 0 1 293.283 -0.737 20 5 CBBDMN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000911805515 657134223 /nfs/dbraw/zinc/13/42/23/657134223.db2.gz AQFWTKGSNGSMMR-OFPUPOEVSA-N 0 1 255.274 -0.225 20 5 CBBDMN O=C(c1cn[nH]c1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010435983 657185381 /nfs/dbraw/zinc/18/53/81/657185381.db2.gz BZVNXSBVHGDESX-NXEZZACHSA-N 0 1 293.283 -0.641 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NC12CCN(CC1)C2 ZINC000913628305 657565683 /nfs/dbraw/zinc/56/56/83/657565683.db2.gz BLEVZUGISAOODZ-UHFFFAOYSA-N 0 1 265.273 -0.244 20 5 CBBDMN CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017440470 657759705 /nfs/dbraw/zinc/75/97/05/657759705.db2.gz IEZCUWJRICAQFY-GHMZBOCLSA-N 0 1 267.285 -0.054 20 5 CBBDMN COC(=O)CCN1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930237755 659236567 /nfs/dbraw/zinc/23/65/67/659236567.db2.gz WHLRJRZOQOOTLE-SNVBAGLBSA-N 0 1 259.306 -0.168 20 5 CBBDMN Cn1cccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990259773 659706675 /nfs/dbraw/zinc/70/66/75/659706675.db2.gz AXDNHQXIVZMXHW-MWLCHTKSSA-N 0 1 292.295 -0.369 20 5 CBBDMN Cc1cc[nH]c1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991098425 659811275 /nfs/dbraw/zinc/81/12/75/659811275.db2.gz QNFGKANVSDCCET-NXEZZACHSA-N 0 1 292.295 -0.071 20 5 CBBDMN Cc1c[nH]nc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991242100 659828306 /nfs/dbraw/zinc/82/83/06/659828306.db2.gz MCRULHJXXAECKK-RKDXNWHRSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(NC1CN(C(=O)c2cncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991276307 659829297 /nfs/dbraw/zinc/82/92/97/659829297.db2.gz BOKLXZCODLCATF-HTQZYQBOSA-N 0 1 296.308 -0.251 20 5 CBBDMN O=C(CC(F)(F)F)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991280480 659829740 /nfs/dbraw/zinc/82/97/40/659829740.db2.gz QZTZHFLWFXFLGB-RNFRBKRXSA-N 0 1 295.217 -0.069 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991287222 659830268 /nfs/dbraw/zinc/83/02/68/659830268.db2.gz QGKWZXMNWUJBST-VXNVDRBHSA-N 0 1 296.308 -0.251 20 5 CBBDMN NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000071969892 790352243 /nfs/dbraw/zinc/35/22/43/790352243.db2.gz WHOWRSXFXPCHFJ-NXEZZACHSA-N 0 1 299.308 -0.385 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1CO ZINC000828724117 790890638 /nfs/dbraw/zinc/89/06/38/790890638.db2.gz FHOMOAMISCFTQT-GFCCVEGCSA-N 0 1 296.327 -0.635 20 5 CBBDMN Cc1nonc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292549 799290669 /nfs/dbraw/zinc/29/06/69/799290669.db2.gz ODXWZPOUGBRPIK-PSASIEDQSA-N 0 1 281.272 -0.656 20 5 CBBDMN CCc1nc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001030292058 799291033 /nfs/dbraw/zinc/29/10/33/799291033.db2.gz ROCHEOKKSVABMV-RKDXNWHRSA-N 0 1 295.299 -0.402 20 5 CBBDMN Cc1nn(C)cc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292867 799292021 /nfs/dbraw/zinc/29/20/21/799292021.db2.gz ZNTDYRVCDIWBBV-VXGBXAGGSA-N 0 1 293.327 -0.306 20 5 CBBDMN Cc1ncc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001030294129 799292424 /nfs/dbraw/zinc/29/24/24/799292424.db2.gz XSJWKBQGCUUAJM-GHMZBOCLSA-N 0 1 280.284 -0.051 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCn2cncn2)C1 ZINC001042711483 801511027 /nfs/dbraw/zinc/51/10/27/801511027.db2.gz UPNPUPOAOBVPEJ-GHMZBOCLSA-N 0 1 294.315 -0.914 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nccn2C)C1 ZINC001042704986 801511986 /nfs/dbraw/zinc/51/19/86/801511986.db2.gz FQNANBZOQVYAGJ-GHMZBOCLSA-N 0 1 293.327 -0.272 20 5 CBBDMN O=C(CC1CC1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001056779013 802463666 /nfs/dbraw/zinc/46/36/66/802463666.db2.gz MOZYKPZOPYHODU-GHMZBOCLSA-N 0 1 299.327 -0.611 20 5 CBBDMN O=C(NCCn1cncn1)c1n[nH]cc1[N+](=O)[O-] ZINC001324629168 804181386 /nfs/dbraw/zinc/18/13/86/804181386.db2.gz FFUNMRHOCHPSPT-UHFFFAOYSA-N 0 1 251.206 -0.661 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCCF ZINC001325190734 804256889 /nfs/dbraw/zinc/25/68/89/804256889.db2.gz WTJDFTIKUSFFON-RXMQYKEDSA-N 0 1 273.224 -0.478 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCCF ZINC001325190746 804257383 /nfs/dbraw/zinc/25/73/83/804257383.db2.gz WTJDFTIKUSFFON-YFKPBYRVSA-N 0 1 273.224 -0.478 20 5 CBBDMN O=C(NCC1(O)CN(CC2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001325214946 804260077 /nfs/dbraw/zinc/26/00/77/804260077.db2.gz WAJXBUQHMCFZCI-NXEZZACHSA-N 0 1 269.301 -0.776 20 5 CBBDMN CC(C)=CCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001325213078 804260347 /nfs/dbraw/zinc/26/03/47/804260347.db2.gz FZSZZPZVQPKRMM-GHMZBOCLSA-N 0 1 283.328 -0.219 20 5 CBBDMN CCCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001325214948 804260975 /nfs/dbraw/zinc/26/09/75/804260975.db2.gz WCBMVPXIMCKRHQ-RKDXNWHRSA-N 0 1 257.290 -0.776 20 5 CBBDMN CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114399 805173320 /nfs/dbraw/zinc/17/33/20/805173320.db2.gz OCLKEIBCHQTHBO-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963485 805205927 /nfs/dbraw/zinc/20/59/27/805205927.db2.gz SYJMGPURHDCNSI-GHMZBOCLSA-N 0 1 298.343 -0.678 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](O)c1cnc[nH]1 ZINC001155083778 815260954 /nfs/dbraw/zinc/26/09/54/815260954.db2.gz OCQXOKADJHZSOM-MRVPVSSYSA-N 0 1 280.244 -0.485 20 5 CBBDMN O=C(Cc1nnc[nH]1)NCCNc1ncccc1[N+](=O)[O-] ZINC001093852123 810685578 /nfs/dbraw/zinc/68/55/78/810685578.db2.gz VZDZZHUFZNENOD-UHFFFAOYSA-N 0 1 291.271 -0.121 20 5 CBBDMN COc1nc(NC(=N)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001157911093 815481353 /nfs/dbraw/zinc/48/13/53/815481353.db2.gz XHQLXWBRDZPZJL-UHFFFAOYSA-N 0 1 295.303 -0.013 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CC=CC1 ZINC001116192616 812228986 /nfs/dbraw/zinc/22/89/86/812228986.db2.gz PWFBYROACIUCKC-UHFFFAOYSA-N 0 1 266.261 -0.826 20 5 CBBDMN O=C([O-])[C@]12COC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC001118505633 812562480 /nfs/dbraw/zinc/56/24/80/812562480.db2.gz FMXPKDSSFUFMQV-BXKDBHETSA-N 0 1 296.283 -0.176 20 5 CBBDMN COc1nc(NC[C@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159034973 815556302 /nfs/dbraw/zinc/55/63/02/815556302.db2.gz CCPWWNUQMUSDCG-ZETCQYMHSA-N 0 1 269.261 -0.206 20 5 CBBDMN NC(=O)NCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123235124 813224424 /nfs/dbraw/zinc/22/44/24/813224424.db2.gz HUAAEWBBTHQAJD-UHFFFAOYSA-N 0 1 295.299 -0.531 20 5 CBBDMN CCCn1ncnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932279 813695237 /nfs/dbraw/zinc/69/52/37/813695237.db2.gz PWIINGMQSVFDKK-NXEZZACHSA-N 0 1 296.331 -0.441 20 5 CBBDMN Cc1cc(CNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001126932424 813695425 /nfs/dbraw/zinc/69/54/25/813695425.db2.gz XCWVYCODWVPQIO-NXEZZACHSA-N 0 1 268.273 -0.146 20 5 CBBDMN Cc1cc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001126943418 813697104 /nfs/dbraw/zinc/69/71/04/813697104.db2.gz OJUBUIAGMSNTGZ-NXEZZACHSA-N 0 1 268.273 -0.146 20 5 CBBDMN CCn1nc(C)c(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936949 813697718 /nfs/dbraw/zinc/69/77/18/813697718.db2.gz YFNSHEMZTNUPGF-MWLCHTKSSA-N 0 1 296.331 -0.523 20 5 CBBDMN Cc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001126936604 813697941 /nfs/dbraw/zinc/69/79/41/813697941.db2.gz MQFLHBOQOWZDCM-NXEZZACHSA-N 0 1 268.273 -0.146 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCc1nc[nH]n1 ZINC001141333313 814652105 /nfs/dbraw/zinc/65/21/05/814652105.db2.gz PZJDJHHNNVCEKC-UHFFFAOYSA-N 0 1 293.287 -0.033 20 5 CBBDMN CNC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001162411130 815815838 /nfs/dbraw/zinc/81/58/38/815815838.db2.gz NSQWGGWKPAKODC-ZETCQYMHSA-N 0 1 281.272 -0.166 20 5 CBBDMN CSCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285924220 816359448 /nfs/dbraw/zinc/35/94/48/816359448.db2.gz VUJWTBAODPVQMZ-HTQZYQBOSA-N 0 1 287.341 -0.220 20 5 CBBDMN COCC(=O)NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288764988 816419970 /nfs/dbraw/zinc/41/99/70/816419970.db2.gz ZSPLVCIQFVPBNC-NXEZZACHSA-N 0 1 299.327 -0.299 20 5 CBBDMN CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001290585072 816435597 /nfs/dbraw/zinc/43/55/97/816435597.db2.gz AYHVZQDKGNZJNE-HTQZYQBOSA-N 0 1 265.273 -0.152 20 5 CBBDMN CC(C)OCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292556930 816463197 /nfs/dbraw/zinc/46/31/97/816463197.db2.gz HUUOUBWPVFAPMU-RKDXNWHRSA-N 0 1 273.289 -0.691 20 5 CBBDMN Cc1nc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001292716708 816482555 /nfs/dbraw/zinc/48/25/55/816482555.db2.gz AFHNHCPULPEDGU-RKDXNWHRSA-N 0 1 296.283 -0.197 20 5 CBBDMN COCCC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293088502 816501628 /nfs/dbraw/zinc/50/16/28/816501628.db2.gz DTJGIARIRJUSTR-RKDXNWHRSA-N 0 1 273.289 -0.689 20 5 CBBDMN O=C(Cc1ccon1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293206419 816512673 /nfs/dbraw/zinc/51/26/73/816512673.db2.gz LBUXZGPZFOJXQD-NXEZZACHSA-N 0 1 296.283 -0.495 20 5 CBBDMN COCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293769185 816526430 /nfs/dbraw/zinc/52/64/30/816526430.db2.gz IZIPJLKQJUKTIU-NXEZZACHSA-N 0 1 285.300 -0.595 20 5 CBBDMN CC(=O)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001294645404 816542191 /nfs/dbraw/zinc/54/21/91/816542191.db2.gz NRFXCIAOBFCENV-VXGBXAGGSA-N 0 1 298.343 -0.678 20 5 CBBDMN CN(C)C1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001295880879 816591239 /nfs/dbraw/zinc/59/12/39/816591239.db2.gz DLOSYHJZMDWTOJ-UHFFFAOYSA-N 0 1 265.273 -0.042 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cnc[nH]1 ZINC001296065513 816598946 /nfs/dbraw/zinc/59/89/46/816598946.db2.gz TXPRHPDLCQAYCQ-NXEZZACHSA-N 0 1 295.299 -0.808 20 5 CBBDMN CN(CCNC(=O)c1cccnn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296205830 816603140 /nfs/dbraw/zinc/60/31/40/816603140.db2.gz QSBPMGUDLGUINO-PSASIEDQSA-N 0 1 293.283 -0.670 20 5 CBBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cocn1 ZINC001298308314 816677354 /nfs/dbraw/zinc/67/73/54/816677354.db2.gz NMFWUVZLPDSRAY-PGKOWNQPSA-N 0 1 294.267 -0.258 20 5 CBBDMN CC(C)(O)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298373551 816678864 /nfs/dbraw/zinc/67/88/64/816678864.db2.gz YJGKAFNVSGCRAU-HIHHVFROSA-N 0 1 299.327 -0.399 20 5 CBBDMN CC(C)(O)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298373553 816678923 /nfs/dbraw/zinc/67/89/23/816678923.db2.gz YJGKAFNVSGCRAU-HWKXXFMVSA-N 0 1 299.327 -0.399 20 5 CBBDMN COC(=O)C[C@@H](C)N(OC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001305933834 816789415 /nfs/dbraw/zinc/78/94/15/816789415.db2.gz ZBZMCUMRDLFYSV-BWZBUEFSSA-N 0 1 260.246 -0.007 20 5 CBBDMN Cc1ncc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001317448016 816981354 /nfs/dbraw/zinc/98/13/54/816981354.db2.gz LVILWEUBCGSUDH-VXGBXAGGSA-N 0 1 293.327 -0.002 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccn1C ZINC001317448412 816984056 /nfs/dbraw/zinc/98/40/56/816984056.db2.gz SXNAUERCNFVVAY-NXEZZACHSA-N 0 1 281.316 -0.367 20 5 CBBDMN CC(C)OCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001318020539 817065248 /nfs/dbraw/zinc/06/52/48/817065248.db2.gz SYECVTSCJKIOJL-GHMZBOCLSA-N 0 1 271.317 -0.123 20 5 CBBDMN Cc1cc(C[C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC001319264779 817183543 /nfs/dbraw/zinc/18/35/43/817183543.db2.gz IQULEGGIYVBZTA-SSDOTTSWSA-N 0 1 293.287 -0.035 20 5 CBBDMN CCS(=O)(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319701139 817234807 /nfs/dbraw/zinc/23/48/07/817234807.db2.gz KRELBESCIAMIBH-UHFFFAOYSA-N 0 1 276.274 -0.518 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001319723971 817236838 /nfs/dbraw/zinc/23/68/38/817236838.db2.gz QMFVZCPGBMTMDQ-UHFFFAOYSA-N 0 1 279.260 -0.273 20 5 CBBDMN O=C(NC[C@H]1COCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001319837615 817247102 /nfs/dbraw/zinc/24/71/02/817247102.db2.gz ZQUMSSDDIKKSLS-LURJTMIESA-N 0 1 256.218 -0.537 20 5 CBBDMN COC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001321271282 817471705 /nfs/dbraw/zinc/47/17/05/817471705.db2.gz RZSSDAJSMCAZDI-UHFFFAOYSA-N 0 1 283.244 -0.193 20 5 CBBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCNC(=O)C23CNC3)n1 ZINC001165297504 819951713 /nfs/dbraw/zinc/95/17/13/819951713.db2.gz FMWWCKRWYMQOKQ-UHFFFAOYSA-N 0 1 291.311 -0.115 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1ccc([N+](=O)[O-])c(OC)n1 ZINC001165437056 819961313 /nfs/dbraw/zinc/96/13/13/819961313.db2.gz OTSOYGKWIWSVLI-SECBINFHSA-N 0 1 296.283 -0.050 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001165438151 819962992 /nfs/dbraw/zinc/96/29/92/819962992.db2.gz FMGNXNQPGDMHAT-SECBINFHSA-N 0 1 281.272 -0.477 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001165439621 819963641 /nfs/dbraw/zinc/96/36/41/819963641.db2.gz SBURSHCYSLEGMT-SNVBAGLBSA-N 0 1 296.283 -0.512 20 5 CBBDMN Cc1ncc([N+](=O)[O-])c(N(C2CNC2)S(C)(=O)=O)n1 ZINC001166967423 820055649 /nfs/dbraw/zinc/05/56/49/820055649.db2.gz FPPHSUYZVWZHFL-UHFFFAOYSA-N 0 1 287.301 -0.569 20 5 CBBDMN COc1ncc([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)n1 ZINC001168735492 820169391 /nfs/dbraw/zinc/16/93/91/820169391.db2.gz RHRIJLDCXDOPNM-UHFFFAOYSA-N 0 1 295.303 -0.013 20 5 CBBDMN NCc1nnnn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001168918850 820191336 /nfs/dbraw/zinc/19/13/36/820191336.db2.gz NUZRWNLWEWPRAU-UHFFFAOYSA-N 0 1 261.205 -0.700 20 5 CBBDMN COc1nc(C)nc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001168918680 820191389 /nfs/dbraw/zinc/19/13/89/820191389.db2.gz JXHOPFXASUWDJG-UHFFFAOYSA-N 0 1 266.221 -0.864 20 5 CBBDMN COC(=O)Cc1ccc(-n2nnnc2CN)cc1[N+](=O)[O-] ZINC001168923556 820193351 /nfs/dbraw/zinc/19/33/51/820193351.db2.gz AEBPBDYTNCNAKR-UHFFFAOYSA-N 0 1 292.255 -0.255 20 5 CBBDMN COc1ncc([N+](=O)[O-])c(NC[C@H]2COCCN2)n1 ZINC001170035679 820273410 /nfs/dbraw/zinc/27/34/10/820273410.db2.gz OKBPYMBSUFMLSK-ZETCQYMHSA-N 0 1 269.261 -0.206 20 5 CBBDMN COc1ncc([N+](=O)[O-])c(NC[C@@H]2COCCN2)n1 ZINC001170035678 820274500 /nfs/dbraw/zinc/27/45/00/820274500.db2.gz OKBPYMBSUFMLSK-SSDOTTSWSA-N 0 1 269.261 -0.206 20 5 CBBDMN C[C@@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001170952455 820340559 /nfs/dbraw/zinc/34/05/59/820340559.db2.gz MROVVHXTSLOOBF-DOZNWIKDSA-N 0 1 281.268 -0.837 20 5 CBBDMN C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001170952456 820340923 /nfs/dbraw/zinc/34/09/23/820340923.db2.gz MROVVHXTSLOOBF-ONAGUOBHSA-N 0 1 281.268 -0.837 20 5 CBBDMN Cn1cc(C(=O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC001179584642 820634728 /nfs/dbraw/zinc/63/47/28/820634728.db2.gz ZVGILSFBCVPXON-UHFFFAOYSA-N 0 1 278.228 -0.336 20 5 CBBDMN Nc1c[nH]nc1[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001180772603 820726953 /nfs/dbraw/zinc/72/69/53/820726953.db2.gz ATFHAXAEWYQXBX-LKEWCRSYSA-N 0 1 265.273 -0.027 20 5 CBBDMN Nc1cn[nH]c1[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001180772603 820726959 /nfs/dbraw/zinc/72/69/59/820726959.db2.gz ATFHAXAEWYQXBX-LKEWCRSYSA-N 0 1 265.273 -0.027 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC001181243935 820768121 /nfs/dbraw/zinc/76/81/21/820768121.db2.gz ZCPHRTHUHWTCJA-DTWKUNHWSA-N 0 1 298.299 -0.311 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)c1[N+](=O)[O-] ZINC001181243939 820769020 /nfs/dbraw/zinc/76/90/20/820769020.db2.gz ZCPHRTHUHWTCJA-RKDXNWHRSA-N 0 1 298.299 -0.311 20 5 CBBDMN CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280755585 828375308 /nfs/dbraw/zinc/37/53/08/828375308.db2.gz CFJRFYFAKQBLRA-GWOFURMSSA-N 0 1 299.327 -0.301 20 5 CBBDMN CCOCCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284899639 828631539 /nfs/dbraw/zinc/63/15/39/828631539.db2.gz CMJVBQARCGHPQD-NXEZZACHSA-N 0 1 285.300 -0.595 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC001213324282 824509384 /nfs/dbraw/zinc/50/93/84/824509384.db2.gz GZTFQYMPRARVEI-SVRRBLITSA-N 0 1 289.269 -0.972 20 5 CBBDMN CN1CC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646666 825231634 /nfs/dbraw/zinc/23/16/34/825231634.db2.gz LNEZOELVRJLCCE-SECBINFHSA-N 0 1 282.304 -0.205 20 5 CBBDMN CN1CC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646673 825231678 /nfs/dbraw/zinc/23/16/78/825231678.db2.gz LNEZOELVRJLCCE-VIFPVBQESA-N 0 1 282.304 -0.205 20 5 CBBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225765996 825263145 /nfs/dbraw/zinc/26/31/45/825263145.db2.gz PPMUKAHUPIAHSH-SSDOTTSWSA-O 0 1 288.349 -0.167 20 5 CBBDMN NC(=O)[C@@H](CO)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579570 825967377 /nfs/dbraw/zinc/96/73/77/825967377.db2.gz SXUXPYNWMQAHTO-MWLCHTKSSA-N 0 1 265.269 -0.502 20 5 CBBDMN C[C@H]1OCC[C@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001256261706 826006752 /nfs/dbraw/zinc/00/67/52/826006752.db2.gz CFTHOWRNKQYGMH-LDWIPMOCSA-N 0 1 270.245 -0.412 20 5 CBBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC001261246003 826500570 /nfs/dbraw/zinc/50/05/70/826500570.db2.gz XPMVHTBAQYLOEI-RFZPGFLSSA-N 0 1 254.202 -0.248 20 5 CBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1[N+](=O)[O-] ZINC001265980439 826944173 /nfs/dbraw/zinc/94/41/73/826944173.db2.gz KFSFKOXLGXHZOH-HTQZYQBOSA-N 0 1 269.217 -0.427 20 5 CBBDMN NC(=O)[C@@]1(NCCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC001329020065 885888212 /nfs/dbraw/zinc/88/82/12/885888212.db2.gz YIVXYOMNBRMDHG-SNVBAGLBSA-N 0 1 269.261 -0.975 20 5 CBBDMN Cn1nnc2c1CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC001326780551 885141386 /nfs/dbraw/zinc/14/13/86/885141386.db2.gz JGYIFQYQWWCMBP-LURJTMIESA-N 0 1 291.271 -0.266 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] ZINC001326995727 885218065 /nfs/dbraw/zinc/21/80/65/885218065.db2.gz FQGTXRHCDCLGTM-SFYZADRCSA-N 0 1 284.272 -0.558 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] ZINC001326995728 885219878 /nfs/dbraw/zinc/21/98/78/885219878.db2.gz FQGTXRHCDCLGTM-YUMQZZPRSA-N 0 1 284.272 -0.558 20 5 CBBDMN NC(=O)[C@]1(NCCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC001329020064 885887671 /nfs/dbraw/zinc/88/76/71/885887671.db2.gz YIVXYOMNBRMDHG-JTQLQIEISA-N 0 1 269.261 -0.975 20 5 CBBDMN C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C(=O)[O-])O1 ZINC001330169231 886379931 /nfs/dbraw/zinc/37/99/31/886379931.db2.gz WBTYPPJKZOBZAE-BDAKNGLRSA-N 0 1 284.272 -0.035 20 5 CBBDMN C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C(=O)[O-])O1 ZINC001330169231 886379939 /nfs/dbraw/zinc/37/99/39/886379939.db2.gz WBTYPPJKZOBZAE-BDAKNGLRSA-N 0 1 284.272 -0.035 20 5 CBBDMN O=C(NCCN1CC[C@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001331883311 887029762 /nfs/dbraw/zinc/02/97/62/887029762.db2.gz QGQSKEFDNXSILS-ZETCQYMHSA-N 0 1 269.261 -0.886 20 5 CBBDMN C[C@H](C[S@@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001337707052 889068050 /nfs/dbraw/zinc/06/80/50/889068050.db2.gz HEJFSZQOGJPTME-WXQGDBPDSA-N 0 1 260.275 -0.185 20 5 CBBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])S(C)(=O)=O ZINC001341387529 889587568 /nfs/dbraw/zinc/58/75/68/889587568.db2.gz DDVBLPSPANMALB-UHFFFAOYSA-N 0 1 290.301 -0.129 20 5 CBBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2CCOC)CC1 ZINC001341518327 889615421 /nfs/dbraw/zinc/61/54/21/889615421.db2.gz WOILSFRYGRDPHL-UHFFFAOYSA-N 0 1 298.347 -0.157 20 5 CBBDMN O=C(N[C@@H]1COCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001348409677 890618701 /nfs/dbraw/zinc/61/87/01/890618701.db2.gz HAVIYYRLPRAOFA-RXMQYKEDSA-N 0 1 254.202 -0.594 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cscn1 ZINC001348625091 890665648 /nfs/dbraw/zinc/66/56/48/890665648.db2.gz BGTSBJQZFWDXHG-HTRCEHHLSA-N 0 1 284.297 -0.346 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cocn1 ZINC001348636762 890673136 /nfs/dbraw/zinc/67/31/36/890673136.db2.gz RQBWCXMIZADNTM-HTRCEHHLSA-N 0 1 268.229 -0.814 20 5 CBBDMN O=c1[nH]ccc(N2CC(N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC001350491093 890994976 /nfs/dbraw/zinc/99/49/76/890994976.db2.gz WZKUBDSOUBPQRB-SECBINFHSA-N 0 1 280.284 -0.049 20 5 CBBDMN CN(CCNC(=O)c1ccc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355471650 891682016 /nfs/dbraw/zinc/68/20/16/891682016.db2.gz JQDLTZVAYBKHOZ-PSASIEDQSA-N 0 1 280.284 -0.132 20 5 CBBDMN CCOCC(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356051931 891723317 /nfs/dbraw/zinc/72/33/17/891723317.db2.gz ZWEUTUVOJAAKMJ-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN COC(=O)C1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOCC1 ZINC001449599346 913598690 /nfs/dbraw/zinc/59/86/90/913598690.db2.gz KHPXREVDGJWNIA-UHFFFAOYSA-N 0 1 298.255 -0.230 20 5 CBBDMN COCCCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001358729338 892052568 /nfs/dbraw/zinc/05/25/68/892052568.db2.gz SLWDRPHJZDAJOR-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2C[C@H](CO)[C@H](O)C2)c1 ZINC001460220869 914772587 /nfs/dbraw/zinc/77/25/87/914772587.db2.gz MMWZMIXUJVITPL-PSASIEDQSA-N 0 1 256.262 -0.924 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1N=NC(=O)N1C ZINC001469595646 915416125 /nfs/dbraw/zinc/41/61/25/915416125.db2.gz ZWSOXCOQRBHSQB-KVQBGUIXSA-N 0 1 255.234 -0.637 20 5 CBBDMN CC(C)(CCC(=O)N1CCOC[C@H]1c1nn[nH]n1)[N+](=O)[O-] ZINC001470933774 915539064 /nfs/dbraw/zinc/53/90/64/915539064.db2.gz GPOOKIKSFHWULP-QMMMGPOBSA-N 0 1 298.303 -0.065 20 5 CBBDMN COC(=O)[C@@H](O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001472433947 915735030 /nfs/dbraw/zinc/73/50/30/915735030.db2.gz GFAJIOWWIAANKM-JTQLQIEISA-N 0 1 298.251 -0.046 20 5 CBBDMN Cn1cc(CN2C[C@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])n1 ZINC001473894409 915877280 /nfs/dbraw/zinc/87/72/80/915877280.db2.gz XGDFYTVPEQTUAO-MWLCHTKSSA-N 0 1 284.316 -0.249 20 5 CBBDMN Cc1cnc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001480863134 916588040 /nfs/dbraw/zinc/58/80/40/916588040.db2.gz OOZCWJLUHWBUMT-GHMZBOCLSA-N 0 1 293.327 -0.002 20 5 CBBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnc(C)[nH]1 ZINC001480974649 916668824 /nfs/dbraw/zinc/66/88/24/916668824.db2.gz RENJNVOUJWHNOI-NXEZZACHSA-N 0 1 296.331 -0.284 20 5 CBBDMN Cn1ncc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001483007028 917371704 /nfs/dbraw/zinc/37/17/04/917371704.db2.gz DCKFQLYOMUAXBE-WUNPDAOYSA-N 0 1 294.315 -0.758 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc[nH]1 ZINC001491107428 919036076 /nfs/dbraw/zinc/03/60/76/919036076.db2.gz RWRWWFUMSXZGNV-VXNVDRBHSA-N 0 1 266.257 -0.474 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccn[nH]1 ZINC001491602748 919223055 /nfs/dbraw/zinc/22/30/55/919223055.db2.gz NFBWSYKEULSLNR-VXNVDRBHSA-N 0 1 281.272 -0.689 20 5 CBBDMN COCC(=O)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001493033408 919471052 /nfs/dbraw/zinc/47/10/52/919471052.db2.gz SXXNQOSGKPOXCX-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnns1 ZINC001496012579 920007208 /nfs/dbraw/zinc/00/72/08/920007208.db2.gz KDFWKUVMVANGCQ-RNFRBKRXSA-N 0 1 299.312 -0.609 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccncn1 ZINC001496013754 920007395 /nfs/dbraw/zinc/00/73/95/920007395.db2.gz UAXMXHUVMMQZID-PSASIEDQSA-N 0 1 293.283 -0.670 20 5 CBBDMN CCOCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501001213 920936608 /nfs/dbraw/zinc/93/66/08/920936608.db2.gz SEQBQRKJDRYTDM-NXEZZACHSA-N 0 1 287.316 -0.395 20 5 CBBDMN CCC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001509125635 921968149 /nfs/dbraw/zinc/96/81/49/921968149.db2.gz XLTVTARQQKEHSR-RKDXNWHRSA-N 0 1 285.300 -0.859 20 5 CBBDMN Cc1nc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001522626443 922492760 /nfs/dbraw/zinc/49/27/60/922492760.db2.gz IHHARCPURJNBAG-VXNVDRBHSA-N 0 1 298.324 -0.037 20 5 CBBDMN Cc1nc[nH]c1CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522626906 922493922 /nfs/dbraw/zinc/49/39/22/922493922.db2.gz KXNHPEXIAFUHFM-PSASIEDQSA-N 0 1 295.299 -0.842 20 5 CBBDMN NC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC001523059325 922564832 /nfs/dbraw/zinc/56/48/32/922564832.db2.gz DMDLDYCGKKNECJ-FTLITQJKSA-N 0 1 264.241 -0.611 20 5 CBBDMN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC001532480874 923029677 /nfs/dbraw/zinc/02/96/77/923029677.db2.gz KCOZWFQNGWVPBA-UHFFFAOYSA-N 0 1 266.221 -0.643 20 5 CBBDMN C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001542625782 923274802 /nfs/dbraw/zinc/27/48/02/923274802.db2.gz ABNHLXGLFWDGNM-IWSPIJDZSA-N 0 1 255.274 -0.221 20 5 CBBDMN COCC[N@@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001547268582 923342676 /nfs/dbraw/zinc/34/26/76/923342676.db2.gz FBFZGLCWDKDRQI-UHFFFAOYSA-N 0 1 297.315 -0.120 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001557576270 924122262 /nfs/dbraw/zinc/12/22/62/924122262.db2.gz AVCUOINVEHENRM-HQJQHLMTSA-N 0 1 284.272 -0.416 20 5 CBBDMN CCc1n[nH]c(C(=O)N2CC(NC3COC3)C2)c1[N+](=O)[O-] ZINC001558610939 924187755 /nfs/dbraw/zinc/18/77/55/924187755.db2.gz CYTFVAFDCLOTFL-UHFFFAOYSA-N 0 1 295.299 -0.307 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000351580385 219134289 /nfs/dbraw/zinc/13/42/89/219134289.db2.gz LSXODKDWCUKWIF-UHFFFAOYSA-N 0 1 291.271 -0.029 20 5 CBBDMN CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000377597981 530013240 /nfs/dbraw/zinc/01/32/40/530013240.db2.gz BFQNZCDYHWYESY-BDAKNGLRSA-N 0 1 291.329 -0.808 20 5 CBBDMN O=C(NCc1nnc2n1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000048792372 351479232 /nfs/dbraw/zinc/47/92/32/351479232.db2.gz LCPNUHRJHOMHBP-SFYZADRCSA-N 0 1 265.273 -0.104 20 5 CBBDMN NC(=O)C1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000052745047 351521505 /nfs/dbraw/zinc/52/15/05/351521505.db2.gz XBFGRYQVETVKHK-JGVFFNPUSA-N 0 1 271.273 -0.950 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](O)C1 ZINC000090526207 351740656 /nfs/dbraw/zinc/74/06/56/351740656.db2.gz MFSIIPOHSDZWMB-JTQLQIEISA-N 0 1 253.258 -0.177 20 5 CBBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nn[nH]n1 ZINC000134752654 351908491 /nfs/dbraw/zinc/90/84/91/351908491.db2.gz XFTSNQDDSSWNNT-UHFFFAOYSA-N 0 1 262.229 -0.033 20 5 CBBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCOCC1 ZINC000159860408 351966727 /nfs/dbraw/zinc/96/67/27/351966727.db2.gz DPYIWSBGTOCRFF-QMMMGPOBSA-N 0 1 283.288 -0.232 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000160621838 351971774 /nfs/dbraw/zinc/97/17/74/351971774.db2.gz ZLZBDONREFTLQX-CBAPKCEASA-N 0 1 283.288 -0.233 20 5 CBBDMN CC(C)NC(=O)CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708168 352049161 /nfs/dbraw/zinc/04/91/61/352049161.db2.gz PNXFGDJRFXOHRA-NSHDSACASA-N 0 1 299.331 -0.391 20 5 CBBDMN CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193130706 352203159 /nfs/dbraw/zinc/20/31/59/352203159.db2.gz YTYDFEGRQJGKLB-UHFFFAOYSA-N 0 1 267.289 -0.045 20 5 CBBDMN Cn1c(C(=O)NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000236080319 352288249 /nfs/dbraw/zinc/28/82/49/352288249.db2.gz CGQPICITYHTLDE-QMMMGPOBSA-N 0 1 268.273 -0.349 20 5 CBBDMN Cn1c(C(=O)NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000236080186 352288655 /nfs/dbraw/zinc/28/86/55/352288655.db2.gz CGQPICITYHTLDE-MRVPVSSYSA-N 0 1 268.273 -0.349 20 5 CBBDMN C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000248935424 352358432 /nfs/dbraw/zinc/35/84/32/352358432.db2.gz NDNZQPUZEQHOCY-NXEZZACHSA-N 0 1 272.305 -0.145 20 5 CBBDMN C[C@@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)CO ZINC000248957758 352358782 /nfs/dbraw/zinc/35/87/82/352358782.db2.gz QMSURNZKPXZMGW-NXEZZACHSA-N 0 1 272.305 -0.145 20 5 CBBDMN COC(=O)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000274729572 352544195 /nfs/dbraw/zinc/54/41/95/352544195.db2.gz CLIRSRPYLUEOIM-QUBYGPBYSA-N 0 1 298.251 -0.047 20 5 CBBDMN CC(C)(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000154766290 188161018 /nfs/dbraw/zinc/16/10/18/188161018.db2.gz OHEBTZMIJZRMLF-SSDOTTSWSA-N 0 1 269.261 -0.052 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)Cc2nnnn2C)c1[N+](=O)[O-] ZINC000343794631 353291676 /nfs/dbraw/zinc/29/16/76/353291676.db2.gz JMDFPHGSEXOZRU-UHFFFAOYSA-N 0 1 294.275 -0.324 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000345790298 353348766 /nfs/dbraw/zinc/34/87/66/353348766.db2.gz YKJBDBJQYSYHBB-LURJTMIESA-N 0 1 281.272 -0.172 20 5 CBBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NC1(c2nn[nH]n2)CC1 ZINC000348294958 353418812 /nfs/dbraw/zinc/41/88/12/353418812.db2.gz UPLAGBJJZUPIOP-UHFFFAOYSA-N 0 1 292.259 -0.500 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1COC[C@H]1O ZINC000352801307 353506269 /nfs/dbraw/zinc/50/62/69/353506269.db2.gz JVAKOYWVQAIGFC-WDEREUQCSA-N 0 1 283.284 -0.552 20 5 CBBDMN C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1)c1nn[nH]n1 ZINC000354790727 353583464 /nfs/dbraw/zinc/58/34/64/353583464.db2.gz NUSSICPGIZSAGI-RXMQYKEDSA-N 0 1 280.248 -0.293 20 5 CBBDMN C[C@@H](CN(C)C(=O)Cn1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000358413581 353643019 /nfs/dbraw/zinc/64/30/19/353643019.db2.gz NTMGVEAPJYEFQF-ZETCQYMHSA-N 0 1 294.275 -0.434 20 5 CBBDMN C[C@]1(C(N)=O)CCCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363819216 353670714 /nfs/dbraw/zinc/67/07/14/353670714.db2.gz HIOALMDWICUKKP-VAOFZXAKSA-N 0 1 255.274 -0.092 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)n1 ZINC000370926602 353693717 /nfs/dbraw/zinc/69/37/17/353693717.db2.gz CADZONDTHFHQRM-GUBZILKMSA-N 0 1 279.300 -0.220 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cn1cncn1 ZINC000370979319 353693849 /nfs/dbraw/zinc/69/38/49/353693849.db2.gz NHCDKTHUVZQZAE-AEJSXWLSSA-N 0 1 265.273 -0.066 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](n2cncn2)C1 ZINC000372472601 353717265 /nfs/dbraw/zinc/71/72/65/353717265.db2.gz IWHRJDHXCHFUEM-DJLDLDEBSA-N 0 1 251.246 -0.283 20 5 CBBDMN CN1C[C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000373290838 353729341 /nfs/dbraw/zinc/72/93/41/353729341.db2.gz JFCNIZQLINWNSG-VGMNWLOBSA-N 0 1 268.273 -0.770 20 5 CBBDMN COC(=O)[C@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374957101 353751017 /nfs/dbraw/zinc/75/10/17/353751017.db2.gz VFTVZHKTMUBYED-RYPBNFRJSA-N 0 1 272.257 -0.560 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1 ZINC000374960997 353751223 /nfs/dbraw/zinc/75/12/23/353751223.db2.gz DWMKKGZNQAJDGC-AEJSXWLSSA-N 0 1 255.274 -0.805 20 5 CBBDMN CO[C@@H]1COC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000518379219 260392552 /nfs/dbraw/zinc/39/25/52/260392552.db2.gz HNJFRHBEOUMOHJ-IYSWYEEDSA-N 0 1 256.218 -0.539 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]2(CNC(=O)O2)C1 ZINC000375542008 353762722 /nfs/dbraw/zinc/76/27/22/353762722.db2.gz RWZJREHODKCRLU-FYBVGQRMSA-N 0 1 269.257 -0.247 20 5 CBBDMN CCNC(=O)C1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000489639686 354434834 /nfs/dbraw/zinc/43/48/34/354434834.db2.gz GINIUZUMFRHZPW-UHFFFAOYSA-N 0 1 281.272 -0.166 20 5 CBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnn[nH]1 ZINC000492890415 354483756 /nfs/dbraw/zinc/48/37/56/354483756.db2.gz LVGGLGKNTJTYFA-UHFFFAOYSA-N 0 1 251.206 -0.661 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC000545988162 354650497 /nfs/dbraw/zinc/65/04/97/354650497.db2.gz KHROUQXRYMUPRE-VXNVDRBHSA-N 0 1 298.299 -0.304 20 5 CBBDMN CO[C@H]1C[C@H](C(=O)[O-])[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000568067126 354809332 /nfs/dbraw/zinc/80/93/32/354809332.db2.gz MXEDICLMCNDOBQ-DTWKUNHWSA-N 0 1 284.272 -0.035 20 5 CBBDMN CN1CC[NH2+]C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000579709873 354978011 /nfs/dbraw/zinc/97/80/11/354978011.db2.gz MCTUMOLXQQDTKM-VIFPVBQESA-N 0 1 295.299 -0.671 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191611 354990079 /nfs/dbraw/zinc/99/00/79/354990079.db2.gz QCRCCEUNBDZOIE-NKWVEPMBSA-N 0 1 291.333 -0.175 20 5 CBBDMN [NH3+]CC(F)(F)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583630174 355021446 /nfs/dbraw/zinc/02/14/46/355021446.db2.gz MHHCADNNTZIUNU-UHFFFAOYSA-N 0 1 296.255 -0.138 20 5 CBBDMN C[NH+](C)C[C@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590369825 355076363 /nfs/dbraw/zinc/07/63/63/355076363.db2.gz OMYGQKNMYHAQPE-MRVPVSSYSA-N 0 1 284.272 -0.652 20 5 CBBDMN O=C(N[C@@H](CO)CN1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000590371620 355076447 /nfs/dbraw/zinc/07/64/47/355076447.db2.gz PANIQSLVQVPHBE-MRVPVSSYSA-N 0 1 283.288 -0.496 20 5 CBBDMN O=C(Nc1n[nH]c2ncnn12)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000590378735 355076970 /nfs/dbraw/zinc/07/69/70/355076970.db2.gz DUDGMTMSKIOCBW-UHFFFAOYSA-N 0 1 290.199 -0.287 20 5 CBBDMN O=C(CNC(CO)CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594002594 355233830 /nfs/dbraw/zinc/23/38/30/355233830.db2.gz RMHGTULFQYBAQD-UHFFFAOYSA-N 0 1 295.295 -0.573 20 5 CBBDMN CN(C)C(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743506 355259910 /nfs/dbraw/zinc/25/99/10/355259910.db2.gz FTQUKVKXDCSXKW-UHFFFAOYSA-N 0 1 288.285 -0.644 20 5 CBBDMN C[C@@H](CC(N)=O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756582 355260116 /nfs/dbraw/zinc/26/01/16/355260116.db2.gz BHOSAMUCDKPYET-LURJTMIESA-N 0 1 288.285 -0.468 20 5 CBBDMN CNC(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756232 355260520 /nfs/dbraw/zinc/26/05/20/355260520.db2.gz VHCIBWGPKSKCCB-UHFFFAOYSA-N 0 1 288.285 -0.596 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H](C)C[NH2+]C)c([N+](=O)[O-])n1 ZINC000595119072 355272418 /nfs/dbraw/zinc/27/24/18/355272418.db2.gz LGAGCLMPDGRAQG-SSDOTTSWSA-N 0 1 291.333 -0.303 20 5 CBBDMN O=C(NCCc1ccccc1[N+](=O)[O-])C1(O)CNC1 ZINC000595940207 355322510 /nfs/dbraw/zinc/32/25/10/355322510.db2.gz OTSQFISSZSVXAP-UHFFFAOYSA-N 0 1 265.269 -0.412 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(O)(CO)C2)c1[N+](=O)[O-] ZINC000597704854 355410990 /nfs/dbraw/zinc/41/09/90/355410990.db2.gz GWJNANDCKCGRKR-UHFFFAOYSA-N 0 1 270.245 -0.941 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCOC2)n1 ZINC000599233353 355473171 /nfs/dbraw/zinc/47/31/71/355473171.db2.gz SNMBTXSWYQMXKB-SSDOTTSWSA-N 0 1 290.301 -0.214 20 5 CBBDMN C[C@@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599239131 355473990 /nfs/dbraw/zinc/47/39/90/355473990.db2.gz OAFIPSZSZCRRKJ-ZCFIWIBFSA-N 0 1 278.290 -0.623 20 5 CBBDMN CC[C@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599261603 355474672 /nfs/dbraw/zinc/47/46/72/355474672.db2.gz UBMIXAGXCGREQU-ZETCQYMHSA-N 0 1 292.317 -0.232 20 5 CBBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 ZINC000599339028 355480648 /nfs/dbraw/zinc/48/06/48/355480648.db2.gz DTZRIILLUSFETR-NKWVEPMBSA-N 0 1 290.301 -0.216 20 5 CBBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000600532063 355556505 /nfs/dbraw/zinc/55/65/05/355556505.db2.gz GGVPKMNOAHUORJ-SNVBAGLBSA-N 0 1 280.284 -0.214 20 5 CBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1COCCN1 ZINC000599922036 355518064 /nfs/dbraw/zinc/51/80/64/355518064.db2.gz XPUWMVJJHRJKJP-VIFPVBQESA-N 0 1 298.303 -0.921 20 5 CBBDMN CNC(=O)[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602699814 355667543 /nfs/dbraw/zinc/66/75/43/355667543.db2.gz RQTXEGVWRFDJRC-QMMMGPOBSA-N 0 1 267.289 -0.104 20 5 CBBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1nn[nH]n1 ZINC000609496260 355770369 /nfs/dbraw/zinc/77/03/69/355770369.db2.gz CPYPYXVSSRHIAU-UHFFFAOYSA-N 0 1 264.205 -0.786 20 5 CBBDMN Cc1nn(CCC(=O)NCc2nn[nH]n2)c(C)c1[N+](=O)[O-] ZINC000609532667 355770462 /nfs/dbraw/zinc/77/04/62/355770462.db2.gz NXHGMXYMGDFBCT-UHFFFAOYSA-N 0 1 294.275 -0.372 20 5 CBBDMN CC(C)c1n[nH]c(C(=O)NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000610923049 355789971 /nfs/dbraw/zinc/78/99/71/355789971.db2.gz NCBWUEUJGVXGAU-UHFFFAOYSA-N 0 1 280.248 -0.116 20 5 CBBDMN O=C(NCc1c[nH]nn1)Nc1ccncc1[N+](=O)[O-] ZINC000611599907 355806405 /nfs/dbraw/zinc/80/64/05/355806405.db2.gz INTGPVFLRPBONR-UHFFFAOYSA-N 0 1 263.217 -0.149 20 5 CBBDMN COC(=O)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000274729570 192745555 /nfs/dbraw/zinc/74/55/55/192745555.db2.gz CLIRSRPYLUEOIM-LHLIQPBNSA-N 0 1 298.251 -0.047 20 5 CBBDMN CNC(=O)N[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342354983 216322028 /nfs/dbraw/zinc/32/20/28/216322028.db2.gz NTUMPANOTADAQS-VIFPVBQESA-N 0 1 282.304 -0.205 20 5 CBBDMN CC(CO)(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183514328 189360851 /nfs/dbraw/zinc/36/08/51/189360851.db2.gz AIQCLHFCBQJPQZ-UHFFFAOYSA-N 0 1 294.267 -0.056 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C[C@@H](C)O)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000275963795 193174475 /nfs/dbraw/zinc/17/44/75/193174475.db2.gz HTCZLEXGIKBJGR-NKWVEPMBSA-N 0 1 286.288 -0.170 20 5 CBBDMN CO[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000330883434 203351587 /nfs/dbraw/zinc/35/15/87/203351587.db2.gz BIGYUDZHNOZZES-SNVBAGLBSA-N 0 1 270.245 -0.147 20 5 CBBDMN CN1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000344057705 217030379 /nfs/dbraw/zinc/03/03/79/217030379.db2.gz LMZHDZOVMWHXDL-LURJTMIESA-N 0 1 267.245 -0.332 20 5 CBBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@H]1O ZINC000286100935 372958268 /nfs/dbraw/zinc/95/82/68/372958268.db2.gz UAQZAFHYQQSVJK-RKDXNWHRSA-N 0 1 256.262 -0.517 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@](C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000358351539 373170978 /nfs/dbraw/zinc/17/09/78/373170978.db2.gz GBSLIGMLRDWSPA-LLVKDONJSA-N 0 1 281.272 -0.036 20 5 CBBDMN CS(=O)(=O)N1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363618563 373501803 /nfs/dbraw/zinc/50/18/03/373501803.db2.gz OWZCZNYZZGMKMP-DTWKUNHWSA-N 0 1 291.329 -0.855 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@](=O)C1 ZINC000365329001 373522745 /nfs/dbraw/zinc/52/27/45/373522745.db2.gz GYTMWSDSPKHKGT-RGAZQWRRSA-N 0 1 260.315 -0.121 20 5 CBBDMN COC(=O)C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCO1 ZINC000363332452 373486717 /nfs/dbraw/zinc/48/67/17/373486717.db2.gz YCWLEPIALSQAEF-HRDYMLBCSA-N 0 1 272.257 -0.558 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](CO)[C@H](O)C1 ZINC000561784858 374303381 /nfs/dbraw/zinc/30/33/81/374303381.db2.gz NAQOLDHVJGWQRK-ZYHUDNBSSA-N 0 1 297.311 -0.568 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000554744086 374282956 /nfs/dbraw/zinc/28/29/56/374282956.db2.gz WBDPDCHIKUVTOO-ONGXEEELSA-N 0 1 270.289 -0.534 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000579714778 374354470 /nfs/dbraw/zinc/35/44/70/374354470.db2.gz VUXLCPBWDDVANW-AOOOYVTPSA-N 0 1 294.311 -0.035 20 5 CBBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CC(=O)NC1=O ZINC000264142756 190092759 /nfs/dbraw/zinc/09/27/59/190092759.db2.gz FUUKTYDPCBRJDX-LURJTMIESA-N 0 1 295.255 -0.496 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000264225564 190097654 /nfs/dbraw/zinc/09/76/54/190097654.db2.gz ZCYONMHQEYUEGW-UHFFFAOYSA-N 0 1 267.245 -0.548 20 5 CBBDMN CC[C@H]1C(=O)NCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264473558 190112301 /nfs/dbraw/zinc/11/23/01/190112301.db2.gz UYBSNYIAVMHXJZ-ZETCQYMHSA-N 0 1 281.272 -0.023 20 5 CBBDMN CNC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356230874 248220607 /nfs/dbraw/zinc/22/06/07/248220607.db2.gz WPAPMEIMCPMSDK-UHFFFAOYSA-N 0 1 253.214 -0.224 20 5 CBBDMN COCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000356775410 248286467 /nfs/dbraw/zinc/28/64/67/248286467.db2.gz KGYPCRGKMQDJQA-SNVBAGLBSA-N 0 1 297.267 -0.079 20 5 CBBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000356870078 248296931 /nfs/dbraw/zinc/29/69/31/248296931.db2.gz CXQPOMRPSYSSIA-BDAKNGLRSA-N 0 1 282.304 -0.263 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000356926269 248301151 /nfs/dbraw/zinc/30/11/51/248301151.db2.gz SQLGKBIEJOVXFQ-ZJUUUORDSA-N 0 1 294.311 -0.035 20 5 CBBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000357040506 248311441 /nfs/dbraw/zinc/31/14/41/248311441.db2.gz CYHMXEAZCVHUAP-UHFFFAOYSA-N 0 1 278.232 -0.740 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000357050196 248313652 /nfs/dbraw/zinc/31/36/52/248313652.db2.gz NXOMVAJXTITYGG-UHFFFAOYSA-N 0 1 290.243 -0.496 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000265964596 190219058 /nfs/dbraw/zinc/21/90/58/190219058.db2.gz ZKLTZILCATXEIR-UHFFFAOYSA-N 0 1 267.245 -0.459 20 5 CBBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278717476 194119450 /nfs/dbraw/zinc/11/94/50/194119450.db2.gz KMLDZBBXBYPQCP-RTXFEEFZSA-N 0 1 298.295 -0.628 20 5 CBBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278717484 194119609 /nfs/dbraw/zinc/11/96/09/194119609.db2.gz KMLDZBBXBYPQCP-WCFLWFBJSA-N 0 1 298.295 -0.628 20 5 CBBDMN COc1ccc(CNC(=O)CNC(=O)CN)cc1[N+](=O)[O-] ZINC000347645436 218304577 /nfs/dbraw/zinc/30/45/77/218304577.db2.gz DEDSKBNGDKCNES-UHFFFAOYSA-N 0 1 296.283 -0.706 20 5 CBBDMN CCC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1nn[nH]n1 ZINC000268254159 190390351 /nfs/dbraw/zinc/39/03/51/190390351.db2.gz XOJRFAAVGIUBQD-ZETCQYMHSA-N 0 1 294.275 -0.038 20 5 CBBDMN CN1C(=O)CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000425093480 208002975 /nfs/dbraw/zinc/00/29/75/208002975.db2.gz SHPQVUDOPFFKIH-RXMQYKEDSA-N 0 1 281.228 -0.805 20 5 CBBDMN CN(Cc1nnc[nH]1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000432927844 208234011 /nfs/dbraw/zinc/23/40/11/208234011.db2.gz OSWDSLGQPZVTIQ-UHFFFAOYSA-N 0 1 277.244 -0.157 20 5 CBBDMN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000443037008 208375494 /nfs/dbraw/zinc/37/54/94/208375494.db2.gz NATAQSVIVWLPNO-CAHLUQPWSA-N 0 1 267.245 -0.428 20 5 CBBDMN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000353804423 220338701 /nfs/dbraw/zinc/33/87/01/220338701.db2.gz ZHKKNGBZAGMPNG-ZETCQYMHSA-N 0 1 294.275 -0.030 20 5 CBBDMN COC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000377482752 533650299 /nfs/dbraw/zinc/65/02/99/533650299.db2.gz SDMNHHMMDOHGIS-VGMNWLOBSA-N 0 1 272.257 -0.558 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331179346 533660753 /nfs/dbraw/zinc/66/07/53/533660753.db2.gz QZLAAURQEJXVFL-MRVPVSSYSA-N 0 1 297.315 -0.235 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000494681769 533662817 /nfs/dbraw/zinc/66/28/17/533662817.db2.gz MILJGHMVXWVYGB-XPUUQOCRSA-N 0 1 284.272 -0.152 20 5 CBBDMN CN(CC(=O)N1CCNCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000038031257 174024232 /nfs/dbraw/zinc/02/42/32/174024232.db2.gz BZJOJCCJVAKAKK-UHFFFAOYSA-N 0 1 295.299 -0.573 20 5 CBBDMN CN(C)C1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290977826 419612274 /nfs/dbraw/zinc/61/22/74/419612274.db2.gz RAAVQYMBIQCQJC-UHFFFAOYSA-N 0 1 265.273 -0.161 20 5 CBBDMN CCOC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000359957034 419998465 /nfs/dbraw/zinc/99/84/65/419998465.db2.gz NAHCOWCCAPSJOZ-MNOVXSKESA-N 0 1 299.327 -0.251 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]12CCOC2=O ZINC000364449549 420040065 /nfs/dbraw/zinc/04/00/65/420040065.db2.gz VESWVXVPZKFKQD-XLDPMVHQSA-N 0 1 254.242 -0.040 20 5 CBBDMN CCN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1=O ZINC000364543150 420042151 /nfs/dbraw/zinc/04/21/51/420042151.db2.gz LREHHKCYDAGBRU-DTWKUNHWSA-N 0 1 255.274 -0.268 20 5 CBBDMN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000365272904 420059138 /nfs/dbraw/zinc/05/91/38/420059138.db2.gz MZGCBJOQBQPHJG-IWSPIJDZSA-N 0 1 291.329 -0.808 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@@H]2CCOC2)CC1 ZINC000366052572 420075272 /nfs/dbraw/zinc/07/52/72/420075272.db2.gz LSOIRLLVSICKNZ-GMTAPVOTSA-N 0 1 269.301 -0.415 20 5 CBBDMN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000370221127 420172928 /nfs/dbraw/zinc/17/29/28/420172928.db2.gz SMDXNBYRLYRLRM-HLTSFMKQSA-N 0 1 296.283 -0.854 20 5 CBBDMN Nc1nc(N2CC[C@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-] ZINC000425278090 420262512 /nfs/dbraw/zinc/26/25/12/420262512.db2.gz DPFQOUULJZUUMY-LURJTMIESA-N 0 1 276.260 0.079 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000377713409 230298714 /nfs/dbraw/zinc/29/87/14/230298714.db2.gz WRHJDXUHCXULEB-GDPRMGEGSA-N 0 1 279.300 -0.220 20 5 CBBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1(O)CNC1 ZINC000595953220 420487416 /nfs/dbraw/zinc/48/74/16/420487416.db2.gz XQCKRSLLHJPHDJ-UHFFFAOYSA-N 0 1 277.240 -0.256 20 5 CBBDMN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000378053935 289047093 /nfs/dbraw/zinc/04/70/93/289047093.db2.gz NPPAJBKTIYCUKG-KKOKHZNYSA-N 0 1 283.328 -0.027 20 5 CBBDMN CN1C(=O)C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000563399854 328062285 /nfs/dbraw/zinc/06/22/85/328062285.db2.gz WNRSAOMVJDAYQO-SECBINFHSA-N 0 1 293.235 -0.213 20 5 CBBDMN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565598417 334577898 /nfs/dbraw/zinc/57/78/98/334577898.db2.gz YKVFYAYXTIHJCZ-SSDOTTSWSA-N 0 1 274.302 -0.137 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCNCC2)n1 ZINC000568745376 334838575 /nfs/dbraw/zinc/83/85/75/334838575.db2.gz VDYJINRDFGJKGT-UHFFFAOYSA-N 0 1 253.262 -0.143 20 5 CBBDMN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000581370840 336063164 /nfs/dbraw/zinc/06/31/64/336063164.db2.gz DQTYQVICKUMNBV-VHSXEESVSA-N 0 1 294.311 -0.035 20 5 CBBDMN Cc1nc2n(n1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000377963089 534696699 /nfs/dbraw/zinc/69/66/99/534696699.db2.gz NPSGVMWWUKJETI-HTQZYQBOSA-N 0 1 251.246 -0.406 20 5 CBBDMN CCN(CC(=O)NC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842612 582278318 /nfs/dbraw/zinc/27/83/18/582278318.db2.gz IVNSUGSOYNVSDN-JTQLQIEISA-N 0 1 285.304 -0.780 20 5 CBBDMN COC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000780677405 582364432 /nfs/dbraw/zinc/36/44/32/582364432.db2.gz VRXXRFNXEFWLAE-SECBINFHSA-N 0 1 283.240 -0.470 20 5 CBBDMN O=C(NN1CN=NC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000782123859 582367575 /nfs/dbraw/zinc/36/75/75/582367575.db2.gz HHVVPVDZXKMYDB-UHFFFAOYSA-N 0 1 265.185 -0.019 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000783760154 582372726 /nfs/dbraw/zinc/37/27/26/582372726.db2.gz NJBYZWDXQXKSNB-ZCFIWIBFSA-N 0 1 281.272 -0.071 20 5 CBBDMN O=C(OCCN1CCOCC1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000785309870 582375604 /nfs/dbraw/zinc/37/56/04/582375604.db2.gz ILEPPFOSTLYATE-UHFFFAOYSA-N 0 1 283.240 -0.062 20 5 CBBDMN Cc1nc(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000795371824 582408559 /nfs/dbraw/zinc/40/85/59/582408559.db2.gz BKBLBQHIXSFTBA-UHFFFAOYSA-N 0 1 293.239 -0.074 20 5 CBBDMN O=C([O-])[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819240062 582529607 /nfs/dbraw/zinc/52/96/07/582529607.db2.gz GWEMNWRLLBZVFZ-UWVGGRQHSA-N 0 1 284.272 -0.299 20 5 CBBDMN C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827443079 582816853 /nfs/dbraw/zinc/81/68/53/582816853.db2.gz YDRBSUDJFFMMPH-WCBMZHEXSA-N 0 1 286.288 -0.195 20 5 CBBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828024252 582840639 /nfs/dbraw/zinc/84/06/39/582840639.db2.gz KHLLJHFWIJTWMN-ZYHUDNBSSA-N 0 1 298.299 -0.051 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCN1C ZINC000830136455 582921887 /nfs/dbraw/zinc/92/18/87/582921887.db2.gz XZPUZTWHXUEIJR-VIFPVBQESA-N 0 1 267.289 -0.080 20 5 CBBDMN O=C([O-])N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000832386793 583023412 /nfs/dbraw/zinc/02/34/12/583023412.db2.gz MULTZLLTNZBDOU-PSASIEDQSA-N 0 1 299.287 -0.506 20 5 CBBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cccnc1 ZINC000839622573 583156803 /nfs/dbraw/zinc/15/68/03/583156803.db2.gz FDAHUWAEMRAIDR-RKDXNWHRSA-N 0 1 264.241 -0.199 20 5 CBBDMN NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839578025 583156903 /nfs/dbraw/zinc/15/69/03/583156903.db2.gz JJLODINVFROEIT-GMTAPVOTSA-N 0 1 277.280 -0.136 20 5 CBBDMN CC1(C)COCCN1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839652073 583157155 /nfs/dbraw/zinc/15/71/55/583157155.db2.gz SXNPHBBLFBNROR-NXEZZACHSA-N 0 1 271.317 -0.121 20 5 CBBDMN CC(C)COC[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696593 583158131 /nfs/dbraw/zinc/15/81/31/583158131.db2.gz NYQHVNFNRRSODC-OPRDCNLKSA-N 0 1 260.290 -0.199 20 5 CBBDMN C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701657 583158155 /nfs/dbraw/zinc/15/81/55/583158155.db2.gz YONXEMAVWRAOQB-UTINFBMNSA-N 0 1 258.274 -0.038 20 5 CBBDMN CC(C)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714173 583158401 /nfs/dbraw/zinc/15/84/01/583158401.db2.gz CPCPETLTIWTZEM-RKDXNWHRSA-N 0 1 257.290 -0.070 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000839710098 583158471 /nfs/dbraw/zinc/15/84/71/583158471.db2.gz VDHAICXCPLOMBS-SGIHWFKDSA-N 0 1 257.290 -0.513 20 5 CBBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1CCO ZINC000839733090 583158650 /nfs/dbraw/zinc/15/86/50/583158650.db2.gz ZGQKHPSFJBUTGT-IVZWLZJFSA-N 0 1 257.290 -0.823 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000839777173 583159548 /nfs/dbraw/zinc/15/95/48/583159548.db2.gz RGTKXHBNZJHSHS-DJLDLDEBSA-N 0 1 291.329 -0.856 20 5 CBBDMN O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839793586 583159939 /nfs/dbraw/zinc/15/99/39/583159939.db2.gz UYYZHSQFUZUIRL-SGIHWFKDSA-N 0 1 267.285 -0.079 20 5 CBBDMN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840378247 583164557 /nfs/dbraw/zinc/16/45/57/583164557.db2.gz CKYXTOAKPWOBBZ-LURQLKTLSA-N 0 1 255.274 -0.188 20 5 CBBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000840425528 583164766 /nfs/dbraw/zinc/16/47/66/583164766.db2.gz AOBOFLQREYNIGG-KDXUFGMBSA-N 0 1 255.274 -0.236 20 5 CBBDMN COC(=O)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000840411084 583164929 /nfs/dbraw/zinc/16/49/29/583164929.db2.gz SZMLJIMGAPQICC-HBNTYKKESA-N 0 1 299.327 -0.253 20 5 CBBDMN O=C(OCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC1[N+](=O)[O-] ZINC000840669614 583166313 /nfs/dbraw/zinc/16/63/13/583166313.db2.gz FARKSQRHCVZWPM-WCTZXXKLSA-N 0 1 288.212 -0.597 20 5 CBBDMN O=C(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)NCCO ZINC000843072082 583199872 /nfs/dbraw/zinc/19/98/72/583199872.db2.gz TWEUVTOFSAUUGL-NSHDSACASA-N 0 1 283.284 -0.674 20 5 CBBDMN Cn1cnc(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000843661120 583234422 /nfs/dbraw/zinc/23/44/22/583234422.db2.gz QJTDEXIOVYCVGO-HTQZYQBOSA-N 0 1 253.262 -0.471 20 5 CBBDMN CCN1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000846461698 583363069 /nfs/dbraw/zinc/36/30/69/583363069.db2.gz OWWCPCLMLCMBAF-IWSPIJDZSA-N 0 1 255.274 -0.364 20 5 CBBDMN O=C(NCC[C@]1(O)CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000846597015 583377099 /nfs/dbraw/zinc/37/70/99/583377099.db2.gz RBUZYEDLCKHZLB-FXPVBKGRSA-N 0 1 258.274 -0.301 20 5 CBBDMN COC(=O)CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000847552515 583409920 /nfs/dbraw/zinc/40/99/20/583409920.db2.gz VRKGCNQCKSVFLK-RKDXNWHRSA-N 0 1 286.284 -0.120 20 5 CBBDMN O=C1OCC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849369032 583478063 /nfs/dbraw/zinc/47/80/63/583478063.db2.gz WIXOISBEBDAOSJ-LURJTMIESA-N 0 1 287.253 -0.416 20 5 CBBDMN Nc1n[nH]c(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000854502972 583605424 /nfs/dbraw/zinc/60/54/24/583605424.db2.gz HGJDHAAFKHCXSK-HTQZYQBOSA-N 0 1 280.288 -0.242 20 5 CBBDMN C[NH+](C)CCONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000854945604 583629190 /nfs/dbraw/zinc/62/91/90/583629190.db2.gz MSULHFVZCVWWSI-UHFFFAOYSA-N 0 1 270.245 -0.082 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC000855167900 583634984 /nfs/dbraw/zinc/63/49/84/583634984.db2.gz STAHFFKHIGXVJM-HTQZYQBOSA-N 0 1 279.318 -0.951 20 5 CBBDMN C[C@H]1CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855405961 583637388 /nfs/dbraw/zinc/63/73/88/583637388.db2.gz BFKGWKHOGUUEHD-UKKRHICBSA-N 0 1 271.317 -0.123 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](O)C(F)(F)C1 ZINC000855447765 583640172 /nfs/dbraw/zinc/64/01/72/583640172.db2.gz WPIUGFHUQMXPRG-QYNIQEEDSA-N 0 1 250.201 -0.120 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CCOC2=O)C1 ZINC000855499454 583642397 /nfs/dbraw/zinc/64/23/97/583642397.db2.gz YMRNXDGQBTVFKL-IWSPIJDZSA-N 0 1 269.257 -0.295 20 5 CBBDMN O=C(NOCCN1CCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000856042020 583654233 /nfs/dbraw/zinc/65/42/33/583654233.db2.gz PHLWLCIDFKGEMK-UHFFFAOYSA-N 0 1 283.244 -0.398 20 5 CBBDMN CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000857424153 583671114 /nfs/dbraw/zinc/67/11/14/583671114.db2.gz NDMPGZMPNYVQIN-PHDIDXHHSA-N 0 1 299.205 -0.280 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)C2CC2)n1 ZINC000859008568 583706398 /nfs/dbraw/zinc/70/63/98/583706398.db2.gz OGQQXUJCIXYIDW-ZETCQYMHSA-N 0 1 290.301 -0.623 20 5 CBBDMN CCON(CC)C(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862626253 583810887 /nfs/dbraw/zinc/81/08/87/583810887.db2.gz VMMKURNPWVYCAE-HTQZYQBOSA-N 0 1 259.262 -0.432 20 5 CBBDMN COCCOCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862680475 583816327 /nfs/dbraw/zinc/81/63/27/583816327.db2.gz OWIBPYXSTDRVMC-NXEZZACHSA-N 0 1 276.289 -0.865 20 5 CBBDMN CO[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000870528109 584015603 /nfs/dbraw/zinc/01/56/03/584015603.db2.gz VAGDUHGMUYIVPM-TURQNECASA-N 0 1 258.274 -0.350 20 5 CBBDMN CC[C@H]1COCCN1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000874710565 584090166 /nfs/dbraw/zinc/09/01/66/584090166.db2.gz KFRRAFYVOUCSAW-HBNTYKKESA-N 0 1 271.317 -0.121 20 5 CBBDMN C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886812416 584446675 /nfs/dbraw/zinc/44/66/75/584446675.db2.gz OPZWARPOVHRBJL-IWSPIJDZSA-N 0 1 276.314 -0.313 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)N(C)C)C1 ZINC000950055653 614651217 /nfs/dbraw/zinc/65/12/17/614651217.db2.gz JPTHPPANUXDSJA-GHMZBOCLSA-N 0 1 298.343 -0.728 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc[nH]c2)C1 ZINC000954242580 615867315 /nfs/dbraw/zinc/86/73/15/615867315.db2.gz USQJOYXROIEMBD-GHMZBOCLSA-N 0 1 292.295 -0.037 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnco1 ZINC000996653806 656449238 /nfs/dbraw/zinc/44/92/38/656449238.db2.gz FKZNMFNZQZQCBJ-HTQZYQBOSA-N 0 1 280.240 -0.720 20 5 CBBDMN O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000909395047 656810107 /nfs/dbraw/zinc/81/01/07/656810107.db2.gz MAXHFEQIHUQREC-JDDHQFAOSA-N 0 1 257.242 -0.001 20 5 CBBDMN O=C(NCC1CN(C(=O)c2cocn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001797194 656821890 /nfs/dbraw/zinc/82/18/90/656821890.db2.gz WTDWXGMNBVOASY-PSASIEDQSA-N 0 1 294.267 -0.472 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(N)=O)CC1 ZINC001005375708 656899288 /nfs/dbraw/zinc/89/92/88/656899288.db2.gz PKIVQOJCAHNOFK-NXEZZACHSA-N 0 1 284.316 -0.940 20 5 CBBDMN CSCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010164400 657132506 /nfs/dbraw/zinc/13/25/06/657132506.db2.gz BKCZQBCUHYNFJI-RKDXNWHRSA-N 0 1 287.341 -0.315 20 5 CBBDMN O=C(c1ncc[nH]1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011099450 657256772 /nfs/dbraw/zinc/25/67/72/657256772.db2.gz VCLWPSXGYDWOFG-RKDXNWHRSA-N 0 1 293.283 -0.641 20 5 CBBDMN COCC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017444266 657762312 /nfs/dbraw/zinc/76/23/12/657762312.db2.gz VVMJQDNROMYVHD-GHMZBOCLSA-N 0 1 297.311 -0.427 20 5 CBBDMN CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018645331 657831549 /nfs/dbraw/zinc/83/15/49/657831549.db2.gz CXZNEVSMFHWCII-NXEZZACHSA-N 0 1 267.285 -0.268 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000922431294 658041654 /nfs/dbraw/zinc/04/16/54/658041654.db2.gz JAGRDUDDWZWCAZ-SGIHWFKDSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C(C1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000959777780 658724643 /nfs/dbraw/zinc/72/46/43/658724643.db2.gz RHZWCMHADXEECG-WRWGMCAJSA-N 0 1 293.323 -0.022 20 5 CBBDMN COCCNC(=O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929167933 659097451 /nfs/dbraw/zinc/09/74/51/659097451.db2.gz WGWXKSUFVCDQCG-UHFFFAOYSA-N 0 1 259.306 -0.262 20 5 CBBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)F ZINC000978794034 659231378 /nfs/dbraw/zinc/23/13/78/659231378.db2.gz DSIQTOFQMLVONH-ULAWRXDQSA-N 0 1 291.254 -0.072 20 5 CBBDMN CN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1CO ZINC000931407303 659453568 /nfs/dbraw/zinc/45/35/68/659453568.db2.gz HNPUUDVFGMLKNC-SNVBAGLBSA-N 0 1 269.305 -0.600 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccco1 ZINC000990077530 659667403 /nfs/dbraw/zinc/66/74/03/659667403.db2.gz PBDYPXLCLKFBNM-RKDXNWHRSA-N 0 1 279.252 -0.115 20 5 CBBDMN O=C(Cc1ccon1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990557041 659759064 /nfs/dbraw/zinc/75/90/64/659759064.db2.gz MDJZRAQYDAQDQK-NXEZZACHSA-N 0 1 294.267 -0.791 20 5 CBBDMN Cc1[nH]ccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990732537 659787580 /nfs/dbraw/zinc/78/75/80/659787580.db2.gz KBWYDZOGGIIQCJ-GHMZBOCLSA-N 0 1 292.295 -0.071 20 5 CBBDMN C/C=C(/C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991278450 659829173 /nfs/dbraw/zinc/82/91/73/659829173.db2.gz HRWJMSGCWNNJAX-DKBAEGMRSA-N 0 1 267.285 -0.055 20 5 CBBDMN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC000991278561 659829203 /nfs/dbraw/zinc/82/92/03/659829203.db2.gz IKOLSHMKPAVVOH-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(/C=C/C1CC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991280362 659829636 /nfs/dbraw/zinc/82/96/36/659829636.db2.gz QDOSRUVFYMHZAF-YIZUVKHSSA-N 0 1 279.296 -0.055 20 5 CBBDMN Cn1nccc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279444 659829763 /nfs/dbraw/zinc/82/97/63/659829763.db2.gz LMHJQMBOZHJOKN-PSASIEDQSA-N 0 1 293.283 -0.974 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991279349 659829969 /nfs/dbraw/zinc/82/99/69/659829969.db2.gz KSGGBHHZHTYZOY-MWLCHTKSSA-N 0 1 290.279 -0.313 20 5 CBBDMN Cc1nocc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991291974 659830633 /nfs/dbraw/zinc/83/06/33/659830633.db2.gz AHERMMLNHSXPBN-PSASIEDQSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(NC1CN(C(=O)c2cccnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991293408 659830672 /nfs/dbraw/zinc/83/06/72/659830672.db2.gz MZJOCLJEAYPCNO-PSASIEDQSA-N 0 1 291.267 -0.918 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991293994 659830707 /nfs/dbraw/zinc/83/07/07/659830707.db2.gz QJZPLOVQOTVAGZ-HTQZYQBOSA-N 0 1 296.308 -0.251 20 5 CBBDMN O=C(Cc1ccco1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991294188 659830861 /nfs/dbraw/zinc/83/08/61/659830861.db2.gz UHQOBPHYELTNQB-GHMZBOCLSA-N 0 1 293.279 -0.186 20 5 CBBDMN Cc1c[nH]cc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991701849 659841064 /nfs/dbraw/zinc/84/10/64/659841064.db2.gz JLQUSIVTQLYEMS-MWLCHTKSSA-N 0 1 292.295 -0.071 20 5 CBBDMN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304332689 790470828 /nfs/dbraw/zinc/47/08/28/790470828.db2.gz OFGQFOJJKOKJTP-NSHDSACASA-N 0 1 269.305 -0.600 20 5 CBBDMN Cc1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001022063952 790986313 /nfs/dbraw/zinc/98/63/13/790986313.db2.gz QNBYDDWWJJLBMV-UTINFBMNSA-N 0 1 295.299 -0.220 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NCc2csnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063388 790987214 /nfs/dbraw/zinc/98/72/14/790987214.db2.gz ADEKSCFIUWLPMS-BKFJMODKSA-N 0 1 297.340 -0.060 20 5 CBBDMN CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080649355 805998040 /nfs/dbraw/zinc/99/80/40/805998040.db2.gz INQSZQXHCMWTRZ-NXEZZACHSA-N 0 1 285.300 -0.859 20 5 CBBDMN CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856656 806013135 /nfs/dbraw/zinc/01/31/35/806013135.db2.gz OPSJTIQLGDZQKT-NXEZZACHSA-N 0 1 285.300 -0.859 20 5 CBBDMN Cc1ccnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030292311 799290283 /nfs/dbraw/zinc/29/02/83/799290283.db2.gz CGWZQUBLKHRTBD-GHMZBOCLSA-N 0 1 291.311 -0.249 20 5 CBBDMN Cn1ccnc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661694 799529969 /nfs/dbraw/zinc/52/99/69/799529969.db2.gz FDSOXYZAKRCULV-GHMZBOCLSA-N 0 1 293.327 -0.367 20 5 CBBDMN CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001041177750 801374988 /nfs/dbraw/zinc/37/49/88/801374988.db2.gz OABQQCSUSBYECY-RKDXNWHRSA-N 0 1 285.300 -0.859 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cnn(C)c2)C1 ZINC001042705248 801511302 /nfs/dbraw/zinc/51/13/02/801511302.db2.gz OHVYPFRHGZPRGT-VXGBXAGGSA-N 0 1 293.327 -0.272 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ncnn2C)C1 ZINC001042705826 801511410 /nfs/dbraw/zinc/51/14/10/801511410.db2.gz YWKODSIMZUBITH-NXEZZACHSA-N 0 1 294.315 -0.877 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2csnn2)C1 ZINC001042705444 801512114 /nfs/dbraw/zinc/51/21/14/801512114.db2.gz RAXIBSYVMSDMIX-NXEZZACHSA-N 0 1 297.340 -0.154 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CN(CC3CC3)C2)C1 ZINC001053253670 802245099 /nfs/dbraw/zinc/24/50/99/802245099.db2.gz UCDUMABATIPHIP-VXGBXAGGSA-N 0 1 295.339 -0.025 20 5 CBBDMN CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543502 802514756 /nfs/dbraw/zinc/51/47/56/802514756.db2.gz LJPPAYGTYKDDAK-NXEZZACHSA-N 0 1 287.316 -0.611 20 5 CBBDMN CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057835576 802521673 /nfs/dbraw/zinc/52/16/73/802521673.db2.gz DCDRONXMEBGGPX-NXEZZACHSA-N 0 1 299.327 -0.611 20 5 CBBDMN O=C(NC[C@H](CO)[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001322483761 803901737 /nfs/dbraw/zinc/90/17/37/803901737.db2.gz HCBZSKVQTRLASQ-JGVFFNPUSA-N 0 1 284.272 -0.307 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCNC2=O)c1[N+](=O)[O-] ZINC001324502013 804161743 /nfs/dbraw/zinc/16/17/43/804161743.db2.gz JWMFRQBETCNWPP-LURJTMIESA-N 0 1 267.245 -0.413 20 5 CBBDMN CC[S@](=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001324598480 804175161 /nfs/dbraw/zinc/17/51/61/804175161.db2.gz BOZXNSRQIVDUPR-KRWDZBQOSA-N 0 1 260.275 -0.184 20 5 CBBDMN Cn1ncc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001324748397 804191566 /nfs/dbraw/zinc/19/15/66/804191566.db2.gz VRFFHMSNDXOJRJ-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001152823908 815137392 /nfs/dbraw/zinc/13/73/92/815137392.db2.gz TZUOCLQXLCFEHH-KYXWUPHJSA-N 0 1 283.284 -0.842 20 5 CBBDMN O=C(NCCCNCc1cnon1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767869 815465068 /nfs/dbraw/zinc/46/50/68/815465068.db2.gz YSMOUDOHXVTCRM-RKDXNWHRSA-N 0 1 269.261 -0.669 20 5 CBBDMN COc1ncnc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001157915614 815481964 /nfs/dbraw/zinc/48/19/64/815481964.db2.gz TYYYXCPJSBIAEC-UHFFFAOYSA-N 0 1 295.303 -0.013 20 5 CBBDMN NCc1nnnn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158075435 815501630 /nfs/dbraw/zinc/50/16/30/815501630.db2.gz ZMNGESNZEJVWMS-UHFFFAOYSA-N 0 1 272.228 -0.028 20 5 CBBDMN NCc1nnnn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001158080220 815502851 /nfs/dbraw/zinc/50/28/51/815502851.db2.gz IBSCDTMLQXWMCZ-UHFFFAOYSA-N 0 1 272.228 -0.028 20 5 CBBDMN COC(=O)c1ccc([N+](=O)[O-])c(-n2nnnc2CN)n1 ZINC001158080553 815502883 /nfs/dbraw/zinc/50/28/83/815502883.db2.gz SMSLCFZTUZESGQ-UHFFFAOYSA-N 0 1 279.216 -0.789 20 5 CBBDMN CC(=O)NCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001116410329 812255047 /nfs/dbraw/zinc/25/50/47/812255047.db2.gz YVYIZGFEQQYLFU-UHFFFAOYSA-N 0 1 255.234 -0.426 20 5 CBBDMN Cc1nc2n(n1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC001116415421 812256554 /nfs/dbraw/zinc/25/65/54/812256554.db2.gz UUTAJIMMDXYKHE-SSDOTTSWSA-N 0 1 291.271 -0.037 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CCC(CO)(CO)C2)c1 ZINC001118501529 812560604 /nfs/dbraw/zinc/56/06/04/812560604.db2.gz MGCDOPDSTHDTOL-UHFFFAOYSA-N 0 1 270.289 -0.532 20 5 CBBDMN CN1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC001118852497 812641359 /nfs/dbraw/zinc/64/13/59/812641359.db2.gz MERQOYYQXCDZJQ-SSDOTTSWSA-N 0 1 281.272 -0.084 20 5 CBBDMN O=C(NCCN1CC[C@@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001118953422 812674965 /nfs/dbraw/zinc/67/49/65/812674965.db2.gz QGQSKEFDNXSILS-SSDOTTSWSA-N 0 1 269.261 -0.886 20 5 CBBDMN CN(C)C(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001124014550 813389821 /nfs/dbraw/zinc/38/98/21/813389821.db2.gz IZPNDIVHOGUSLP-IVZWLZJFSA-N 0 1 269.301 -0.022 20 5 CBBDMN CCc1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126936886 813697365 /nfs/dbraw/zinc/69/73/65/813697365.db2.gz WCYGMUIMRHVWIY-HTQZYQBOSA-N 0 1 299.356 -0.029 20 5 CBBDMN CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001127158980 813718660 /nfs/dbraw/zinc/71/86/60/813718660.db2.gz CCTYDNRSNPZXFU-HBNTYKKESA-N 0 1 269.301 -0.022 20 5 CBBDMN Cn1cc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001130053419 813902359 /nfs/dbraw/zinc/90/23/59/813902359.db2.gz CUVDKKFWOHNKFU-RNFRBKRXSA-N 0 1 253.262 -0.168 20 5 CBBDMN Cn1cnnc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001136704447 814569948 /nfs/dbraw/zinc/56/99/48/814569948.db2.gz WSSUMVZKPRAMEI-UHFFFAOYSA-N 0 1 265.233 -0.581 20 5 CBBDMN O=C(NCC1(CO)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001137698585 814590163 /nfs/dbraw/zinc/59/01/63/814590163.db2.gz CLLGCLPYMTVVCL-RKDXNWHRSA-N 0 1 258.274 -0.443 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN(CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC001142103530 814687517 /nfs/dbraw/zinc/68/75/17/814687517.db2.gz NBMYFRAOXYWJOZ-QMMMGPOBSA-N 0 1 297.315 -0.235 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN(CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC001142103529 814687698 /nfs/dbraw/zinc/68/76/98/814687698.db2.gz NBMYFRAOXYWJOZ-MRVPVSSYSA-N 0 1 297.315 -0.235 20 5 CBBDMN CC(C)OCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001292387182 816443520 /nfs/dbraw/zinc/44/35/20/816443520.db2.gz HNUCKSKCAYIZIU-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293965375 816530130 /nfs/dbraw/zinc/53/01/30/816530130.db2.gz KTNKSSWFEJZBEH-ASSXTNMASA-N 0 1 296.283 -0.854 20 5 CBBDMN CNC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001296171243 816602257 /nfs/dbraw/zinc/60/22/57/816602257.db2.gz YBWOFTUXIQSGNX-BWZBUEFSSA-N 0 1 256.262 -0.819 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2nc[nH]n2)n1 ZINC001298359916 816678844 /nfs/dbraw/zinc/67/88/44/816678844.db2.gz UMVDARCDKGPMLX-UHFFFAOYSA-N 0 1 265.233 -0.581 20 5 CBBDMN O=C(NC1(CCO)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001300543867 816741016 /nfs/dbraw/zinc/74/10/16/816741016.db2.gz XONNZUHDZGDLKT-RKDXNWHRSA-N 0 1 258.274 -0.301 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001301121711 816743731 /nfs/dbraw/zinc/74/37/31/816743731.db2.gz IWXCDHQUTIUIEA-JVXZTZIISA-N 0 1 298.299 -0.162 20 5 CBBDMN C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001303625876 816771440 /nfs/dbraw/zinc/77/14/40/816771440.db2.gz KGVSPZOCGNCJSF-UHFFFAOYSA-N 0 1 283.284 -0.046 20 5 CBBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001309458761 816830283 /nfs/dbraw/zinc/83/02/83/816830283.db2.gz QLWRGDBJWFZAQW-UHFFFAOYSA-N 0 1 298.284 -0.071 20 5 CBBDMN CCn1ncnc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448690 816983610 /nfs/dbraw/zinc/98/36/10/816983610.db2.gz XRDLVCBJIDCBTI-NXEZZACHSA-N 0 1 296.331 -0.489 20 5 CBBDMN Cn1cnnc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001318725298 817138151 /nfs/dbraw/zinc/13/81/51/817138151.db2.gz VDPSATJYINRPLO-UHFFFAOYSA-N 0 1 298.284 -0.403 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1c[nH]nn1 ZINC001319349965 817195356 /nfs/dbraw/zinc/19/53/56/817195356.db2.gz BTOQMFWHKNLVTA-UHFFFAOYSA-N 0 1 265.233 -0.466 20 5 CBBDMN CN(C)CCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319591305 817223189 /nfs/dbraw/zinc/22/31/89/817223189.db2.gz HUZYYIJUVZNNPE-UHFFFAOYSA-N 0 1 282.300 -0.224 20 5 CBBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NC1CC1 ZINC001319599133 817224172 /nfs/dbraw/zinc/22/41/72/817224172.db2.gz VYZZDFROQQCEAL-UHFFFAOYSA-N 0 1 253.218 -0.674 20 5 CBBDMN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1nnc[nH]1 ZINC001319883620 817250908 /nfs/dbraw/zinc/25/09/08/817250908.db2.gz DQYOHRUIEVZBBA-YFKPBYRVSA-N 0 1 265.233 -0.063 20 5 CBBDMN C[C@H](CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC001320692999 817376936 /nfs/dbraw/zinc/37/69/36/817376936.db2.gz SPEKWMKDYULNNE-ZCFIWIBFSA-N 0 1 294.275 -0.283 20 5 CBBDMN COCC[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001321164215 817453552 /nfs/dbraw/zinc/45/35/52/817453552.db2.gz CZIGPWYYPYWKMQ-ZCFIWIBFSA-N 0 1 258.234 -0.555 20 5 CBBDMN C[S@](=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001321219415 817462967 /nfs/dbraw/zinc/46/29/67/817462967.db2.gz ABYWINUCBSTYGG-SFHVURJKSA-N 0 1 272.286 -0.041 20 5 CBBDMN O=C1NCCN(c2ncc(F)cc2[N+](=O)[O-])C12CNC2 ZINC001165298068 819950517 /nfs/dbraw/zinc/95/05/17/819950517.db2.gz QHSVWAAQYHZNNJ-UHFFFAOYSA-N 0 1 281.247 -0.593 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001165437613 819961025 /nfs/dbraw/zinc/96/10/25/819961025.db2.gz AHCOACRXRVXREM-MRVPVSSYSA-N 0 1 281.272 -0.477 20 5 CBBDMN COc1ccc([N+](=O)[O-])nc1-n1nnnc1CN ZINC001168920332 820190749 /nfs/dbraw/zinc/19/07/49/820190749.db2.gz NJTHUAFVNFHVGO-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN NCc1nnnn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001168919208 820191452 /nfs/dbraw/zinc/19/14/52/820191452.db2.gz VZLYHLYHUZLJGL-UHFFFAOYSA-N 0 1 260.217 -0.095 20 5 CBBDMN NCc1nnnn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001168921095 820193341 /nfs/dbraw/zinc/19/33/41/820193341.db2.gz RGGJGZHNHANWLI-UHFFFAOYSA-N 0 1 272.228 -0.028 20 5 CBBDMN NCc1nnnn1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001168924452 820194299 /nfs/dbraw/zinc/19/42/99/820194299.db2.gz XOMDHDXFYKDABH-UHFFFAOYSA-N 0 1 275.228 -0.727 20 5 CBBDMN CN1Cc2cc(-n3nnnc3CN)cc([N+](=O)[O-])c2N1 ZINC001168924444 820195121 /nfs/dbraw/zinc/19/51/21/820195121.db2.gz XGQHUDBMPWDQIU-UHFFFAOYSA-N 0 1 276.260 -0.199 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])cc(-n2nnnc2CN)c1 ZINC001168924568 820195242 /nfs/dbraw/zinc/19/52/42/820195242.db2.gz NBCSXUMAMSTCNH-UHFFFAOYSA-N 0 1 278.228 -0.184 20 5 CBBDMN Nc1ccnc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001170046024 820275444 /nfs/dbraw/zinc/27/54/44/820275444.db2.gz VFWFTBYQMWRPSL-SSDOTTSWSA-N 0 1 253.262 -0.028 20 5 CBBDMN COc1ccc(C[C@H](C)N[C@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306606 820286458 /nfs/dbraw/zinc/28/64/58/820286458.db2.gz YMYKNZNNLKLXMF-GZMMTYOYSA-N 0 1 297.311 -0.030 20 5 CBBDMN Nc1ncc(C(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001170536510 820302974 /nfs/dbraw/zinc/30/29/74/820302974.db2.gz PNLWMAPYVGZTCP-SECBINFHSA-N 0 1 295.299 -0.632 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CCNCc1ccon1 ZINC001279710745 828335018 /nfs/dbraw/zinc/33/50/18/828335018.db2.gz BVHLDXRWUJFPEC-GHMZBOCLSA-N 0 1 298.299 -0.750 20 5 CBBDMN O=C(NCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001283005291 828489559 /nfs/dbraw/zinc/48/95/59/828489559.db2.gz SNYSVJPFSPQMJN-ZKKRXERASA-N 0 1 281.312 -0.070 20 5 CBBDMN COCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001284146755 828569090 /nfs/dbraw/zinc/56/90/90/828569090.db2.gz YYPGLBDDHNNFED-GPTQDWHKSA-N 0 1 297.311 -0.739 20 5 CBBDMN CN(CCNC(=O)CC(C)(C)O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284517226 828607209 /nfs/dbraw/zinc/60/72/09/828607209.db2.gz ZKZXSVCVPTZUOI-RKDXNWHRSA-N 0 1 287.316 -0.613 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC1 ZINC001284521653 828608307 /nfs/dbraw/zinc/60/83/07/828608307.db2.gz FWKKJEFAFCJPFB-RKDXNWHRSA-N 0 1 255.274 -0.364 20 5 CBBDMN COC(=O)[C@]1(O)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001197266330 824185692 /nfs/dbraw/zinc/18/56/92/824185692.db2.gz WVQUWEQNZHWCHV-LBPRGKRZSA-N 0 1 298.299 -0.290 20 5 CBBDMN NC(=O)CN(CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC001197384678 824188971 /nfs/dbraw/zinc/18/89/71/824188971.db2.gz LJEDKPFJKAFJMI-UHFFFAOYSA-N 0 1 297.315 -0.242 20 5 CBBDMN CC(F)(F)C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284950243 828635725 /nfs/dbraw/zinc/63/57/25/828635725.db2.gz PNXKOBNGTPEXAE-HTQZYQBOSA-N 0 1 291.254 -0.119 20 5 CBBDMN CCCOCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284955232 828636857 /nfs/dbraw/zinc/63/68/57/828636857.db2.gz GCONQGJHIZWBQA-GHMZBOCLSA-N 0 1 299.327 -0.347 20 5 CBBDMN C[C@@H](C[N+](C)(C)C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234472813 825469054 /nfs/dbraw/zinc/46/90/54/825469054.db2.gz ZPHNHCZTPSCSOU-ZETCQYMHSA-O 0 1 255.298 -0.245 20 5 CBBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)C(N)=O ZINC001254540059 825965910 /nfs/dbraw/zinc/96/59/10/825965910.db2.gz OWJYAWYKRMKMQS-SCZZXKLOSA-N 0 1 267.285 -0.038 20 5 CBBDMN Cn1ccc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001258291892 826060292 /nfs/dbraw/zinc/06/02/92/826060292.db2.gz HZKAAYJXKJSMEV-VXGBXAGGSA-N 0 1 293.327 -0.271 20 5 CBBDMN Cc1noc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001261281654 826503885 /nfs/dbraw/zinc/50/38/85/826503885.db2.gz GPZKASIONUECPW-NXEZZACHSA-N 0 1 295.299 -0.313 20 5 CBBDMN CN(CCNC(=O)c1ncn[nH]1)c1ncccc1[N+](=O)[O-] ZINC001263679790 826771490 /nfs/dbraw/zinc/77/14/90/826771490.db2.gz WPADXWXUUIBACF-UHFFFAOYSA-N 0 1 291.271 -0.026 20 5 CBBDMN CN(CCNC(=O)c1nc[nH]n1)c1ncccc1[N+](=O)[O-] ZINC001263679790 826771495 /nfs/dbraw/zinc/77/14/95/826771495.db2.gz WPADXWXUUIBACF-UHFFFAOYSA-N 0 1 291.271 -0.026 20 5 CBBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnc(C)o1 ZINC001267241123 827137277 /nfs/dbraw/zinc/13/72/77/827137277.db2.gz KMFCJDIAEZYJEG-NXEZZACHSA-N 0 1 297.315 -0.019 20 5 CBBDMN NC(=O)C(=O)NC/C=C/CNCc1cccc([N+](=O)[O-])c1 ZINC001274325012 827984094 /nfs/dbraw/zinc/98/40/94/827984094.db2.gz IWZHIKRSVYVGHT-OWOJBTEDSA-N 0 1 292.295 -0.158 20 5 CBBDMN CCS(=O)(=O)C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001341403153 889589337 /nfs/dbraw/zinc/58/93/37/889589337.db2.gz AZLVJLKEPKDLMG-LURJTMIESA-N 0 1 290.301 -0.129 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2nnc[nH]2)c1 ZINC001188628133 884726605 /nfs/dbraw/zinc/72/66/05/884726605.db2.gz UXBVJZWXBVXOCS-UHFFFAOYSA-N 0 1 279.212 -0.291 20 5 CBBDMN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C1(O)CNC1 ZINC001327602273 885426968 /nfs/dbraw/zinc/42/69/68/885426968.db2.gz XJUYKWPKILPRRH-UHFFFAOYSA-N 0 1 263.253 -0.229 20 5 CBBDMN CN1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001331694014 886913871 /nfs/dbraw/zinc/91/38/71/886913871.db2.gz HFEQSBWSYOANKC-SNVBAGLBSA-N 0 1 294.311 -0.033 20 5 CBBDMN C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1C ZINC001332477414 887307699 /nfs/dbraw/zinc/30/76/99/887307699.db2.gz KDFPVPVWZOHNPX-UWVGGRQHSA-N 0 1 294.311 -0.035 20 5 CBBDMN CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](CO)C1 ZINC001333040298 887508704 /nfs/dbraw/zinc/50/87/04/887508704.db2.gz XCAHIHXAFXXVQH-SNVBAGLBSA-N 0 1 269.305 -0.600 20 5 CBBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])S(C)(=O)=O ZINC001336532539 888789225 /nfs/dbraw/zinc/78/92/25/888789225.db2.gz UOTLSIRPZLKYJC-RXMQYKEDSA-N 0 1 276.274 -0.519 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC001342931661 889845439 /nfs/dbraw/zinc/84/54/39/889845439.db2.gz JHFWPBKJFGKKCQ-BQBZGAKWSA-N 0 1 270.245 -0.806 20 5 CBBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001350847558 891056467 /nfs/dbraw/zinc/05/64/67/891056467.db2.gz PUOGBBVGWHOIDP-ZJUUUORDSA-N 0 1 286.288 -0.053 20 5 CBBDMN C[C@@H](O)[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001457861049 914582699 /nfs/dbraw/zinc/58/26/99/914582699.db2.gz ZNHOARUZFURKGH-LHLIQPBNSA-N 0 1 270.241 -0.228 20 5 CBBDMN Cc1[nH][nH]c(=O)c1Sc1ncc([N+](=O)[O-])c(N)n1 ZINC001459098331 914705165 /nfs/dbraw/zinc/70/51/65/914705165.db2.gz PNJNISPGFROYIO-YFKPBYRVSA-N 0 1 268.258 -0.067 20 5 CBBDMN COCCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506049162 921530607 /nfs/dbraw/zinc/53/06/07/921530607.db2.gz QNLVNYXTZFKXOV-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN O=C(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ncc[nH]1 ZINC001468768701 915324604 /nfs/dbraw/zinc/32/46/04/915324604.db2.gz JPDXYXHJMQRJGY-RNFRBKRXSA-N 0 1 267.245 -0.480 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2nc[nH]n2)CC1 ZINC001469574662 915416176 /nfs/dbraw/zinc/41/61/76/915416176.db2.gz UMZBRKJVPVVVAU-HTQZYQBOSA-N 0 1 266.261 -0.882 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3nn[nH]n3)C2)n1 ZINC001471459533 915587443 /nfs/dbraw/zinc/58/74/43/915587443.db2.gz GTUVCQFCAWMFHS-LURJTMIESA-N 0 1 292.259 -0.529 20 5 CBBDMN COC(=O)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC001472401883 915732864 /nfs/dbraw/zinc/73/28/64/915732864.db2.gz VNYISTWKGDJWBB-QCLAVDOMSA-N 0 1 286.284 -0.407 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C(N)=O)C1 ZINC001473585358 915835924 /nfs/dbraw/zinc/83/59/24/915835924.db2.gz RUGOBZFWLCMNPC-UHFFFAOYSA-N 0 1 267.289 -0.093 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC/C=C/CO ZINC001475481806 915940982 /nfs/dbraw/zinc/94/09/82/915940982.db2.gz LUPBSNAZXRQFFY-OWOJBTEDSA-N 0 1 273.270 -0.183 20 5 CBBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001481272432 916797652 /nfs/dbraw/zinc/79/76/52/916797652.db2.gz CMWDOMGVUSNAFV-UHFFFAOYSA-N 0 1 280.284 -0.372 20 5 CBBDMN CCn1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001491189267 919072101 /nfs/dbraw/zinc/07/21/01/919072101.db2.gz ZHSORJSNYNKLJN-NXEZZACHSA-N 0 1 295.299 -0.586 20 5 CBBDMN CC(C)(O)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491255123 919094339 /nfs/dbraw/zinc/09/43/39/919094339.db2.gz AFCQSJOXRROODC-HTQZYQBOSA-N 0 1 273.289 -0.955 20 5 CBBDMN Cc1nc(C)c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001491282678 919104817 /nfs/dbraw/zinc/10/48/17/919104817.db2.gz JRDXHQAYSZMIJE-RKDXNWHRSA-N 0 1 295.299 -0.462 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nn1 ZINC001492250449 919378688 /nfs/dbraw/zinc/37/86/88/919378688.db2.gz WCQHTIKGDBRDJR-NXEZZACHSA-N 0 1 282.304 -0.972 20 5 CBBDMN O=C(NC/C=C\CNCc1cnsn1)[C@@H]1CC1[N+](=O)[O-] ZINC001497585138 920343987 /nfs/dbraw/zinc/34/39/87/920343987.db2.gz SZFTXZIJACIIHY-BSANDHCLSA-N 0 1 297.340 -0.035 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CN2CCC1CC2 ZINC001514747974 922214531 /nfs/dbraw/zinc/21/45/31/922214531.db2.gz KXBVOQCTYIRAOC-VIFPVBQESA-N 0 1 280.288 -0.603 20 5 CBBDMN CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001518149980 922262201 /nfs/dbraw/zinc/26/22/01/922262201.db2.gz UNCOIMSEKMDWNC-IWSPIJDZSA-N 0 1 291.329 -0.951 20 5 CBBDMN COC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001520035993 922295790 /nfs/dbraw/zinc/29/57/90/922295790.db2.gz IHHPOOAWQFUJOT-RKDXNWHRSA-N 0 1 258.274 -0.037 20 5 CBBDMN CN(C(=O)CC(C)(C)O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001536346831 923210462 /nfs/dbraw/zinc/21/04/62/923210462.db2.gz ZGIRHVANXIQSGX-NXEZZACHSA-N 0 1 299.327 -0.518 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001556619411 924067884 /nfs/dbraw/zinc/06/78/84/924067884.db2.gz NAGMNVHFTKLDDT-RGOKHQFPSA-N 0 1 288.325 -0.170 20 5 CBBDMN CN=[S@@](C)(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001557677618 924125564 /nfs/dbraw/zinc/12/55/64/924125564.db2.gz PIFUXDOGJCKKLX-SFHVURJKSA-N 0 1 275.290 -0.225 20 5 CBBDMN O=C(NC[C@@H](O)c1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC001557776435 924136082 /nfs/dbraw/zinc/13/60/82/924136082.db2.gz SJIBLFGVBVLHHU-OPRDCNLKSA-N 0 1 251.242 -0.104 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)NC12CCN(CC1)C2 ZINC001557915973 924140376 /nfs/dbraw/zinc/14/03/76/924140376.db2.gz OMZOIVXCLRDRNM-UHFFFAOYSA-N 0 1 266.261 -0.849 20 5 CBBDMN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001558006029 924142698 /nfs/dbraw/zinc/14/26/98/924142698.db2.gz RIYFIRWVQOPHQK-RNFRBKRXSA-N 0 1 298.255 -0.625 20 5 CBBDMN Cc1nc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001558695056 924194067 /nfs/dbraw/zinc/19/40/67/924194067.db2.gz LCARCIVXJSDZMR-UHFFFAOYSA-N 0 1 279.260 -0.076 20 5 CBBDMN C[C@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000125768280 187199635 /nfs/dbraw/zinc/19/96/35/187199635.db2.gz TVLCSNSNACEFLJ-QMMMGPOBSA-N 0 1 253.262 -0.388 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]nnc2C1 ZINC000351010569 219074143 /nfs/dbraw/zinc/07/41/43/219074143.db2.gz QZGVKUBJASEGFP-UHFFFAOYSA-N 0 1 289.255 -0.111 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2c[nH]nn2)c1 ZINC000352152973 219339217 /nfs/dbraw/zinc/33/92/17/219339217.db2.gz KGRWMKGVTQNHNJ-UHFFFAOYSA-N 0 1 279.212 -0.291 20 5 CBBDMN C[C@@H](NC(=O)CNC(=O)CN)c1cccc([N+](=O)[O-])c1 ZINC000037766599 351404529 /nfs/dbraw/zinc/40/45/29/351404529.db2.gz MRLPAEPQMPEZRP-MRVPVSSYSA-N 0 1 280.284 -0.153 20 5 CBBDMN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000047296157 351459439 /nfs/dbraw/zinc/45/94/39/351459439.db2.gz KSDXDMFWTWWSAT-HTQZYQBOSA-N 0 1 296.283 -0.063 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000037921095 351411676 /nfs/dbraw/zinc/41/16/76/351411676.db2.gz KIPMJDAHSVUKHI-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](N2CCNC2=O)C1 ZINC000049486696 351492994 /nfs/dbraw/zinc/49/29/94/351492994.db2.gz BJOKRZCEPZOAKC-AEJSXWLSSA-N 0 1 282.300 -0.332 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000080943209 351701713 /nfs/dbraw/zinc/70/17/13/351701713.db2.gz DXWLFOXXAMDUBC-TUAOUCFPSA-N 0 1 283.328 -0.025 20 5 CBBDMN CN(C)C1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000134894327 351909456 /nfs/dbraw/zinc/90/94/56/351909456.db2.gz NCIXWQNNKCKKFW-UHFFFAOYSA-N 0 1 280.284 -0.471 20 5 CBBDMN CN(C)C1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000135017065 351911299 /nfs/dbraw/zinc/91/12/99/351911299.db2.gz DRGOMPLODFQPNY-UHFFFAOYSA-N 0 1 253.262 -0.436 20 5 CBBDMN CNC(=O)[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173563629 352039882 /nfs/dbraw/zinc/03/98/82/352039882.db2.gz CZVQRAWAACHZFR-WDEREUQCSA-N 0 1 297.315 -0.637 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000192500600 352197581 /nfs/dbraw/zinc/19/75/81/352197581.db2.gz ZJDRKCKXCYWYHH-LURJTMIESA-N 0 1 281.272 -0.159 20 5 CBBDMN NCC(=O)NCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000187598886 352139505 /nfs/dbraw/zinc/13/95/05/352139505.db2.gz YVWXCJTXGUAQPO-UHFFFAOYSA-N 0 1 278.268 -0.441 20 5 CBBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000187703640 352142315 /nfs/dbraw/zinc/14/23/15/352142315.db2.gz BIWIUKLRDHSINK-NSHDSACASA-N 0 1 283.332 -0.210 20 5 CBBDMN C[C@@H]1CNCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000262055706 352405605 /nfs/dbraw/zinc/40/56/05/352405605.db2.gz XFZHQKXDUMTESF-SSDOTTSWSA-N 0 1 254.250 -0.993 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](O)CO)c1[N+](=O)[O-] ZINC000278387575 352580049 /nfs/dbraw/zinc/58/00/49/352580049.db2.gz JPRGIYGELSPEFY-LURJTMIESA-N 0 1 272.261 -0.695 20 5 CBBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000311530847 352768410 /nfs/dbraw/zinc/76/84/10/352768410.db2.gz FMRHKJAZAGFYFN-YFKPBYRVSA-N 0 1 291.260 -0.114 20 5 CBBDMN NC(=O)[C@@]1(O)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339119506 353132044 /nfs/dbraw/zinc/13/20/44/353132044.db2.gz RVCKNPHDMXTGCB-GFCCVEGCSA-N 0 1 281.268 -0.278 20 5 CBBDMN NC(=O)[C@@]1(O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339119506 353132046 /nfs/dbraw/zinc/13/20/46/353132046.db2.gz RVCKNPHDMXTGCB-GFCCVEGCSA-N 0 1 281.268 -0.278 20 5 CBBDMN NC(=O)N[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342868749 353237516 /nfs/dbraw/zinc/23/75/16/353237516.db2.gz QSGLHYPHHVPZJL-QMMMGPOBSA-N 0 1 268.277 -0.466 20 5 CBBDMN C[C@H]1COCCN1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343684180 353284511 /nfs/dbraw/zinc/28/45/11/353284511.db2.gz CFLJYJNDUHBKQR-QMMMGPOBSA-N 0 1 283.288 -0.232 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1COC[C@@H]1O ZINC000352801304 353506402 /nfs/dbraw/zinc/50/64/02/353506402.db2.gz JVAKOYWVQAIGFC-MNOVXSKESA-N 0 1 283.284 -0.552 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CC[NH2+]C)c([N+](=O)[O-])n1 ZINC000353218979 353529068 /nfs/dbraw/zinc/52/90/68/353529068.db2.gz QLCZXPXJDJNJBW-UHFFFAOYSA-N 0 1 277.306 -0.691 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)C[C@H](O)CO)c1[N+](=O)[O-] ZINC000353976930 353536818 /nfs/dbraw/zinc/53/68/18/353536818.db2.gz SGKAHFWYMVKLBP-LURJTMIESA-N 0 1 258.234 -0.948 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000354061268 353540742 /nfs/dbraw/zinc/54/07/42/353540742.db2.gz NCEJJZMGUZLFLO-ZETCQYMHSA-N 0 1 281.272 -0.036 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000354491706 353563427 /nfs/dbraw/zinc/56/34/27/353563427.db2.gz AXZKFBQFNCRKKF-UHFFFAOYSA-N 0 1 279.260 -0.423 20 5 CBBDMN NC(=O)Cn1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000354526335 353565592 /nfs/dbraw/zinc/56/55/92/353565592.db2.gz MXLVRHLBIKRCBR-UHFFFAOYSA-N 0 1 263.217 -0.190 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](COC)C(N)=O)c1[N+](=O)[O-] ZINC000354558871 353567754 /nfs/dbraw/zinc/56/77/54/353567754.db2.gz YXXWOTYNRPCVQF-ZETCQYMHSA-N 0 1 299.287 -0.547 20 5 CBBDMN Cc1n[n-]c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358060112 353623058 /nfs/dbraw/zinc/62/30/58/353623058.db2.gz DVIHCUAUPFOCSG-LLVKDONJSA-N 0 1 283.288 -0.577 20 5 CBBDMN Cc1n[n-]c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358060112 353623061 /nfs/dbraw/zinc/62/30/61/353623061.db2.gz DVIHCUAUPFOCSG-LLVKDONJSA-N 0 1 283.288 -0.577 20 5 CBBDMN COCCN1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357900321 353612785 /nfs/dbraw/zinc/61/27/85/353612785.db2.gz VEBIYIYHIUWOCR-SECBINFHSA-N 0 1 297.315 -0.221 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)OC[C@@H]2C1 ZINC000371992108 353708587 /nfs/dbraw/zinc/70/85/87/353708587.db2.gz NSHUTKWPZINBOU-XLPZGREQSA-N 0 1 255.230 -0.685 20 5 CBBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372709494 353721004 /nfs/dbraw/zinc/72/10/04/353721004.db2.gz AZSFLZWHIKBMNR-SPFKKGSWSA-N 0 1 267.285 -0.236 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000375298905 353757717 /nfs/dbraw/zinc/75/77/17/353757717.db2.gz XTKQMDRYKUNPSA-RKDXNWHRSA-N 0 1 253.258 -0.611 20 5 CBBDMN O=C(NCc1nnc2n1CCOC2)[C@H]1CC1[N+](=O)[O-] ZINC000375460104 353760834 /nfs/dbraw/zinc/76/08/34/353760834.db2.gz VFSNCIBSDFHVHT-BQBZGAKWSA-N 0 1 267.245 -0.910 20 5 CBBDMN O=C(NCc1nnc2n1CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC000375460106 353761266 /nfs/dbraw/zinc/76/12/66/353761266.db2.gz VFSNCIBSDFHVHT-RNFRBKRXSA-N 0 1 267.245 -0.910 20 5 CBBDMN Cc1nc2n(n1)CCN(C(=O)[C@H]1CC1[N+](=O)[O-])C2 ZINC000377963117 353779620 /nfs/dbraw/zinc/77/96/20/353779620.db2.gz NPSGVMWWUKJETI-JGVFFNPUSA-N 0 1 251.246 -0.406 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374115965 353741228 /nfs/dbraw/zinc/74/12/28/353741228.db2.gz VGKULFRSMYXPPS-FNCVBFRFSA-N 0 1 253.258 -0.611 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374115968 353741327 /nfs/dbraw/zinc/74/13/27/353741327.db2.gz VGKULFRSMYXPPS-RYPBNFRJSA-N 0 1 253.258 -0.611 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000408071592 353844093 /nfs/dbraw/zinc/84/40/93/353844093.db2.gz OBBLRIXXDNAFCG-IUCAKERBSA-N 0 1 282.304 -0.263 20 5 CBBDMN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451289438 354335829 /nfs/dbraw/zinc/33/58/29/354335829.db2.gz WDGSRGJFHBFCJQ-NSHDSACASA-N 0 1 270.289 -0.127 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc[nH]n2)c1 ZINC000566107672 354752318 /nfs/dbraw/zinc/75/23/18/354752318.db2.gz PLYVDKUPPRNMNY-JTQLQIEISA-N 0 1 266.261 -0.335 20 5 CBBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000585682912 355049198 /nfs/dbraw/zinc/04/91/98/355049198.db2.gz XHLNLYHZTSTMFQ-SECBINFHSA-N 0 1 294.315 -0.562 20 5 CBBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592549924 355161902 /nfs/dbraw/zinc/16/19/02/355161902.db2.gz PTVKUHSMENWCLY-SNVBAGLBSA-N 0 1 296.283 -0.100 20 5 CBBDMN O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592290200 355146621 /nfs/dbraw/zinc/14/66/21/355146621.db2.gz YQWZJBWJODBIGE-LURJTMIESA-N 0 1 252.230 -0.213 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593509103 355207736 /nfs/dbraw/zinc/20/77/36/355207736.db2.gz SIJFNLKVCOESAB-UHFFFAOYSA-N 0 1 292.303 -0.231 20 5 CBBDMN O=[N+]([O-])c1cnc(N2CCN(Cc3nnc[nH]3)CC2)nc1 ZINC000593509752 355207806 /nfs/dbraw/zinc/20/78/06/355207806.db2.gz ZRFMDPGJPQONHU-UHFFFAOYSA-N 0 1 290.287 -0.175 20 5 CBBDMN CCN1C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000593826162 355222345 /nfs/dbraw/zinc/22/23/45/355222345.db2.gz ULKSNQRSMSFAFO-SSDOTTSWSA-N 0 1 281.272 -0.084 20 5 CBBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594392723 355245545 /nfs/dbraw/zinc/24/55/45/355245545.db2.gz KBKZUQIROZYZHM-JGVFFNPUSA-N 0 1 281.272 -0.791 20 5 CBBDMN CN1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594751332 355260149 /nfs/dbraw/zinc/26/01/49/355260149.db2.gz UDWNWIKWDNQLJQ-MRVPVSSYSA-N 0 1 286.313 -0.028 20 5 CBBDMN NC(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594747992 355260555 /nfs/dbraw/zinc/26/05/55/355260555.db2.gz HLJSBWCIKINHBI-UHFFFAOYSA-N 0 1 274.258 -0.857 20 5 CBBDMN C[C@@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761154 355261251 /nfs/dbraw/zinc/26/12/51/355261251.db2.gz GVKMYGDEMJXYIL-ZCFIWIBFSA-N 0 1 261.259 -0.351 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCOCCO ZINC000594761828 355261369 /nfs/dbraw/zinc/26/13/69/355261369.db2.gz JXAYLVATAGOKEF-UHFFFAOYSA-N 0 1 291.285 -0.723 20 5 CBBDMN C[N@H+](Cc1n[n-]c(=O)o1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595547007 355294191 /nfs/dbraw/zinc/29/41/91/355294191.db2.gz KZVCOMYKXPMOFB-MRVPVSSYSA-N 0 1 298.259 -0.627 20 5 CBBDMN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595784379 355306969 /nfs/dbraw/zinc/30/69/69/355306969.db2.gz TUXYYUXVZZEBSL-NSHDSACASA-N 0 1 297.315 -0.684 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1(CO)CC1 ZINC000595317820 355282077 /nfs/dbraw/zinc/28/20/77/355282077.db2.gz FLLAIGARPQKZSZ-UHFFFAOYSA-N 0 1 273.270 -0.207 20 5 CBBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000597627421 355402062 /nfs/dbraw/zinc/40/20/62/355402062.db2.gz ZQONSAZEAWRXJA-SECBINFHSA-N 0 1 294.315 -0.562 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N2CC(O)(CO)C2)c1[N+](=O)[O-] ZINC000597703301 355410288 /nfs/dbraw/zinc/41/02/88/355410288.db2.gz UHPGEGZHMDOZPL-UHFFFAOYSA-N 0 1 284.272 -0.380 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598162018 355433495 /nfs/dbraw/zinc/43/34/95/355433495.db2.gz GJYFXKLKIUVUDH-UHFFFAOYSA-N 0 1 294.311 -0.224 20 5 CBBDMN CC[NH2+]CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097070 355463479 /nfs/dbraw/zinc/46/34/79/355463479.db2.gz FEWUQUKSMPEEIB-UHFFFAOYSA-N 0 1 277.306 -0.784 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[NH3+])C2CC2)n1 ZINC000599096907 355463820 /nfs/dbraw/zinc/46/38/20/355463820.db2.gz AYGHZJISBPBBSY-SSDOTTSWSA-N 0 1 289.317 -0.656 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)n1 ZINC000599101519 355464491 /nfs/dbraw/zinc/46/44/91/355464491.db2.gz QMTUPKCBCPHAPM-VIFPVBQESA-N 0 1 289.317 -0.641 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCOCC2)n1 ZINC000599218290 355472952 /nfs/dbraw/zinc/47/29/52/355472952.db2.gz BUHBZWLLANDIFF-UHFFFAOYSA-N 0 1 290.301 -0.214 20 5 CBBDMN C[C@H](CO)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599241220 355473966 /nfs/dbraw/zinc/47/39/66/355473966.db2.gz OCDWQTDNEPYQSN-RQJHMYQMSA-N 0 1 292.317 -0.377 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(O)CCC2)n1 ZINC000599246224 355474088 /nfs/dbraw/zinc/47/40/88/355474088.db2.gz ZLAWPLZMMSJFPU-UHFFFAOYSA-N 0 1 290.301 -0.478 20 5 CBBDMN C[C@H](CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599243619 355474137 /nfs/dbraw/zinc/47/41/37/355474137.db2.gz HDAFEHJVIVHDAD-LURJTMIESA-N 0 1 278.290 -0.765 20 5 CBBDMN COCC1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599261560 355474896 /nfs/dbraw/zinc/47/48/96/355474896.db2.gz RSVUEGZENHPERE-UHFFFAOYSA-N 0 1 290.301 -0.214 20 5 CBBDMN C[C@H](CCO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599254486 355474912 /nfs/dbraw/zinc/47/49/12/355474912.db2.gz SNDXBDTZRHYMPV-SSDOTTSWSA-N 0 1 292.317 -0.375 20 5 CBBDMN C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599272313 355475672 /nfs/dbraw/zinc/47/56/72/355475672.db2.gz RSNLXWRIMVBQLS-RNFRBKRXSA-N 0 1 292.317 -0.234 20 5 CBBDMN C[C@@H](O)C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599272312 355475770 /nfs/dbraw/zinc/47/57/70/355475770.db2.gz RSNLXWRIMVBQLS-NKWVEPMBSA-N 0 1 292.317 -0.234 20 5 CBBDMN CCC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599278310 355475951 /nfs/dbraw/zinc/47/59/51/355475951.db2.gz DOEGMYCKEVMJEK-UHFFFAOYSA-N 0 1 276.274 -0.414 20 5 CBBDMN CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)O ZINC000599322203 355479566 /nfs/dbraw/zinc/47/95/66/355479566.db2.gz OWPVXTAFFJPNRL-NKWVEPMBSA-N 0 1 292.317 -0.234 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2O)n1 ZINC000599324762 355480002 /nfs/dbraw/zinc/48/00/02/355480002.db2.gz WXGPERFAYRLWJL-HTRCEHHLSA-N 0 1 290.301 -0.480 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)n1 ZINC000599328206 355481297 /nfs/dbraw/zinc/48/12/97/355481297.db2.gz NYZMZWPJRRPTCC-KZCWHLCOSA-N 0 1 290.301 -0.480 20 5 CBBDMN COC(=O)COCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600395126 355541373 /nfs/dbraw/zinc/54/13/73/355541373.db2.gz FIKSJHHOSPVLES-UHFFFAOYSA-N 0 1 272.217 -0.763 20 5 CBBDMN CCc1n[nH]c(C(=O)NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600806790 355566539 /nfs/dbraw/zinc/56/65/39/355566539.db2.gz GEBAQHCHRCPPNB-QMMMGPOBSA-N 0 1 297.315 -0.323 20 5 CBBDMN C[C@H](O)CN1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602463462 355652275 /nfs/dbraw/zinc/65/22/75/355652275.db2.gz VETWAWQVKLGHEB-JTQLQIEISA-N 0 1 283.332 -0.173 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000610241206 355776301 /nfs/dbraw/zinc/77/63/01/355776301.db2.gz AXIJDCZZDKSEEF-LURJTMIESA-N 0 1 281.272 -0.023 20 5 CBBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1c[nH]nn1 ZINC000610663306 355784040 /nfs/dbraw/zinc/78/40/40/355784040.db2.gz MSAFWMBVXNZFSS-UHFFFAOYSA-N 0 1 263.217 -0.181 20 5 CBBDMN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000610892208 355789019 /nfs/dbraw/zinc/78/90/19/355789019.db2.gz KWWTXXOKQAFZJI-QMMMGPOBSA-N 0 1 255.278 -0.142 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000179180190 189174782 /nfs/dbraw/zinc/17/47/82/189174782.db2.gz LBNFFWFBRZETRG-MRVPVSSYSA-N 0 1 253.262 -0.388 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000342299768 216299364 /nfs/dbraw/zinc/29/93/64/216299364.db2.gz BVDGXMHVXYQBSK-JGVFFNPUSA-N 0 1 284.272 -0.288 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000330606020 203030162 /nfs/dbraw/zinc/03/01/62/203030162.db2.gz NDNTUPRLDIKEPA-UHFFFAOYSA-N 0 1 269.261 -0.213 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC1 ZINC000337326040 214007739 /nfs/dbraw/zinc/00/77/39/214007739.db2.gz VQUQMUAKEPMPNR-UHFFFAOYSA-N 0 1 267.289 -0.078 20 5 CBBDMN O=C(NC[C@H](O)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000344063763 217033691 /nfs/dbraw/zinc/03/36/91/217033691.db2.gz QPALHYOFSZFJQU-BYPYZUCNSA-N 0 1 268.151 -0.029 20 5 CBBDMN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000361775029 373335864 /nfs/dbraw/zinc/33/58/64/373335864.db2.gz NFSKCCUAOBTDIV-OPRDCNLKSA-N 0 1 286.284 -0.310 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2=O)cn1 ZINC000363601242 373500764 /nfs/dbraw/zinc/50/07/64/373500764.db2.gz UZRIUPCQTYCNIY-ZJUUUORDSA-N 0 1 293.283 -0.740 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000363595179 373501047 /nfs/dbraw/zinc/50/10/47/373501047.db2.gz LZSSZGLCSCEOLQ-RNJXMRFFSA-N 0 1 267.241 -0.942 20 5 CBBDMN C[C@]1(C(N)=O)CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363819217 373512351 /nfs/dbraw/zinc/51/23/51/373512351.db2.gz HIOALMDWICUKKP-VHSKPIJISA-N 0 1 255.274 -0.092 20 5 CBBDMN Cn1cc([C@H](CO)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000494803998 373743544 /nfs/dbraw/zinc/74/35/44/373743544.db2.gz ABKQHVXUTRAURO-JTQLQIEISA-N 0 1 280.288 -0.152 20 5 CBBDMN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000583752723 374365344 /nfs/dbraw/zinc/36/53/44/374365344.db2.gz ZUCUZBJYNSMJHQ-SSDOTTSWSA-N 0 1 291.333 -0.173 20 5 CBBDMN NCC(=O)NCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262343810 190053353 /nfs/dbraw/zinc/05/33/53/190053353.db2.gz CZMXCOMGTVWSMU-UHFFFAOYSA-N 0 1 280.284 -0.672 20 5 CBBDMN Nc1nc(N2CCCN(CCO)CC2)ncc1[N+](=O)[O-] ZINC000264181397 190094540 /nfs/dbraw/zinc/09/45/40/190094540.db2.gz YVGFAVREJBTSOA-UHFFFAOYSA-N 0 1 282.304 -0.529 20 5 CBBDMN COC(=O)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264277071 190101185 /nfs/dbraw/zinc/10/11/85/190101185.db2.gz MZUJKRCKSVAGGL-UHFFFAOYSA-N 0 1 256.218 -0.129 20 5 CBBDMN C[C@](O)(CO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355292427 248177728 /nfs/dbraw/zinc/17/77/28/248177728.db2.gz QVSWROMVOXHNAN-GFCCVEGCSA-N 0 1 294.267 -0.056 20 5 CBBDMN NC(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356332560 248235470 /nfs/dbraw/zinc/23/54/70/248235470.db2.gz YUDRKKHEQZMQJX-UHFFFAOYSA-N 0 1 253.214 -0.094 20 5 CBBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000356870083 248296135 /nfs/dbraw/zinc/29/61/35/248296135.db2.gz CXQPOMRPSYSSIA-RKDXNWHRSA-N 0 1 282.304 -0.263 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)N1 ZINC000154087095 207382122 /nfs/dbraw/zinc/38/21/22/207382122.db2.gz JDYBFYGBYUACHU-UWVGGRQHSA-N 0 1 294.311 -0.035 20 5 CBBDMN C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000353804422 220338855 /nfs/dbraw/zinc/33/88/55/220338855.db2.gz ZHKKNGBZAGMPNG-SSDOTTSWSA-N 0 1 294.275 -0.030 20 5 CBBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1nnc[nH]1 ZINC000285488086 196300924 /nfs/dbraw/zinc/30/09/24/196300924.db2.gz ADXVDNGKEPQTEQ-BYPYZUCNSA-N 0 1 251.206 -0.073 20 5 CBBDMN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285678935 196364679 /nfs/dbraw/zinc/36/46/79/196364679.db2.gz ZVGPCGUTWPMTNV-UHFFFAOYSA-N 0 1 282.304 -0.705 20 5 CBBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCc1nn[nH]n1 ZINC000044927173 419433174 /nfs/dbraw/zinc/43/31/74/419433174.db2.gz OSHXELPMVWTVOS-UHFFFAOYSA-N 0 1 262.229 -0.033 20 5 CBBDMN C[C@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000189347555 419527689 /nfs/dbraw/zinc/52/76/89/419527689.db2.gz LLWFTHMDOWGDKD-NSHDSACASA-N 0 1 283.332 -0.210 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000364163862 420032773 /nfs/dbraw/zinc/03/27/73/420032773.db2.gz ARPMVAQJAALVLC-SOCHQFKDSA-N 0 1 253.258 -0.610 20 5 CBBDMN Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000364301128 420033842 /nfs/dbraw/zinc/03/38/42/420033842.db2.gz CPYRMIQESVANAL-HLTSFMKQSA-N 0 1 282.256 -0.057 20 5 CBBDMN O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364351630 420037822 /nfs/dbraw/zinc/03/78/22/420037822.db2.gz BCWKRMMTAYMWMN-IWSPIJDZSA-N 0 1 250.258 -0.021 20 5 CBBDMN O=C(NC1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC000364492186 420039442 /nfs/dbraw/zinc/03/94/42/420039442.db2.gz FSVZYNMLCGEUAQ-VHSXEESVSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]12CCOC2=O ZINC000364449546 420039502 /nfs/dbraw/zinc/03/95/02/420039502.db2.gz VESWVXVPZKFKQD-FYBVGQRMSA-N 0 1 254.242 -0.040 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)OCC[C@@H]2C1 ZINC000496851391 420331468 /nfs/dbraw/zinc/33/14/68/420331468.db2.gz HJEGPTSHKYKXOA-IWSPIJDZSA-N 0 1 269.257 -0.295 20 5 CBBDMN Cc1nnc2n1C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000377362627 230286646 /nfs/dbraw/zinc/28/66/46/230286646.db2.gz OVYLQWXQNRARPZ-IWSPIJDZSA-N 0 1 265.273 -0.317 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000378047635 230309471 /nfs/dbraw/zinc/30/94/71/230309471.db2.gz JNTURNGGRMIKPT-UWKFXHKCSA-N 0 1 297.311 -0.406 20 5 CBBDMN O=C1C[C@H](NCCO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570859721 327627897 /nfs/dbraw/zinc/62/78/97/327627897.db2.gz FPUMAARBZLHSCZ-JTQLQIEISA-N 0 1 279.252 -0.191 20 5 CBBDMN CN1C(=O)C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000563399855 328062240 /nfs/dbraw/zinc/06/22/40/328062240.db2.gz WNRSAOMVJDAYQO-VIFPVBQESA-N 0 1 293.235 -0.213 20 5 CBBDMN CO[C@H]1C[C@H](C(=O)[O-])[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000574697360 327366792 /nfs/dbraw/zinc/36/67/92/327366792.db2.gz RACPAJKPNWTRFX-VHSXEESVSA-N 0 1 284.272 -0.035 20 5 CBBDMN O=C(NCCN1CCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000582912183 329287435 /nfs/dbraw/zinc/28/74/35/329287435.db2.gz WMRQQKHLVQWYHS-UHFFFAOYSA-N 0 1 267.245 -0.330 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[NH2+]CC1 ZINC000581999720 336188057 /nfs/dbraw/zinc/18/80/57/336188057.db2.gz DZEYHTWEBLEBNG-UHFFFAOYSA-N 0 1 252.230 -0.259 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000377830222 534380459 /nfs/dbraw/zinc/38/04/59/534380459.db2.gz BVQHQYMTGJYAQS-WISYIIOYSA-N 0 1 283.328 -0.169 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)OCCc1c[nH]nn1 ZINC000735143304 582179438 /nfs/dbraw/zinc/17/94/38/582179438.db2.gz YXHUHAUNGVXROM-UHFFFAOYSA-N 0 1 266.217 -0.305 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)OCCc1cnn[nH]1 ZINC000735143304 582179439 /nfs/dbraw/zinc/17/94/39/582179439.db2.gz YXHUHAUNGVXROM-UHFFFAOYSA-N 0 1 266.217 -0.305 20 5 CBBDMN CCN(CC)C(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000763990509 582321770 /nfs/dbraw/zinc/32/17/70/582321770.db2.gz ABVGDYXIJGYXGL-UHFFFAOYSA-N 0 1 269.261 -0.084 20 5 CBBDMN Cc1nc(COC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000770641997 582339234 /nfs/dbraw/zinc/33/92/34/582339234.db2.gz BXUPUBGFEUYDIG-UHFFFAOYSA-N 0 1 266.217 -0.039 20 5 CBBDMN NC(=O)[C@]1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473210 582386138 /nfs/dbraw/zinc/38/61/38/582386138.db2.gz IDTPJSZXMPDCNK-AAEUAGOBSA-N 0 1 295.295 -0.450 20 5 CBBDMN CC1(C)COC(=O)[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000816583905 582477417 /nfs/dbraw/zinc/47/74/17/582477417.db2.gz WQJMYUIOSGNTQY-SSDOTTSWSA-N 0 1 268.229 -0.001 20 5 CBBDMN C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827443077 582816780 /nfs/dbraw/zinc/81/67/80/582816780.db2.gz YDRBSUDJFFMMPH-PSASIEDQSA-N 0 1 286.288 -0.195 20 5 CBBDMN C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828442044 582856121 /nfs/dbraw/zinc/85/61/21/582856121.db2.gz XCUXWYROEUFIOT-DVVUODLYSA-N 0 1 298.299 -0.195 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000832043244 583011071 /nfs/dbraw/zinc/01/10/71/583011071.db2.gz DDFADSAQOAXTHQ-AXTSPUMRSA-N 0 1 288.325 -0.455 20 5 CBBDMN O=C([O-])[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000833188898 583058566 /nfs/dbraw/zinc/05/85/66/583058566.db2.gz JTBLLPQIBMAMPA-MWLCHTKSSA-N 0 1 298.299 -0.051 20 5 CBBDMN CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839529803 583156378 /nfs/dbraw/zinc/15/63/78/583156378.db2.gz HVLZXOWBBHEDPJ-IWSPIJDZSA-N 0 1 255.274 -0.221 20 5 CBBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC000839454843 583156473 /nfs/dbraw/zinc/15/64/73/583156473.db2.gz BQZVUBARCFRNNH-NXEZZACHSA-N 0 1 271.317 -0.121 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000839680012 583157836 /nfs/dbraw/zinc/15/78/36/583157836.db2.gz CVWWOGJMQWWCIF-DJLDLDEBSA-N 0 1 278.330 -0.067 20 5 CBBDMN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839697580 583158069 /nfs/dbraw/zinc/15/80/69/583158069.db2.gz TWKGMPALEBYQTO-VVULQXIFSA-N 0 1 267.285 -0.223 20 5 CBBDMN C[C@@H](CO[C@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701651 583158151 /nfs/dbraw/zinc/15/81/51/583158151.db2.gz YONXEMAVWRAOQB-AXTSPUMRSA-N 0 1 258.274 -0.038 20 5 CBBDMN COC(=O)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839717199 583158491 /nfs/dbraw/zinc/15/84/91/583158491.db2.gz CBLQSRCVBNBKAG-GMTAPVOTSA-N 0 1 299.327 -0.253 20 5 CBBDMN CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839716658 583158516 /nfs/dbraw/zinc/15/85/16/583158516.db2.gz BUIHAPIGUOGMJW-HTQZYQBOSA-N 0 1 278.330 -0.067 20 5 CBBDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839731873 583158647 /nfs/dbraw/zinc/15/86/47/583158647.db2.gz AZSFLZWHIKBMNR-ZOZBQHSOSA-N 0 1 267.285 -0.236 20 5 CBBDMN O=C(NC1CC1)N[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839725705 583158676 /nfs/dbraw/zinc/15/86/76/583158676.db2.gz ISWOPQALMZMREA-OPRDCNLKSA-N 0 1 282.300 -0.286 20 5 CBBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839731871 583158727 /nfs/dbraw/zinc/15/87/27/583158727.db2.gz AZSFLZWHIKBMNR-OEZYJKACSA-N 0 1 267.285 -0.236 20 5 CBBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839731869 583158803 /nfs/dbraw/zinc/15/88/03/583158803.db2.gz AZSFLZWHIKBMNR-CHHOWFRJSA-N 0 1 267.285 -0.236 20 5 CBBDMN O=C(C1CC1)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839739701 583159081 /nfs/dbraw/zinc/15/90/81/583159081.db2.gz KYSQGAYZOPMEAI-BBBLOLIVSA-N 0 1 268.269 -0.142 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C[C@H]2CCCO2)CC1 ZINC000840242650 583163404 /nfs/dbraw/zinc/16/34/04/583163404.db2.gz ZWBBDQWKYVBBPM-IJLUTSLNSA-N 0 1 283.328 -0.025 20 5 CBBDMN COC(CN(CCCO)C(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000840423420 583164722 /nfs/dbraw/zinc/16/47/22/583164722.db2.gz BFWSBOMIFCPZHU-RKDXNWHRSA-N 0 1 276.289 -0.519 20 5 CBBDMN NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840404259 583164792 /nfs/dbraw/zinc/16/47/92/583164792.db2.gz YKJVAHWYLHNGCJ-IWSPIJDZSA-N 0 1 291.329 -0.679 20 5 CBBDMN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840404257 583164833 /nfs/dbraw/zinc/16/48/33/583164833.db2.gz YKJVAHWYLHNGCJ-DJLDLDEBSA-N 0 1 291.329 -0.679 20 5 CBBDMN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840427603 583164937 /nfs/dbraw/zinc/16/49/37/583164937.db2.gz GWISJGMSRKCERT-LURQLKTLSA-N 0 1 272.257 -0.824 20 5 CBBDMN COC(=O)C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840421059 583164953 /nfs/dbraw/zinc/16/49/53/583164953.db2.gz SQOGQYJBZFCMAF-SOCHQFKDSA-N 0 1 272.257 -0.510 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840440402 583165151 /nfs/dbraw/zinc/16/51/51/583165151.db2.gz AOFDDCQREUCMLS-OSMVPFSASA-N 0 1 260.221 -0.236 20 5 CBBDMN CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840475037 583165480 /nfs/dbraw/zinc/16/54/80/583165480.db2.gz RQIVFANPEVQLCJ-OPRDCNLKSA-N 0 1 284.316 -0.086 20 5 CBBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000840672002 583166278 /nfs/dbraw/zinc/16/62/78/583166278.db2.gz AMSMYOMAHUPQQW-UIISKDMLSA-N 0 1 285.256 -0.429 20 5 CBBDMN CCOC(=O)COCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673673 583166529 /nfs/dbraw/zinc/16/65/29/583166529.db2.gz XWJQPVNLCOZKOQ-HTQZYQBOSA-N 0 1 261.230 -0.226 20 5 CBBDMN CCn1nc(C)c(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840674083 583166602 /nfs/dbraw/zinc/16/66/02/583166602.db2.gz GKBUHHWFRGJGMA-HTQZYQBOSA-N 0 1 282.256 -0.002 20 5 CBBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000844040581 583246175 /nfs/dbraw/zinc/24/61/75/583246175.db2.gz MSGWLWFAMVVXGZ-KBVBSXBZSA-N 0 1 272.301 -0.055 20 5 CBBDMN COC(=O)[C@H]1C[C@H](O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000844114812 583252340 /nfs/dbraw/zinc/25/23/40/583252340.db2.gz LGQZKGNXFFNEKK-RBXMUDONSA-N 0 1 272.257 -0.966 20 5 CBBDMN Cn1[nH]c([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])nc1=N ZINC000846066229 583350867 /nfs/dbraw/zinc/35/08/67/583350867.db2.gz AWINJQGMHRKMMS-BWZBUEFSSA-N 0 1 280.288 -0.444 20 5 CBBDMN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000847279203 583401378 /nfs/dbraw/zinc/40/13/78/583401378.db2.gz ZOQZLHKXNAHZOW-IWSPIJDZSA-N 0 1 269.257 -0.249 20 5 CBBDMN CNC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849369447 583478106 /nfs/dbraw/zinc/47/81/06/583478106.db2.gz VALYUXJKCJLWTO-UHFFFAOYSA-N 0 1 274.258 -0.986 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nccc(N)n1 ZINC000854761574 583618459 /nfs/dbraw/zinc/61/84/59/583618459.db2.gz IMDHLMNVZQQVFE-RRKCRQDMSA-N 0 1 251.246 -0.099 20 5 CBBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC000855206374 583635181 /nfs/dbraw/zinc/63/51/81/583635181.db2.gz HBONQXFTNHJHBE-SGIHWFKDSA-N 0 1 258.274 -0.181 20 5 CBBDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1(=O)=O ZINC000855704341 583647888 /nfs/dbraw/zinc/64/78/88/583647888.db2.gz UPDXVUKFWVBZRG-BZNPZCIMSA-N 0 1 276.314 -0.267 20 5 CBBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000859455260 583721071 /nfs/dbraw/zinc/72/10/71/583721071.db2.gz AJOVJWJPFDTTKD-SRVKXCTJSA-N 0 1 268.269 -0.334 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)OCCN1CCC1 ZINC000861386462 583766787 /nfs/dbraw/zinc/76/67/87/583766787.db2.gz AFXHVRHLKPTNGA-UHFFFAOYSA-N 0 1 255.234 -0.565 20 5 CBBDMN CCn1nnc(C)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862080693 583799073 /nfs/dbraw/zinc/79/90/73/583799073.db2.gz KAVVMUAKGQJWRV-HTQZYQBOSA-N 0 1 253.262 -0.112 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000863293589 583836754 /nfs/dbraw/zinc/83/67/54/583836754.db2.gz UPDDWILYCYJMDV-BZNPZCIMSA-N 0 1 253.258 -0.469 20 5 CBBDMN CON(C)C(=O)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000863706508 583850805 /nfs/dbraw/zinc/85/08/05/583850805.db2.gz LBQFIZVLZIWSBJ-RXMQYKEDSA-N 0 1 271.233 -0.544 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](O)C1 ZINC000863832800 583859348 /nfs/dbraw/zinc/85/93/48/583859348.db2.gz FGBUOEXPMTVGOH-VIFPVBQESA-N 0 1 295.299 -0.632 20 5 CBBDMN CO[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000870528110 584015612 /nfs/dbraw/zinc/01/56/12/584015612.db2.gz VAGDUHGMUYIVPM-YSSBGUOXSA-N 0 1 258.274 -0.350 20 5 CBBDMN C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886812415 584446774 /nfs/dbraw/zinc/44/67/74/584446774.db2.gz OPZWARPOVHRBJL-DJLDLDEBSA-N 0 1 276.314 -0.313 20 5 CBBDMN Cn1nccc1[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000887588793 584470110 /nfs/dbraw/zinc/47/01/10/584470110.db2.gz SLAFJMFKMVHMDQ-FBIMIBRVSA-N 0 1 280.284 -0.015 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CN(C)CCN1C ZINC000892467664 584617047 /nfs/dbraw/zinc/61/70/47/584617047.db2.gz KCARCXMSNOFGQK-VIFPVBQESA-N 0 1 268.321 -0.014 20 5 CBBDMN CC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000967163098 613413183 /nfs/dbraw/zinc/41/31/83/613413183.db2.gz MHVYMLFQSUBWNR-VXGBXAGGSA-N 0 1 296.327 -0.974 20 5 CBBDMN CC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000967217054 613775236 /nfs/dbraw/zinc/77/52/36/613775236.db2.gz YBKXMFBLWWRCTK-VXGBXAGGSA-N 0 1 296.327 -0.974 20 5 CBBDMN CN(C(=O)C1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953469391 615793694 /nfs/dbraw/zinc/79/36/94/615793694.db2.gz CIWTZZVMBIIHLU-NXEZZACHSA-N 0 1 267.285 -0.269 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ncc[nH]2)C1 ZINC000954239725 615867382 /nfs/dbraw/zinc/86/73/82/615867382.db2.gz FHAHWTCZJAPSLE-RKDXNWHRSA-N 0 1 293.283 -0.642 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cnon2)C1 ZINC000954239845 615867480 /nfs/dbraw/zinc/86/74/80/615867480.db2.gz SEINKIHZAUWETD-VXNVDRBHSA-N 0 1 295.255 -0.982 20 5 CBBDMN CN(C(=O)c1ccn[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000953771223 615898563 /nfs/dbraw/zinc/89/85/63/615898563.db2.gz FPWSMSPWDXDNQB-PSASIEDQSA-N 0 1 293.283 -0.642 20 5 CBBDMN CN(C(=O)c1cc[nH]n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953771223 615898564 /nfs/dbraw/zinc/89/85/64/615898564.db2.gz FPWSMSPWDXDNQB-PSASIEDQSA-N 0 1 293.283 -0.642 20 5 CBBDMN CN(C(=O)c1cnco1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954870328 615927324 /nfs/dbraw/zinc/92/73/24/615927324.db2.gz NQISTCGGIKFQFW-RKDXNWHRSA-N 0 1 294.267 -0.377 20 5 CBBDMN COCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943541734 616549209 /nfs/dbraw/zinc/54/92/09/616549209.db2.gz ACZGASIZBHBPOG-NXEZZACHSA-N 0 1 285.300 -0.595 20 5 CBBDMN CN(C)S(=O)(=O)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905261715 656347142 /nfs/dbraw/zinc/34/71/42/656347142.db2.gz IYFGVMDVEXZTHN-SECBINFHSA-N 0 1 280.350 -0.877 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccncn1 ZINC000998190249 656514295 /nfs/dbraw/zinc/51/42/95/656514295.db2.gz SKVSGPGFGJBIMD-PSASIEDQSA-N 0 1 291.267 -0.918 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccnn1 ZINC000998292552 656522904 /nfs/dbraw/zinc/52/29/04/656522904.db2.gz NQHZNEYJXOIMPZ-PSASIEDQSA-N 0 1 291.267 -0.918 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1n[nH]cc1F ZINC000999184235 656616244 /nfs/dbraw/zinc/61/62/44/656616244.db2.gz MFVARHKCCIMWFA-HTRCEHHLSA-N 0 1 297.246 -0.845 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cc(F)ncn2)CC1 ZINC000908889231 656763392 /nfs/dbraw/zinc/76/33/92/656763392.db2.gz ZRBBJRIAHHJRQQ-RKDXNWHRSA-N 0 1 295.274 -0.071 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001001008440 656784961 /nfs/dbraw/zinc/78/49/61/656784961.db2.gz VVXITJVBHXIJQZ-PSASIEDQSA-N 0 1 293.283 -0.737 20 5 CBBDMN CCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001807460 656821876 /nfs/dbraw/zinc/82/18/76/656821876.db2.gz OGKSTTKUSQVFAK-RKDXNWHRSA-N 0 1 255.274 -0.364 20 5 CBBDMN O=C(NCC1CN(C(=O)c2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001796280 656821978 /nfs/dbraw/zinc/82/19/78/656821978.db2.gz ODMCBZGEYPTPPZ-PSASIEDQSA-N 0 1 294.267 -0.472 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC12CCN(CC1)C2 ZINC000913628578 657563805 /nfs/dbraw/zinc/56/38/05/657563805.db2.gz JNTQXYBZMHAPLV-UHFFFAOYSA-N 0 1 292.295 -0.279 20 5 CBBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)C(F)F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976483330 659186573 /nfs/dbraw/zinc/18/65/73/659186573.db2.gz MIFKOLQOXICFMU-CBQIKETKSA-N 0 1 289.238 -0.510 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC000990313185 659720317 /nfs/dbraw/zinc/72/03/17/659720317.db2.gz YMNGPYIWTBDGRJ-RKDXNWHRSA-N 0 1 279.256 -0.985 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cocn1 ZINC000990466792 659745450 /nfs/dbraw/zinc/74/54/50/659745450.db2.gz AQIGOOWBGJAAAJ-VXNVDRBHSA-N 0 1 280.240 -0.720 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cncnc1 ZINC000990962951 659807408 /nfs/dbraw/zinc/80/74/08/659807408.db2.gz RUDKWUXZHXMYKU-NXEZZACHSA-N 0 1 291.267 -0.918 20 5 CBBDMN Cc1ocnc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991282133 659829556 /nfs/dbraw/zinc/82/95/56/659829556.db2.gz WSCTYNJVZXYINU-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN CC(C)(C)C(=O)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279161 659829909 /nfs/dbraw/zinc/82/99/09/659829909.db2.gz JJOPVCSLQPJESH-RKDXNWHRSA-N 0 1 297.311 -0.406 20 5 CBBDMN Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000991291749 659830666 /nfs/dbraw/zinc/83/06/66/659830666.db2.gz YNSCMPVOVUKQNP-RKDXNWHRSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(NC1CN(C(=O)c2nccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991292034 659830900 /nfs/dbraw/zinc/83/09/00/659830900.db2.gz BOLCFKLQPGVFSO-HTQZYQBOSA-N 0 1 296.308 -0.251 20 5 CBBDMN Cn1cncc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991291789 659831017 /nfs/dbraw/zinc/83/10/17/659831017.db2.gz ZIGAVCARJHJZFE-RKDXNWHRSA-N 0 1 293.283 -0.974 20 5 CBBDMN Cc1cc[nH]c1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991293513 659831022 /nfs/dbraw/zinc/83/10/22/659831022.db2.gz BFHMUAIABYONLN-NXEZZACHSA-N 0 1 292.295 -0.071 20 5 CBBDMN Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000991984450 659850129 /nfs/dbraw/zinc/85/01/29/659850129.db2.gz HHQSOJJLVJZDDX-RKDXNWHRSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccns1 ZINC000992894551 659860287 /nfs/dbraw/zinc/86/02/87/659860287.db2.gz OFWLCZLHPKSTAL-HTQZYQBOSA-N 0 1 296.308 -0.251 20 5 CBBDMN CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001164672019 719370993 /nfs/dbraw/zinc/37/09/93/719370993.db2.gz XXMQVJFCOCXTHX-WDEREUQCSA-N 0 1 280.284 -0.253 20 5 CBBDMN CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001164672018 719371410 /nfs/dbraw/zinc/37/14/10/719371410.db2.gz XXMQVJFCOCXTHX-QWRGUYRKSA-N 0 1 280.284 -0.253 20 5 CBBDMN Cc1noc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022061460 790986446 /nfs/dbraw/zinc/98/64/46/790986446.db2.gz JFDCOKXMTGCYQM-UTINFBMNSA-N 0 1 295.299 -0.220 20 5 CBBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccon3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775937 798975687 /nfs/dbraw/zinc/97/56/87/798975687.db2.gz SGPKDXYGXRMWHI-ZIQFBCGOSA-N 0 1 292.295 -0.114 20 5 CBBDMN O=C(N[C@@H]1[C@H]2CN(Cc3cnon3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775984 798975719 /nfs/dbraw/zinc/97/57/19/798975719.db2.gz SMQNQZGUNOYNLW-NZFPMDFQSA-N 0 1 293.283 -0.719 20 5 CBBDMN CN(C(=O)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001030292529 799290874 /nfs/dbraw/zinc/29/08/74/799290874.db2.gz MWVIDHYAZLDOCR-GHMZBOCLSA-N 0 1 296.327 -0.927 20 5 CBBDMN Cc1oncc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292306 799290986 /nfs/dbraw/zinc/29/09/86/799290986.db2.gz CBVYWEHDCIFXFW-GHMZBOCLSA-N 0 1 280.284 -0.051 20 5 CBBDMN Cc1ncc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001030292775 799291024 /nfs/dbraw/zinc/29/10/24/799291024.db2.gz VFIIIXSNTIANGW-VXGBXAGGSA-N 0 1 291.311 -0.249 20 5 CBBDMN O=C(NC1CN(Cc2csnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292633 799291138 /nfs/dbraw/zinc/29/11/38/799291138.db2.gz PUXSWXCZTGGCAW-RKDXNWHRSA-N 0 1 283.313 -0.496 20 5 CBBDMN Cc1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001030291900 799291277 /nfs/dbraw/zinc/29/12/77/799291277.db2.gz MSDJUCYADRSONM-GHMZBOCLSA-N 0 1 280.284 -0.051 20 5 CBBDMN Cn1nccc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292794 799292296 /nfs/dbraw/zinc/29/22/96/799292296.db2.gz VYKLHPILULXTBZ-GHMZBOCLSA-N 0 1 279.300 -0.614 20 5 CBBDMN Cn1cc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001031662327 799531116 /nfs/dbraw/zinc/53/11/16/799531116.db2.gz BIQGGGSGXTWMIO-GHMZBOCLSA-N 0 1 294.315 -0.972 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cnns2)C1 ZINC001042711431 801511210 /nfs/dbraw/zinc/51/12/10/801511210.db2.gz SYCCRILZTNIDDE-NXEZZACHSA-N 0 1 297.340 -0.154 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCO)C1 ZINC001042711601 801511359 /nfs/dbraw/zinc/51/13/59/801511359.db2.gz YZRDDULKJIWNQS-NXEZZACHSA-N 0 1 257.290 -0.823 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccn(C)n2)C1 ZINC001042705271 801511573 /nfs/dbraw/zinc/51/15/73/801511573.db2.gz OVIRXLMJQMQGBX-VXGBXAGGSA-N 0 1 293.327 -0.272 20 5 CBBDMN CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001043375292 801558433 /nfs/dbraw/zinc/55/84/33/801558433.db2.gz LTSSDGATRNGSEO-RKDXNWHRSA-N 0 1 297.311 -0.859 20 5 CBBDMN CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001056799545 802467970 /nfs/dbraw/zinc/46/79/70/802467970.db2.gz NUJLGXRNFPWMLG-NXEZZACHSA-N 0 1 287.316 -0.611 20 5 CBBDMN CC(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543304 802514896 /nfs/dbraw/zinc/51/48/96/802514896.db2.gz BSZDJCBFFUNSDW-NXEZZACHSA-N 0 1 287.316 -0.755 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2[nH]nnc2C1 ZINC001321714142 803806163 /nfs/dbraw/zinc/80/61/63/803806163.db2.gz UFMDMBSOHLHZJL-UHFFFAOYSA-N 0 1 277.244 -0.506 20 5 CBBDMN O=C(NC[C@H](CO)[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001322483760 803901195 /nfs/dbraw/zinc/90/11/95/803901195.db2.gz HCBZSKVQTRLASQ-HTQZYQBOSA-N 0 1 284.272 -0.307 20 5 CBBDMN CN(C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001322897779 803952796 /nfs/dbraw/zinc/95/27/96/803952796.db2.gz GYRNYRYZLVCONE-UHFFFAOYSA-N 0 1 268.273 -0.566 20 5 CBBDMN O=C(NCCCc1c[nH][nH]c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001149263772 814980373 /nfs/dbraw/zinc/98/03/73/814980373.db2.gz XMVAZTXHRFFLEV-XLPZGREQSA-N 0 1 254.246 -0.720 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCc2nc[nH]c2C1 ZINC001324129663 804111281 /nfs/dbraw/zinc/11/12/81/804111281.db2.gz XKKZKEFKSGTFAB-SSDOTTSWSA-N 0 1 291.271 -0.417 20 5 CBBDMN COCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC001324251417 804126961 /nfs/dbraw/zinc/12/69/61/804126961.db2.gz NZSMDGMDRHKAPB-ZCFIWIBFSA-N 0 1 286.244 -0.374 20 5 CBBDMN CC[S@@](=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001324598481 804174766 /nfs/dbraw/zinc/17/47/66/804174766.db2.gz BOZXNSRQIVDUPR-QGZVFWFLSA-N 0 1 260.275 -0.184 20 5 CBBDMN O=C(O[C@H]1CCN(C2CC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001325278189 804270043 /nfs/dbraw/zinc/27/00/43/804270043.db2.gz MAFZUVBWMXDSIV-HLTSFMKQSA-N 0 1 254.242 -0.042 20 5 CBBDMN CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062988812 805029543 /nfs/dbraw/zinc/02/95/43/805029543.db2.gz DEDFXCZRSMKJJM-RKDXNWHRSA-N 0 1 255.274 -0.173 20 5 CBBDMN COc1cc(-n2nnnc2CN)ncc1[N+](=O)[O-] ZINC001158074634 815500645 /nfs/dbraw/zinc/50/06/45/815500645.db2.gz GLRKFBMHMISBNU-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN CNC(=O)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001115994070 812211874 /nfs/dbraw/zinc/21/18/74/812211874.db2.gz ODZSJZOVDCSUSB-UHFFFAOYSA-N 0 1 255.234 -0.556 20 5 CBBDMN O=C(NCCN1C(=O)CSC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001116415329 812256679 /nfs/dbraw/zinc/25/66/79/812256679.db2.gz PVHUZLUGFUFMBC-UHFFFAOYSA-N 0 1 299.268 -0.257 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N(C)C ZINC001116628286 812287142 /nfs/dbraw/zinc/28/71/42/812287142.db2.gz JVOOXRPGNVUBHL-YFKPBYRVSA-N 0 1 255.234 -0.476 20 5 CBBDMN O=C(N[C@H](CO)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001158260864 815517720 /nfs/dbraw/zinc/51/77/20/815517720.db2.gz FUMHGEPQNVVTPT-SCSAIBSYSA-N 0 1 268.151 -0.029 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)N1CCNCC1 ZINC001118199367 812492175 /nfs/dbraw/zinc/49/21/75/812492175.db2.gz KPPUCVDZXIQYPE-UHFFFAOYSA-N 0 1 284.247 -0.673 20 5 CBBDMN CN1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC001118852500 812641537 /nfs/dbraw/zinc/64/15/37/812641537.db2.gz MERQOYYQXCDZJQ-ZETCQYMHSA-N 0 1 281.272 -0.084 20 5 CBBDMN O=C(NC1CC(N2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001119548977 812805842 /nfs/dbraw/zinc/80/58/42/812805842.db2.gz ZYMUOUNDUXRQQU-UHFFFAOYSA-N 0 1 295.299 -0.089 20 5 CBBDMN COc1nc(NC[C@@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159034972 815556812 /nfs/dbraw/zinc/55/68/12/815556812.db2.gz CCPWWNUQMUSDCG-SSDOTTSWSA-N 0 1 269.261 -0.206 20 5 CBBDMN CNC(=O)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126161635 813620378 /nfs/dbraw/zinc/62/03/78/813620378.db2.gz QLSJKSAKPIHREX-UHFFFAOYSA-N 0 1 294.311 -0.063 20 5 CBBDMN Cc1ccnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932102 813695638 /nfs/dbraw/zinc/69/56/38/813695638.db2.gz IRHPQHUASGCSCI-NXEZZACHSA-N 0 1 279.300 -0.344 20 5 CBBDMN CCc1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126936656 813696680 /nfs/dbraw/zinc/69/66/80/813696680.db2.gz PCSYQXNYWQDFHY-HTQZYQBOSA-N 0 1 283.288 -0.497 20 5 CBBDMN CN1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001136076541 814551728 /nfs/dbraw/zinc/55/17/28/814551728.db2.gz OSEBMYWFHBHENG-UHFFFAOYSA-N 0 1 282.304 -0.705 20 5 CBBDMN C=CC(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001136636871 814566408 /nfs/dbraw/zinc/56/64/08/814566408.db2.gz QKAWTLKOCWJQMS-UHFFFAOYSA-N 0 1 253.218 -0.650 20 5 CBBDMN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001147350941 814889692 /nfs/dbraw/zinc/88/96/92/814889692.db2.gz DQDCNLOLHVOGJJ-PSASIEDQSA-N 0 1 296.331 -0.318 20 5 CBBDMN COC(=O)[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001161948974 815795173 /nfs/dbraw/zinc/79/51/73/815795173.db2.gz QXNIOUBVPBQMBV-OLQVQODUSA-N 0 1 268.229 -0.001 20 5 CBBDMN Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001163759670 815900187 /nfs/dbraw/zinc/90/01/87/815900187.db2.gz BOOOWFUVVMECEV-HTQZYQBOSA-N 0 1 267.241 -0.628 20 5 CBBDMN COCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285900271 816356641 /nfs/dbraw/zinc/35/66/41/816356641.db2.gz OWTLCXHOCBRLPM-HTQZYQBOSA-N 0 1 271.273 -0.937 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1=COCCO1 ZINC001296064811 816598632 /nfs/dbraw/zinc/59/86/32/816598632.db2.gz JLRZZQOJSLUXAW-RKDXNWHRSA-N 0 1 299.283 -0.886 20 5 CBBDMN COCCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297155397 816633477 /nfs/dbraw/zinc/63/34/77/816633477.db2.gz BKGQJTUHUKSQIZ-NXEZZACHSA-N 0 1 285.300 -0.737 20 5 CBBDMN COCC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298218275 816673152 /nfs/dbraw/zinc/67/31/52/816673152.db2.gz WWYDDAXXOOOICM-BNEREYBLSA-N 0 1 271.273 -0.913 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](O)[C@H](CO)C1 ZINC001299170754 816713684 /nfs/dbraw/zinc/71/36/84/816713684.db2.gz RLDVJOWFVHTFNS-KWQFWETISA-N 0 1 282.252 -0.274 20 5 CBBDMN Cn1cncc1[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001301547391 816748129 /nfs/dbraw/zinc/74/81/29/816748129.db2.gz KHYVOMCEBIAXED-BWZBUEFSSA-N 0 1 254.246 -0.765 20 5 CBBDMN CC(=O)N[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857864 816814557 /nfs/dbraw/zinc/81/45/57/816814557.db2.gz ZZTHNRAUZKEMRV-ZYHUDNBSSA-N 0 1 297.315 -0.637 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCn1cncn1 ZINC001309164851 816828658 /nfs/dbraw/zinc/82/86/58/816828658.db2.gz ZXVNRNXKQMQFTH-UHFFFAOYSA-N 0 1 298.284 -0.440 20 5 CBBDMN COCCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001318019796 817066079 /nfs/dbraw/zinc/06/60/79/817066079.db2.gz DHMJQADHZXOJPC-NXEZZACHSA-N 0 1 257.290 -0.512 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cnc[nH]1 ZINC001318764462 817139092 /nfs/dbraw/zinc/13/90/92/817139092.db2.gz AXJRJOKOXHLAKL-UHFFFAOYSA-N 0 1 277.240 -0.204 20 5 CBBDMN CN1C(=S)N=NC1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319843461 817247539 /nfs/dbraw/zinc/24/75/39/817247539.db2.gz TTWVJMDYQMXLHL-UHFFFAOYSA-N 0 1 297.300 -0.292 20 5 CBBDMN Cc1nnc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[nH]1 ZINC001320009605 817267696 /nfs/dbraw/zinc/26/76/96/817267696.db2.gz ITOBYEPTBQXHJW-UHFFFAOYSA-N 0 1 278.228 -0.178 20 5 CBBDMN Cc1cnc(N2CCNC(=O)C23CNC3)c([N+](=O)[O-])c1 ZINC001165298010 819951047 /nfs/dbraw/zinc/95/10/47/819951047.db2.gz ONMTVNMZHGEDER-UHFFFAOYSA-N 0 1 277.284 -0.424 20 5 CBBDMN Cc1cc([N+](=O)[O-])cnc1N1CCNC(=O)C12CNC2 ZINC001165298599 819952767 /nfs/dbraw/zinc/95/27/67/819952767.db2.gz ZGCCEIGZHKYGCE-UHFFFAOYSA-N 0 1 277.284 -0.424 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1cccc([N+](=O)[O-])n1 ZINC001165436194 819961275 /nfs/dbraw/zinc/96/12/75/819961275.db2.gz IMFYHZYDKSSISE-MRVPVSSYSA-N 0 1 266.257 -0.059 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1cc(OC)c([N+](=O)[O-])cn1 ZINC001165439017 819963399 /nfs/dbraw/zinc/96/33/99/819963399.db2.gz NWXDGERQROYBGG-VIFPVBQESA-N 0 1 296.283 -0.050 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001165438638 819964015 /nfs/dbraw/zinc/96/40/15/819964015.db2.gz JCDXZQSFXRQUAE-SSDOTTSWSA-N 0 1 297.271 -0.655 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1ncc(OC)cc1[N+](=O)[O-] ZINC001165439223 819964064 /nfs/dbraw/zinc/96/40/64/819964064.db2.gz PBAKLKFMIQQSPZ-JTQLQIEISA-N 0 1 296.283 -0.050 20 5 CBBDMN COc1cnc(-n2nnnc2CN)cc1[N+](=O)[O-] ZINC001168921145 820193469 /nfs/dbraw/zinc/19/34/69/820193469.db2.gz SHWBVYAHEKAEJS-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN NC(=O)[C@@H](N)Cc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169008009 820200130 /nfs/dbraw/zinc/20/01/30/820200130.db2.gz QOQNUVUAJJZKHK-LSJOCFKGSA-N 0 1 281.316 -0.144 20 5 CBBDMN O=C1CN(C2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038463 820202122 /nfs/dbraw/zinc/20/21/22/820202122.db2.gz YXSICHFXURSKON-WDEREUQCSA-N 0 1 282.344 -0.452 20 5 CBBDMN O=C1COC[C@@H]2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035522 820202377 /nfs/dbraw/zinc/20/23/77/820202377.db2.gz BRRJJNIHAYTJDF-WOPDTQHZSA-N 0 1 283.328 -0.025 20 5 CBBDMN NC(=O)c1nc(NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001170036269 820274837 /nfs/dbraw/zinc/27/48/37/820274837.db2.gz WXFFCRDBUCNPMK-ZETCQYMHSA-N 0 1 281.272 -0.511 20 5 CBBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170864890 820330849 /nfs/dbraw/zinc/33/08/49/820330849.db2.gz KBVINBWVZFKCIU-SNVBAGLBSA-N 0 1 256.262 -0.237 20 5 CBBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CC(N)=O)C(N)=O ZINC001173218527 820400769 /nfs/dbraw/zinc/40/07/69/820400769.db2.gz BRZFVQJATBQUEB-KCJUWKMLSA-N 0 1 294.311 -0.155 20 5 CBBDMN COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001177615883 820528808 /nfs/dbraw/zinc/52/88/08/820528808.db2.gz HXSDOFZTOMCXMK-PHDIDXHHSA-N 0 1 268.229 -0.143 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](O)c1cnc[nH]1 ZINC001177836039 820542863 /nfs/dbraw/zinc/54/28/63/820542863.db2.gz BBLRFYOHBZECKP-SECBINFHSA-N 0 1 280.244 -0.636 20 5 CBBDMN Nc1c[nH]nc1[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001180772604 820727207 /nfs/dbraw/zinc/72/72/07/820727207.db2.gz ATFHAXAEWYQXBX-ZXFLCMHBSA-N 0 1 265.273 -0.027 20 5 CBBDMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001180772604 820727218 /nfs/dbraw/zinc/72/72/18/820727218.db2.gz ATFHAXAEWYQXBX-ZXFLCMHBSA-N 0 1 265.273 -0.027 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnsn1 ZINC001282925067 828472046 /nfs/dbraw/zinc/47/20/46/828472046.db2.gz ULKZIIHFYLAEGL-IYSWYEEDSA-N 0 1 285.285 -0.951 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncnc1 ZINC001283231250 828509769 /nfs/dbraw/zinc/50/97/69/828509769.db2.gz MYFHXBYBOLYHPJ-NXEZZACHSA-N 0 1 293.283 -0.622 20 5 CBBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnon1 ZINC001284611961 828614976 /nfs/dbraw/zinc/61/49/76/828614976.db2.gz NOVSMOIBBISVSP-VXNVDRBHSA-N 0 1 297.271 -0.687 20 5 CBBDMN CCOCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284899815 828631733 /nfs/dbraw/zinc/63/17/33/828631733.db2.gz FKEKNGCCPLDEGK-RKDXNWHRSA-N 0 1 271.273 -0.985 20 5 CBBDMN O=C(NCc1nnc2n1CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC001253811732 825933496 /nfs/dbraw/zinc/93/34/96/825933496.db2.gz LYDWUZVGBWEZHQ-UHFFFAOYSA-N 0 1 277.244 -0.214 20 5 CBBDMN C[S@](=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001262199758 826659552 /nfs/dbraw/zinc/65/95/52/826659552.db2.gz YPXIRRCBHYNDEA-KRWDZBQOSA-N 0 1 260.275 -0.184 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(N(C)C)C1 ZINC001262337377 826677083 /nfs/dbraw/zinc/67/70/83/826677083.db2.gz LZELZGSYYGOOLU-UHFFFAOYSA-N 0 1 267.289 -0.128 20 5 CBBDMN CO[C@@]1(CNCC[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001262492054 826695980 /nfs/dbraw/zinc/69/59/80/826695980.db2.gz XPALHSCVPQZODB-MRVPVSSYSA-N 0 1 252.292 -0.944 20 5 CBBDMN CCCNC(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001262648665 826721938 /nfs/dbraw/zinc/72/19/38/826721938.db2.gz NPLWXZOKGDHPAP-LURJTMIESA-N 0 1 269.261 -0.038 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnns1 ZINC001266273178 826968750 /nfs/dbraw/zinc/96/87/50/826968750.db2.gz MEAITSZFFFGGJP-RKDXNWHRSA-N 0 1 285.329 -0.249 20 5 CBBDMN O=C(NCCN1CCN(CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266283499 826972929 /nfs/dbraw/zinc/97/29/29/826972929.db2.gz PUACJICZSUITSQ-GHMZBOCLSA-N 0 1 288.323 -0.645 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncnn1C ZINC001338899450 889215491 /nfs/dbraw/zinc/21/54/91/889215491.db2.gz LBVOPYUUBAKROX-YFKPBYRVSA-N 0 1 265.233 -0.063 20 5 CBBDMN O=C(NCC1(NCc2cnon2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001326823798 885164732 /nfs/dbraw/zinc/16/47/32/885164732.db2.gz ZEVSWYROTFKQQE-NXEZZACHSA-N 0 1 295.299 -0.137 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC001326995726 885217848 /nfs/dbraw/zinc/21/78/48/885217848.db2.gz FQGTXRHCDCLGTM-JGVFFNPUSA-N 0 1 284.272 -0.558 20 5 CBBDMN Cc1cc(=O)n2[nH]c(NC(=O)[C@@H]3CC3[N+](=O)[O-])nc2n1 ZINC001329070378 885914240 /nfs/dbraw/zinc/91/42/40/885914240.db2.gz LTKYCYPGAVIOPU-PHDIDXHHSA-N 0 1 278.228 -0.670 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncnn1C ZINC001338899447 889214511 /nfs/dbraw/zinc/21/45/11/889214511.db2.gz LBVOPYUUBAKROX-RXMQYKEDSA-N 0 1 265.233 -0.063 20 5 CBBDMN O=C([O-])C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001339749753 889318860 /nfs/dbraw/zinc/31/88/60/889318860.db2.gz YHIVOXSIEMIRLT-LLVKDONJSA-N 0 1 298.299 -0.051 20 5 CBBDMN COC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001340491449 889440031 /nfs/dbraw/zinc/44/00/31/889440031.db2.gz MJBZFDWXRSQKNA-SNVBAGLBSA-N 0 1 282.300 -0.006 20 5 CBBDMN CN1CCN(C2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC001344028384 889993625 /nfs/dbraw/zinc/99/36/25/889993625.db2.gz UKOUYAULGOIMNF-UHFFFAOYSA-N 0 1 294.315 -0.610 20 5 CBBDMN CCn1nncc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001348478408 890631627 /nfs/dbraw/zinc/63/16/27/890631627.db2.gz JBOKTGZPOAKSAK-UHFFFAOYSA-N 0 1 265.233 -0.141 20 5 CBBDMN CCc1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001348934810 890729536 /nfs/dbraw/zinc/72/95/36/890729536.db2.gz YGQWXSBBUFZICC-PSASIEDQSA-N 0 1 296.283 -0.252 20 5 CBBDMN CCOCC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355592539 891693646 /nfs/dbraw/zinc/69/36/46/891693646.db2.gz YQANNLKDWCANIO-RKDXNWHRSA-N 0 1 273.289 -0.737 20 5 CBBDMN CNC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356541431 891777268 /nfs/dbraw/zinc/77/72/68/891777268.db2.gz RPUAVEAEXIJIQX-JQCXWYLXSA-N 0 1 255.274 -0.318 20 5 CBBDMN COCCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356741120 891788852 /nfs/dbraw/zinc/78/88/52/891788852.db2.gz QXTJBIBMWDEKKI-RKDXNWHRSA-N 0 1 271.273 -0.985 20 5 CBBDMN Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)cn1 ZINC001360900494 892066597 /nfs/dbraw/zinc/06/65/97/892066597.db2.gz INTXZGOMZRTJNQ-OPRDCNLKSA-N 0 1 293.283 -0.693 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2nn[nH]n2)n1 ZINC001437661017 910716279 /nfs/dbraw/zinc/71/62/79/910716279.db2.gz ANVDKOSSZVPHKR-UHFFFAOYSA-N 0 1 266.221 -0.399 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2ncon2)C1 ZINC001466830028 915157705 /nfs/dbraw/zinc/15/77/05/915157705.db2.gz QLAAILHEOALNPV-BWZBUEFSSA-N 0 1 268.229 -0.365 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](c2ncon2)C1 ZINC001466830029 915158368 /nfs/dbraw/zinc/15/83/68/915158368.db2.gz QLAAILHEOALNPV-PRJMDXOYSA-N 0 1 268.229 -0.365 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001467516238 915223038 /nfs/dbraw/zinc/22/30/38/915223038.db2.gz PQWUQJMVGLIDGU-UHFFFAOYSA-N 0 1 265.233 -0.281 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN2CCCC2)n1 ZINC001468606152 915314027 /nfs/dbraw/zinc/31/40/27/915314027.db2.gz OYXPCARHQKRFNO-VIFPVBQESA-N 0 1 297.315 -0.485 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1N=NC(=O)N1C ZINC001469595628 915415649 /nfs/dbraw/zinc/41/56/49/915415649.db2.gz ZWSOXCOQRBHSQB-HSUXUTPPSA-N 0 1 255.234 -0.637 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)n1 ZINC001471459534 915585965 /nfs/dbraw/zinc/58/59/65/915585965.db2.gz GTUVCQFCAWMFHS-ZCFIWIBFSA-N 0 1 292.259 -0.529 20 5 CBBDMN Cn1cc(CN2C[C@H](CO)[C@@H](CCO)C2)c([N+](=O)[O-])n1 ZINC001473894407 915881067 /nfs/dbraw/zinc/88/10/67/915881067.db2.gz XGDFYTVPEQTUAO-GXSJLCMTSA-N 0 1 284.316 -0.249 20 5 CBBDMN O=C(NCCN(Cc1cnon1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001481168797 916739733 /nfs/dbraw/zinc/73/97/33/916739733.db2.gz GBPQYOBYKZJYSV-GHMZBOCLSA-N 0 1 295.299 -0.185 20 5 CBBDMN COCC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001488604333 918744096 /nfs/dbraw/zinc/74/40/96/918744096.db2.gz AEDXDNHXLFVGQK-GHMZBOCLSA-N 0 1 297.311 -0.427 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncs1 ZINC001491149932 919052720 /nfs/dbraw/zinc/05/27/20/919052720.db2.gz UJNKYBXEVVHFQT-RNFRBKRXSA-N 0 1 284.297 -0.346 20 5 CBBDMN CC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001491282786 919104799 /nfs/dbraw/zinc/10/47/99/919104799.db2.gz LZOPPIAKKAQQQC-HTQZYQBOSA-N 0 1 255.274 -0.316 20 5 CBBDMN CCOCC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001493464656 919555704 /nfs/dbraw/zinc/55/57/04/919555704.db2.gz KFMOUDBRWPTVMM-UHFFFAOYSA-N 0 1 299.331 -0.087 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccsn1 ZINC001496012654 920004714 /nfs/dbraw/zinc/00/47/14/920004714.db2.gz LLJZAXUYBJZNAJ-VXNVDRBHSA-N 0 1 298.324 -0.004 20 5 CBBDMN O=C(NCC1(O)CN(C/C=C\Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001500834134 920901565 /nfs/dbraw/zinc/90/15/65/920901565.db2.gz KMSMQRZSIQCCMV-WDESOFOKSA-N 0 1 289.719 -0.433 20 5 CBBDMN COCc1nnc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001515535251 922235537 /nfs/dbraw/zinc/23/55/37/922235537.db2.gz ORVPTJIBLXUXPA-RNFRBKRXSA-N 0 1 271.229 -0.033 20 5 CBBDMN O=C(NCc1nc2ncccn2n1)[C@@H]1CC1[N+](=O)[O-] ZINC001529271880 922882578 /nfs/dbraw/zinc/88/25/78/922882578.db2.gz DXPJTYZIIDXTSA-RNFRBKRXSA-N 0 1 262.229 -0.594 20 5 CBBDMN CN1CC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001538351254 923243535 /nfs/dbraw/zinc/24/35/35/923243535.db2.gz FUMOPIAXHXXKHM-SSDOTTSWSA-N 0 1 254.250 -0.993 20 5 CBBDMN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001543359372 923289726 /nfs/dbraw/zinc/28/97/26/923289726.db2.gz PGPOYSLUXHANMH-IWSPIJDZSA-N 0 1 255.274 -0.364 20 5 CBBDMN O=C(N[C@@H](CO)[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001546304518 923340208 /nfs/dbraw/zinc/34/02/08/923340208.db2.gz JNGVQWOAEXGRNE-BQBZGAKWSA-N 0 1 270.245 -0.555 20 5 CBBDMN O=C(NC1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CC1[N+](=O)[O-] ZINC001556532111 924065818 /nfs/dbraw/zinc/06/58/18/924065818.db2.gz LCTLWHICMWVSEO-SGOFPDIDSA-N 0 1 296.283 -0.711 20 5 CBBDMN O=C(NCCS(=O)(=O)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001557453559 924120938 /nfs/dbraw/zinc/12/09/38/924120938.db2.gz MBWKIGSBWBJBGM-RFZPGFLSSA-N 0 1 290.219 -0.298 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001557576274 924124203 /nfs/dbraw/zinc/12/42/03/924124203.db2.gz AVCUOINVEHENRM-WRWORJQWSA-N 0 1 284.272 -0.416 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](O)c1cnc[nH]1 ZINC001558340375 924169747 /nfs/dbraw/zinc/16/97/47/924169747.db2.gz CACXFRVCCXGRCF-SECBINFHSA-N 0 1 294.271 -0.327 20 5 CBBDMN CN(CCOCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000337418851 214069146 /nfs/dbraw/zinc/06/91/46/214069146.db2.gz AIIZYROZXXXWDL-UHFFFAOYSA-N 0 1 285.300 -0.303 20 5 CBBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)NCCO ZINC000275018098 230202553 /nfs/dbraw/zinc/20/25/53/230202553.db2.gz ZKCRCGCLWZRCHF-UHFFFAOYSA-N 0 1 283.240 -0.861 20 5 CBBDMN Cc1nnc2n1C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000377362624 230284574 /nfs/dbraw/zinc/28/45/74/230284574.db2.gz OVYLQWXQNRARPZ-HLTSFMKQSA-N 0 1 265.273 -0.317 20 5 CBBDMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000377828371 529745717 /nfs/dbraw/zinc/74/57/17/529745717.db2.gz HDRCLOJFDZIORQ-HLTSFMKQSA-N 0 1 295.299 -0.068 20 5 CBBDMN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000377828371 529745718 /nfs/dbraw/zinc/74/57/18/529745718.db2.gz HDRCLOJFDZIORQ-HLTSFMKQSA-N 0 1 295.299 -0.068 20 5 CBBDMN CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000044383772 351444425 /nfs/dbraw/zinc/44/44/25/351444425.db2.gz GQADLXJNBMXHQG-NXEZZACHSA-N 0 1 255.274 -0.268 20 5 CBBDMN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC1[N+](=O)[O-] ZINC000047296156 351459276 /nfs/dbraw/zinc/45/92/76/351459276.db2.gz KSDXDMFWTWWSAT-YUMQZZPRSA-N 0 1 296.283 -0.063 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000074396228 351661249 /nfs/dbraw/zinc/66/12/49/351661249.db2.gz PONZETXLLYSJKG-MNOVXSKESA-N 0 1 279.300 -0.266 20 5 CBBDMN CCNC(=O)CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075642595 351670250 /nfs/dbraw/zinc/67/02/50/351670250.db2.gz ILWUCBVTSOWPLN-SNVBAGLBSA-N 0 1 285.304 -0.780 20 5 CBBDMN NC(=O)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000092734811 351752136 /nfs/dbraw/zinc/75/21/36/351752136.db2.gz GDUUSTKEQIEBJB-LLVKDONJSA-N 0 1 281.268 -0.014 20 5 CBBDMN C[C@H](CN1CCOCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136031971 351918671 /nfs/dbraw/zinc/91/86/71/351918671.db2.gz MZPQQKVBKJDMKG-MRVPVSSYSA-N 0 1 283.288 -0.232 20 5 CBBDMN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000131395910 351886345 /nfs/dbraw/zinc/88/63/45/351886345.db2.gz ZAPHKMGFPIPQPH-LURJTMIESA-N 0 1 279.256 -0.189 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2C[C@@H](O)C[C@H]2CO)c1 ZINC000186531010 352127654 /nfs/dbraw/zinc/12/76/54/352127654.db2.gz HYFHKAKOLMQRPL-WPRPVWTQSA-N 0 1 256.262 -0.781 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2C[C@@H](O)C[C@H]2CO)n1 ZINC000186542236 352128892 /nfs/dbraw/zinc/12/88/92/352128892.db2.gz LJWMXKDUIBZBJP-IUCAKERBSA-N 0 1 256.262 -0.781 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000192500615 352197778 /nfs/dbraw/zinc/19/77/78/352197778.db2.gz ZJDRKCKXCYWYHH-ZCFIWIBFSA-N 0 1 281.272 -0.159 20 5 CBBDMN C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000189363237 352167996 /nfs/dbraw/zinc/16/79/96/352167996.db2.gz JNDKXCGIXZOKQX-NSHDSACASA-N 0 1 283.332 -0.210 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCCN1 ZINC000236080621 352288785 /nfs/dbraw/zinc/28/87/85/352288785.db2.gz JNWCYMVTVVJKPC-QMMMGPOBSA-N 0 1 268.273 -0.349 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1 ZINC000237614636 352308050 /nfs/dbraw/zinc/30/80/50/352308050.db2.gz AIEGGXKRUFRSLY-VIFPVBQESA-N 0 1 280.284 -0.423 20 5 CBBDMN COC(=O)[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274724615 352544104 /nfs/dbraw/zinc/54/41/04/352544104.db2.gz YMPRXXKAXNLVPX-SECBINFHSA-N 0 1 284.224 -0.436 20 5 CBBDMN O=C(NCC1(N2CCOCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000277717280 352573874 /nfs/dbraw/zinc/57/38/74/352573874.db2.gz XWNAMTNBNMLLML-UHFFFAOYSA-N 0 1 295.299 -0.088 20 5 CBBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000278659515 352580872 /nfs/dbraw/zinc/58/08/72/352580872.db2.gz HTICRBQHTSHOIZ-USWWRNFRSA-N 0 1 298.295 -0.628 20 5 CBBDMN CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1CCO ZINC000302530364 352741347 /nfs/dbraw/zinc/74/13/47/352741347.db2.gz LFNVMDXHHMGBLI-UHFFFAOYSA-N 0 1 296.331 -0.140 20 5 CBBDMN NC(=O)C1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000152437757 188018846 /nfs/dbraw/zinc/01/88/46/188018846.db2.gz CYTLQWFGEZXSHK-JTQLQIEISA-N 0 1 295.295 -0.058 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)CC(N)=O)c1[N+](=O)[O-] ZINC000345632055 353340890 /nfs/dbraw/zinc/34/08/90/353340890.db2.gz UEXSVUDWESQUJT-UHFFFAOYSA-N 0 1 255.234 -0.562 20 5 CBBDMN C[C@H](CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1)c1nn[nH]n1 ZINC000352473663 353487623 /nfs/dbraw/zinc/48/76/23/353487623.db2.gz WTSXCYBYHXVHJD-SSDOTTSWSA-N 0 1 294.275 -0.434 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1COC[C@@H]1O ZINC000352801306 353506638 /nfs/dbraw/zinc/50/66/38/353506638.db2.gz JVAKOYWVQAIGFC-QWRGUYRKSA-N 0 1 283.284 -0.552 20 5 CBBDMN COC[C@@H](C(N)=O)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000354638255 353574113 /nfs/dbraw/zinc/57/41/13/353574113.db2.gz BELDPHHKRYGGME-JTQLQIEISA-N 0 1 297.267 -0.127 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(CC(N)=O)C2)c1[N+](=O)[O-] ZINC000358137214 353628398 /nfs/dbraw/zinc/62/83/98/353628398.db2.gz NVHFQLJERPGYEL-UHFFFAOYSA-N 0 1 281.272 -0.172 20 5 CBBDMN CCc1n[n-]c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358428515 353643607 /nfs/dbraw/zinc/64/36/07/353643607.db2.gz WRLBPSWOQCUIKK-GFCCVEGCSA-N 0 1 297.315 -0.323 20 5 CBBDMN CCc1n[n-]c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358428515 353643609 /nfs/dbraw/zinc/64/36/09/353643609.db2.gz WRLBPSWOQCUIKK-GFCCVEGCSA-N 0 1 297.315 -0.323 20 5 CBBDMN C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000365330397 353673687 /nfs/dbraw/zinc/67/36/87/353673687.db2.gz LDZWIWWRNABQNF-IWSPIJDZSA-N 0 1 276.314 -0.313 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](n2cncn2)C1 ZINC000372472603 353717228 /nfs/dbraw/zinc/71/72/28/353717228.db2.gz IWHRJDHXCHFUEM-HLTSFMKQSA-N 0 1 251.246 -0.283 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000372561906 353719752 /nfs/dbraw/zinc/71/97/52/353719752.db2.gz ABHRPXFOCNNACR-HRDYMLBCSA-N 0 1 255.274 -0.221 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1c1nc[nH]n1 ZINC000375293589 353757690 /nfs/dbraw/zinc/75/76/90/353757690.db2.gz SWJCEKDUUQCFLI-GJMOJQLCSA-N 0 1 267.245 -0.630 20 5 CBBDMN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCOC[C@@H]1c1nnc[nH]1 ZINC000375293589 353757695 /nfs/dbraw/zinc/75/76/95/353757695.db2.gz SWJCEKDUUQCFLI-GJMOJQLCSA-N 0 1 267.245 -0.630 20 5 CBBDMN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000376410351 353775109 /nfs/dbraw/zinc/77/51/09/353775109.db2.gz GWISJGMSRKCERT-XAVMHZPKSA-N 0 1 272.257 -0.824 20 5 CBBDMN O=C(N[C@H]1CCC(=O)NC12CCC2)[C@H]1CC1[N+](=O)[O-] ZINC000374651464 353747643 /nfs/dbraw/zinc/74/76/43/353747643.db2.gz AVZLQNFSLNVPAB-CIUDSAMLSA-N 0 1 267.285 -0.031 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2CCCC[C@@H]2C1 ZINC000408024335 353827685 /nfs/dbraw/zinc/82/76/85/353827685.db2.gz ZNJUEUZCCFNAQT-SNVBAGLBSA-N 0 1 294.315 -0.117 20 5 CBBDMN C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000417908888 353985982 /nfs/dbraw/zinc/98/59/82/353985982.db2.gz JCXNBYBHJOUPFS-VIFPVBQESA-N 0 1 282.304 -0.205 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000444096947 354260477 /nfs/dbraw/zinc/26/04/77/354260477.db2.gz MCQYVTZXTIIUAY-SSDOTTSWSA-N 0 1 281.272 -0.030 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC000444313255 354268855 /nfs/dbraw/zinc/26/88/55/354268855.db2.gz GZDFPFCYAHXPCU-NKWVEPMBSA-N 0 1 284.272 -0.552 20 5 CBBDMN CC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000563197297 354701836 /nfs/dbraw/zinc/70/18/36/354701836.db2.gz GGIUUWPTECXXSA-UHFFFAOYSA-N 0 1 269.261 -0.166 20 5 CBBDMN C[C@@H]1CNCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000564797954 354717334 /nfs/dbraw/zinc/71/73/34/354717334.db2.gz XBYVXMLBXCZKOT-SSDOTTSWSA-N 0 1 253.262 -0.238 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000578466858 354946337 /nfs/dbraw/zinc/94/63/37/354946337.db2.gz UTZNJPLECJCDRB-ZJUUUORDSA-N 0 1 270.289 -0.534 20 5 CBBDMN C[NH+](C)C[C@@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590369826 355075989 /nfs/dbraw/zinc/07/59/89/355075989.db2.gz OMYGQKNMYHAQPE-QMMMGPOBSA-N 0 1 284.272 -0.652 20 5 CBBDMN COC(=O)[C@@H]1C[C@@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195156 355138864 /nfs/dbraw/zinc/13/88/64/355138864.db2.gz JKKBIOBMKWRSQW-MWLCHTKSSA-N 0 1 298.299 -0.353 20 5 CBBDMN COC(=O)[C@H]1C[C@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195158 355139290 /nfs/dbraw/zinc/13/92/90/355139290.db2.gz JKKBIOBMKWRSQW-ONGXEEELSA-N 0 1 298.299 -0.353 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198822 355140268 /nfs/dbraw/zinc/14/02/68/355140268.db2.gz OYKQFOSXJUGEKQ-ZJUUUORDSA-N 0 1 298.299 -0.353 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592899194 355177844 /nfs/dbraw/zinc/17/78/44/355177844.db2.gz BWVHMJLHWYYMPD-LURJTMIESA-N 0 1 267.245 -0.113 20 5 CBBDMN COC[C@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593065746 355191609 /nfs/dbraw/zinc/19/16/09/355191609.db2.gz AXGGBUSAARXHSC-VXGBXAGGSA-N 0 1 297.311 -0.162 20 5 CBBDMN COCCN(CCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000271830717 191354447 /nfs/dbraw/zinc/35/44/47/191354447.db2.gz WWRQVRAGKYYIDB-UHFFFAOYSA-N 0 1 272.261 -0.293 20 5 CBBDMN O=C1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CN1 ZINC000594773313 355260856 /nfs/dbraw/zinc/26/08/56/355260856.db2.gz QJWKRXWOHLFCMO-ZCFIWIBFSA-N 0 1 286.269 -0.843 20 5 CBBDMN C[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760615 355261030 /nfs/dbraw/zinc/26/10/30/355261030.db2.gz UHFIZAAQJFIKAG-LURJTMIESA-N 0 1 261.259 -0.351 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595566996 355296339 /nfs/dbraw/zinc/29/63/39/355296339.db2.gz QKCBVIVSWSCGMG-UHFFFAOYSA-N 0 1 296.331 -0.006 20 5 CBBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(O)CNC1 ZINC000595923718 355318613 /nfs/dbraw/zinc/31/86/13/355318613.db2.gz ZGODQNFYMAFHPF-UHFFFAOYSA-N 0 1 280.284 -0.543 20 5 CBBDMN CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000598161297 355433597 /nfs/dbraw/zinc/43/35/97/355433597.db2.gz QERTVYSISISIOX-UHFFFAOYSA-N 0 1 253.262 -0.049 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)n1 ZINC000599095981 355463646 /nfs/dbraw/zinc/46/36/46/355463646.db2.gz JWMMTHAJJPEYLC-SSDOTTSWSA-N 0 1 289.317 -0.641 20 5 CBBDMN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105420 355464340 /nfs/dbraw/zinc/46/43/40/355464340.db2.gz CIKNWYGEQGSNTG-PHDIDXHHSA-N 0 1 277.306 -0.658 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]([NH3+])C2CC2)n1 ZINC000599100505 355464456 /nfs/dbraw/zinc/46/44/56/355464456.db2.gz JFSOUURJTPLOQU-SSDOTTSWSA-N 0 1 289.317 -0.656 20 5 CBBDMN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599111612 355465390 /nfs/dbraw/zinc/46/53/90/355465390.db2.gz LCNDKCOJNQTGKO-NKWVEPMBSA-N 0 1 289.317 -0.643 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1NCCN1CC[C@@H](O)C1 ZINC000599176386 355470108 /nfs/dbraw/zinc/47/01/08/355470108.db2.gz SIINGAOTSNATMO-MRVPVSSYSA-N 0 1 255.278 -0.193 20 5 CBBDMN C[C@@H](CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599243620 355473735 /nfs/dbraw/zinc/47/37/35/355473735.db2.gz HDAFEHJVIVHDAD-ZCFIWIBFSA-N 0 1 278.290 -0.765 20 5 CBBDMN C[C@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599240830 355473935 /nfs/dbraw/zinc/47/39/35/355473935.db2.gz KEOVVGZSNVJCDC-ZCFIWIBFSA-N 0 1 278.290 -0.623 20 5 CBBDMN CC(C)[C@@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599253743 355475118 /nfs/dbraw/zinc/47/51/18/355475118.db2.gz POEQFMGTENIKIQ-SSDOTTSWSA-N 0 1 292.317 -0.377 20 5 CBBDMN C[C@@H](CCO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599254487 355475161 /nfs/dbraw/zinc/47/51/61/355475161.db2.gz SNDXBDTZRHYMPV-ZETCQYMHSA-N 0 1 292.317 -0.375 20 5 CBBDMN C[C@H](C[C@H](C)O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599272314 355476066 /nfs/dbraw/zinc/47/60/66/355476066.db2.gz RSNLXWRIMVBQLS-RQJHMYQMSA-N 0 1 292.317 -0.234 20 5 CBBDMN C[C@H](O)C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599272311 355476083 /nfs/dbraw/zinc/47/60/83/355476083.db2.gz RSNLXWRIMVBQLS-BQBZGAKWSA-N 0 1 292.317 -0.234 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCF)n1 ZINC000599295883 355478016 /nfs/dbraw/zinc/47/80/16/355478016.db2.gz FHZYMYMQQBBRPY-UHFFFAOYSA-N 0 1 252.227 -0.424 20 5 CBBDMN C[C@@H](C[NH+](C)C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599306824 355478515 /nfs/dbraw/zinc/47/85/15/355478515.db2.gz LMXSJYWBPWDOOA-ZETCQYMHSA-N 0 1 291.333 -0.443 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599940243 355519988 /nfs/dbraw/zinc/51/99/88/355519988.db2.gz NDZACYUSOMZZIC-BDAKNGLRSA-N 0 1 295.299 -0.401 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599940243 355519991 /nfs/dbraw/zinc/51/99/91/355519991.db2.gz NDZACYUSOMZZIC-BDAKNGLRSA-N 0 1 295.299 -0.401 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599940245 355520090 /nfs/dbraw/zinc/52/00/90/355520090.db2.gz NDZACYUSOMZZIC-IUCAKERBSA-N 0 1 295.299 -0.401 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599940245 355520095 /nfs/dbraw/zinc/52/00/95/355520095.db2.gz NDZACYUSOMZZIC-IUCAKERBSA-N 0 1 295.299 -0.401 20 5 CBBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@H](O)C1 ZINC000600809269 355566647 /nfs/dbraw/zinc/56/66/47/355566647.db2.gz XXJRRXHFNDSYHZ-VIFPVBQESA-N 0 1 294.311 -0.027 20 5 CBBDMN O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600838564 355569012 /nfs/dbraw/zinc/56/90/12/355569012.db2.gz RLCLXVUBFZJQHE-VIFPVBQESA-N 0 1 296.283 -0.508 20 5 CBBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600838564 355569016 /nfs/dbraw/zinc/56/90/16/355569016.db2.gz RLCLXVUBFZJQHE-VIFPVBQESA-N 0 1 296.283 -0.508 20 5 CBBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1CCO ZINC000602625584 355665606 /nfs/dbraw/zinc/66/56/06/355665606.db2.gz TXEOQUOFCOXKHH-JTQLQIEISA-N 0 1 283.332 -0.173 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[C@]2(O)C1 ZINC000603086606 355695710 /nfs/dbraw/zinc/69/57/10/355695710.db2.gz LTNZHBNIFDUZSD-CABZTGNLSA-N 0 1 265.269 -0.177 20 5 CBBDMN O=C(NCc1nn[nH]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609533142 355770044 /nfs/dbraw/zinc/77/00/44/355770044.db2.gz YHXDZSCAUGBJGQ-UHFFFAOYSA-N 0 1 292.211 -0.233 20 5 CBBDMN CCN(CC(=O)N(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610367556 355777694 /nfs/dbraw/zinc/77/76/94/355777694.db2.gz XTZDWGPYJNRLSP-NSHDSACASA-N 0 1 299.331 -0.438 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000610669377 355785322 /nfs/dbraw/zinc/78/53/22/355785322.db2.gz WZRMYFNQURHIOA-KNVOCYPGSA-N 0 1 270.245 -0.806 20 5 CBBDMN O=C(NCc1c[nH]nn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000615164478 356011874 /nfs/dbraw/zinc/01/18/74/356011874.db2.gz AWWDJDQUZSLWKF-UHFFFAOYSA-N 0 1 290.239 -0.032 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000618225165 356180946 /nfs/dbraw/zinc/18/09/46/356180946.db2.gz HMFUXXQDEOPQQE-KNVOCYPGSA-N 0 1 284.272 -0.552 20 5 CBBDMN O=C(N[C@@H]1COC[C@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000297068763 200077500 /nfs/dbraw/zinc/07/75/00/200077500.db2.gz VEKRCTCHWNVRHI-NXEZZACHSA-N 0 1 292.251 -0.039 20 5 CBBDMN CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000341797412 216108006 /nfs/dbraw/zinc/10/80/06/216108006.db2.gz KVNYFOULJOQQAZ-SECBINFHSA-N 0 1 282.304 -0.261 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@]2(CCOC2)C1 ZINC000375089053 296065673 /nfs/dbraw/zinc/06/56/73/296065673.db2.gz XSKORODLMZXYDC-WCABBAIRSA-N 0 1 256.258 -0.331 20 5 CBBDMN COc1ccc(NC(=O)CNC(CO)CO)c([N+](=O)[O-])c1 ZINC000574171070 334998206 /nfs/dbraw/zinc/99/82/06/334998206.db2.gz VEEFTXHATLXMBJ-UHFFFAOYSA-N 0 1 299.283 -0.515 20 5 CBBDMN CN1CCN(C)[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330689813 203121994 /nfs/dbraw/zinc/12/19/94/203121994.db2.gz FHIOJCJFQVOWJK-SNVBAGLBSA-N 0 1 281.316 -0.102 20 5 CBBDMN CN1CCN(C)[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000330693412 203123662 /nfs/dbraw/zinc/12/36/62/203123662.db2.gz HWENGLJRSZTPNZ-JTQLQIEISA-N 0 1 296.331 -0.847 20 5 CBBDMN O=C(NC[C@@H](O)COCC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000344030769 217017625 /nfs/dbraw/zinc/01/76/25/217017625.db2.gz MJXIJZBSJVJDPE-MRVPVSSYSA-N 0 1 284.272 -0.165 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@](C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000358351540 373172638 /nfs/dbraw/zinc/17/26/38/373172638.db2.gz GBSLIGMLRDWSPA-NSHDSACASA-N 0 1 281.272 -0.036 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000360738716 373231380 /nfs/dbraw/zinc/23/13/80/373231380.db2.gz LAMFZQMDXKCTCC-IMSYWVGJSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000363595177 373501069 /nfs/dbraw/zinc/50/10/69/373501069.db2.gz LZSSZGLCSCEOLQ-FXQIFTODSA-N 0 1 267.241 -0.942 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2=O)cn1 ZINC000363601240 373501192 /nfs/dbraw/zinc/50/11/92/373501192.db2.gz UZRIUPCQTYCNIY-UWVGGRQHSA-N 0 1 293.283 -0.740 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000363595178 373501738 /nfs/dbraw/zinc/50/17/38/373501738.db2.gz LZSSZGLCSCEOLQ-PRJMDXOYSA-N 0 1 267.241 -0.942 20 5 CBBDMN COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000363332453 373486595 /nfs/dbraw/zinc/48/65/95/373486595.db2.gz YCWLEPIALSQAEF-IWSPIJDZSA-N 0 1 272.257 -0.558 20 5 CBBDMN COC(=O)[C@]12CN(C(=O)[C@H]3CC3[N+](=O)[O-])C[C@H]1COCC2 ZINC000373669872 373560344 /nfs/dbraw/zinc/56/03/44/373560344.db2.gz PRHKURBGYHSXOA-QISWUMQESA-N 0 1 298.295 -0.310 20 5 CBBDMN COC(=O)[C@H]1CN(C)CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000413505580 373621668 /nfs/dbraw/zinc/62/16/68/373621668.db2.gz VBGIFJXAPMVXQJ-VIFPVBQESA-N 0 1 297.315 -0.131 20 5 CBBDMN COCCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000364936241 248714124 /nfs/dbraw/zinc/71/41/24/248714124.db2.gz RQRVCTABLGPOLJ-NXEZZACHSA-N 0 1 285.300 -0.641 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000267969596 190365772 /nfs/dbraw/zinc/36/57/72/190365772.db2.gz UCZUFYWYVONAMD-UHFFFAOYSA-N 0 1 283.288 -0.624 20 5 CBBDMN CCC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1nn[nH]n1 ZINC000268254154 190390326 /nfs/dbraw/zinc/39/03/26/190390326.db2.gz XOJRFAAVGIUBQD-SSDOTTSWSA-N 0 1 294.275 -0.038 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CCc3nn[nH]c3C2)n1 ZINC000429309795 208119635 /nfs/dbraw/zinc/11/96/35/208119635.db2.gz VFCUDGKBQFSIIY-UHFFFAOYSA-N 0 1 263.261 -0.032 20 5 CBBDMN O=C(NC1(c2nn[nH]n2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000430322752 208155495 /nfs/dbraw/zinc/15/54/95/208155495.db2.gz RRUDRYZMJGSSRF-UHFFFAOYSA-N 0 1 263.217 -0.145 20 5 CBBDMN COC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000377482750 533650333 /nfs/dbraw/zinc/65/03/33/533650333.db2.gz SDMNHHMMDOHGIS-HRDYMLBCSA-N 0 1 272.257 -0.558 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)CCNC(=O)N(C)C)c1[N+](=O)[O-] ZINC000355863927 533659336 /nfs/dbraw/zinc/65/93/36/533659336.db2.gz MWNJNNJXGCAOME-UHFFFAOYSA-N 0 1 298.303 -0.030 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@]12CCOC2 ZINC000367010904 226380703 /nfs/dbraw/zinc/38/07/03/226380703.db2.gz OHKTZPWWIGWEKH-KKZNHRDASA-N 0 1 256.258 -0.331 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000264184994 419603182 /nfs/dbraw/zinc/60/31/82/419603182.db2.gz ALXXQPYPJDDEGI-LURJTMIESA-N 0 1 267.245 -0.413 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000359489866 419968624 /nfs/dbraw/zinc/96/86/24/419968624.db2.gz HWWBKJBXRJSTCY-UHFFFAOYSA-N 0 1 279.260 -0.273 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@]1(CO)CCOC1 ZINC000359608343 419977037 /nfs/dbraw/zinc/97/70/37/419977037.db2.gz ZAQFOFDBNDQLKL-CYBMUJFWSA-N 0 1 297.311 -0.160 20 5 CBBDMN Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000360272072 420013964 /nfs/dbraw/zinc/01/39/64/420013964.db2.gz XNAATQSBYJGEIT-IWSPIJDZSA-N 0 1 265.273 -0.317 20 5 CBBDMN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000365272902 420057899 /nfs/dbraw/zinc/05/78/99/420057899.db2.gz MZGCBJOQBQPHJG-HRDYMLBCSA-N 0 1 291.329 -0.808 20 5 CBBDMN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000365272905 420058029 /nfs/dbraw/zinc/05/80/29/420058029.db2.gz MZGCBJOQBQPHJG-VGMNWLOBSA-N 0 1 291.329 -0.808 20 5 CBBDMN Cc1nnc2n1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000365331106 420061446 /nfs/dbraw/zinc/06/14/46/420061446.db2.gz ZQHLPFTUHGCZSV-HTQZYQBOSA-N 0 1 251.246 -0.406 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@@H]2CCOC2)CC1 ZINC000366052574 420075470 /nfs/dbraw/zinc/07/54/70/420075470.db2.gz LSOIRLLVSICKNZ-MXWKQRLJSA-N 0 1 269.301 -0.415 20 5 CBBDMN Cn1cnc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000370744536 420184383 /nfs/dbraw/zinc/18/43/83/420184383.db2.gz GZPFARXUGMXKSW-XCBNKYQSSA-N 0 1 250.258 -0.030 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(Nc2cccnn2)CC1 ZINC000373955059 420191842 /nfs/dbraw/zinc/19/18/42/420191842.db2.gz UDIJVLOBXHRQEW-WDEREUQCSA-N 0 1 291.311 0.545 20 5 CBBDMN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000370221129 420173558 /nfs/dbraw/zinc/17/35/58/420173558.db2.gz SMDXNBYRLYRLRM-VGMNWLOBSA-N 0 1 296.283 -0.854 20 5 CBBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000419007284 420243319 /nfs/dbraw/zinc/24/33/19/420243319.db2.gz RICBERHOTZAWQF-DTWKUNHWSA-N 0 1 296.331 -0.142 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000493445073 420315087 /nfs/dbraw/zinc/31/50/87/420315087.db2.gz QDXPZFPGMPGZEJ-SSDOTTSWSA-N 0 1 295.255 -0.097 20 5 CBBDMN O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000519707277 420386344 /nfs/dbraw/zinc/38/63/44/420386344.db2.gz CJYYYHGSOHBVAH-VIFPVBQESA-N 0 1 296.283 -0.196 20 5 CBBDMN CN(C)C1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000569353789 420452646 /nfs/dbraw/zinc/45/26/46/420452646.db2.gz YYVLVKMPKNAKDW-UHFFFAOYSA-N 0 1 265.273 -0.042 20 5 CBBDMN Nc1ccc(NCC[N@H+]2CC[C@@H](O)C2)nc1[N+](=O)[O-] ZINC000599176026 420491400 /nfs/dbraw/zinc/49/14/00/420491400.db2.gz ORPFGUQNKZXXHQ-MRVPVSSYSA-N 0 1 267.289 0.051 20 5 CBBDMN CN1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000285642837 277152985 /nfs/dbraw/zinc/15/29/85/277152985.db2.gz FLVBLHBFVKPUGN-UWVGGRQHSA-N 0 1 295.299 -0.137 20 5 CBBDMN CN1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000285751232 277179856 /nfs/dbraw/zinc/17/98/56/277179856.db2.gz LMHDYKWURQAWEF-NXEZZACHSA-N 0 1 295.299 -0.137 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]3C(=O)NC[C@@H]32)c1[N+](=O)[O-] ZINC000337155581 280187868 /nfs/dbraw/zinc/18/78/68/280187868.db2.gz UVJSDUTUASXKFH-YUMQZZPRSA-N 0 1 293.283 -0.023 20 5 CBBDMN CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000579709872 335870106 /nfs/dbraw/zinc/87/01/06/335870106.db2.gz MCTUMOLXQQDTKM-SECBINFHSA-N 0 1 295.299 -0.671 20 5 CBBDMN C[C@H]1NCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000581370841 336063295 /nfs/dbraw/zinc/06/32/95/336063295.db2.gz DQTYQVICKUMNBV-ZJUUUORDSA-N 0 1 294.311 -0.035 20 5 CBBDMN CCc1n[nH]c(C(=O)NC2(c3nn[nH]n3)CC2)c1[N+](=O)[O-] ZINC000357081825 536002446 /nfs/dbraw/zinc/00/24/46/536002446.db2.gz WGFBHLHYVUSSFK-UHFFFAOYSA-N 0 1 292.259 -0.188 20 5 CBBDMN C[N@H+](CC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818402477 582507499 /nfs/dbraw/zinc/50/74/99/582507499.db2.gz OGBALDVAKGMWJA-MRVPVSSYSA-N 0 1 258.234 -0.831 20 5 CBBDMN C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)[O-] ZINC000820597496 582576050 /nfs/dbraw/zinc/57/60/50/582576050.db2.gz UVOOKWIOJLLIDX-UHFFFAOYSA-N 0 1 255.230 -0.227 20 5 CBBDMN O=C(N[C@H]1CCc2cncn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000824116644 582687542 /nfs/dbraw/zinc/68/75/42/582687542.db2.gz MMJNQVYLCZOTAP-FXBDTBDDSA-N 0 1 250.258 -0.021 20 5 CBBDMN C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828442048 582856153 /nfs/dbraw/zinc/85/61/53/582856153.db2.gz XCUXWYROEUFIOT-IEBDPFPHSA-N 0 1 298.299 -0.195 20 5 CBBDMN CC(C)NC(=O)NCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000829279613 582884466 /nfs/dbraw/zinc/88/44/66/582884466.db2.gz VVTVGGBTAWADSF-HTQZYQBOSA-N 0 1 259.262 -0.098 20 5 CBBDMN O=C([O-])N[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000832386795 583023442 /nfs/dbraw/zinc/02/34/42/583023442.db2.gz MULTZLLTNZBDOU-WCBMZHEXSA-N 0 1 299.287 -0.506 20 5 CBBDMN NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839578026 583156779 /nfs/dbraw/zinc/15/67/79/583156779.db2.gz JJLODINVFROEIT-OUAUKWLOSA-N 0 1 277.280 -0.136 20 5 CBBDMN C[C@H]([C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC000839658990 583157284 /nfs/dbraw/zinc/15/72/84/583157284.db2.gz WCBZAJMQVTZUJH-LNFKQOIKSA-N 0 1 271.317 -0.123 20 5 CBBDMN O=C(NCCOC[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839684392 583157679 /nfs/dbraw/zinc/15/76/79/583157679.db2.gz WADRXXOHBVFLNU-IVZWLZJFSA-N 0 1 258.274 -0.037 20 5 CBBDMN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839679200 583157850 /nfs/dbraw/zinc/15/78/50/583157850.db2.gz GGURLMKRYWHWFU-FSDSQADBSA-N 0 1 295.217 -0.069 20 5 CBBDMN CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717943 583158484 /nfs/dbraw/zinc/15/84/84/583158484.db2.gz PSZCJIAXUJPNJS-IWSPIJDZSA-N 0 1 255.274 -0.221 20 5 CBBDMN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711815 583158500 /nfs/dbraw/zinc/15/85/00/583158500.db2.gz ADTVWIZLZLHTMN-IWSPIJDZSA-N 0 1 291.329 -0.808 20 5 CBBDMN CCO[C@H]1COCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726177 583158617 /nfs/dbraw/zinc/15/86/17/583158617.db2.gz NVWOYOOQTUVLPR-KYXWUPHJSA-N 0 1 258.274 -0.038 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](OCCO)C1 ZINC000839730919 583158683 /nfs/dbraw/zinc/15/86/83/583158683.db2.gz KJMLEFWMOLJKDP-IVZWLZJFSA-N 0 1 258.274 -0.349 20 5 CBBDMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000839746840 583159258 /nfs/dbraw/zinc/15/92/58/583159258.db2.gz MMBDPRQQONEHPJ-OPRDCNLKSA-N 0 1 258.274 -0.085 20 5 CBBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000839759680 583159567 /nfs/dbraw/zinc/15/95/67/583159567.db2.gz PQHHJCZTDWXSLL-IWSPIJDZSA-N 0 1 283.284 -0.353 20 5 CBBDMN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762578 583159798 /nfs/dbraw/zinc/15/97/98/583159798.db2.gz SMSGCLMWHYFIJJ-DDHJBXDOSA-N 0 1 283.328 -0.027 20 5 CBBDMN O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839793585 583159891 /nfs/dbraw/zinc/15/98/91/583159891.db2.gz UYYZHSQFUZUIRL-QCLAVDOMSA-N 0 1 267.285 -0.079 20 5 CBBDMN O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC1[N+](=O)[O-] ZINC000839782474 583159898 /nfs/dbraw/zinc/15/98/98/583159898.db2.gz KNWMENCHFFEVMJ-LMLFDSFASA-N 0 1 269.301 -0.369 20 5 CBBDMN COC(=O)[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840375027 583164307 /nfs/dbraw/zinc/16/43/07/583164307.db2.gz CLSOREUKJYJURF-BWZBUEFSSA-N 0 1 258.230 -0.948 20 5 CBBDMN NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840378246 583164386 /nfs/dbraw/zinc/16/43/86/583164386.db2.gz CKYXTOAKPWOBBZ-JQCXWYLXSA-N 0 1 255.274 -0.188 20 5 CBBDMN C[C@H](O)C[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840418049 583164872 /nfs/dbraw/zinc/16/48/72/583164872.db2.gz DQQCKJUTAPLPJH-SGIHWFKDSA-N 0 1 258.274 -0.350 20 5 CBBDMN CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840445686 583165084 /nfs/dbraw/zinc/16/50/84/583165084.db2.gz LNBZGFCDHTWSEY-SGIHWFKDSA-N 0 1 274.317 -0.074 20 5 CBBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000840673236 583166675 /nfs/dbraw/zinc/16/66/75/583166675.db2.gz VGKLSBVTIVZAQQ-SGIHWFKDSA-N 0 1 286.284 -0.122 20 5 CBBDMN COC(=O)c1cnccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841200403 583168739 /nfs/dbraw/zinc/16/87/39/583168739.db2.gz GMHCXRJEZHYAMW-HZGVNTEJSA-N 0 1 265.225 -0.106 20 5 CBBDMN O=C(O[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842329044 583183191 /nfs/dbraw/zinc/18/31/91/583183191.db2.gz RZATUXHNHDQDFG-IWSPIJDZSA-N 0 1 254.242 -0.042 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000844114809 583252334 /nfs/dbraw/zinc/25/23/34/583252334.db2.gz LGQZKGNXFFNEKK-BZNPZCIMSA-N 0 1 272.257 -0.966 20 5 CBBDMN Cn1nccc1[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845000732 583286181 /nfs/dbraw/zinc/28/61/81/583286181.db2.gz MEWFXWLKCLOVCD-FBIMIBRVSA-N 0 1 280.284 -0.015 20 5 CBBDMN COC[C@@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849392356 583479509 /nfs/dbraw/zinc/47/95/09/583479509.db2.gz GSXHFISLLSCQRA-ZETCQYMHSA-N 0 1 291.285 -0.725 20 5 CBBDMN NS(=O)(=O)c1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC000849806623 583489132 /nfs/dbraw/zinc/48/91/32/583489132.db2.gz ISPFDYGWRUBJQY-RNFRBKRXSA-N 0 1 290.253 -0.365 20 5 CBBDMN COC[C@@]1(C(=O)OC)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855377479 583636768 /nfs/dbraw/zinc/63/67/68/583636768.db2.gz QWJRTBHEZDRWJF-KBVBSXBZSA-N 0 1 286.284 -0.168 20 5 CBBDMN NC(=O)c1csc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000855873008 583649164 /nfs/dbraw/zinc/64/91/64/583649164.db2.gz MXWNZLSCNARITG-INEUFUBQSA-N 0 1 270.270 -0.477 20 5 CBBDMN C[C@@H](CS(=O)(=O)N(C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861146592 583761513 /nfs/dbraw/zinc/76/15/13/583761513.db2.gz RZFAVHQTBHQMIT-XLPZGREQSA-N 0 1 280.302 -0.525 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000862867095 583825335 /nfs/dbraw/zinc/82/53/35/583825335.db2.gz VFTVZHKTMUBYED-BGZDPUMWSA-N 0 1 272.257 -0.560 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000863762201 583854611 /nfs/dbraw/zinc/85/46/11/583854611.db2.gz KJNUOZPAAFTBOY-RNFRBKRXSA-N 0 1 280.240 -0.129 20 5 CBBDMN COC(=O)[C@@H]1[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(F)F ZINC000881826839 584298572 /nfs/dbraw/zinc/29/85/72/584298572.db2.gz SKUDMFKDUCXTBN-UCROKIRRSA-N 0 1 278.211 -0.178 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)N2CCC[C@H]21 ZINC000888161161 584484746 /nfs/dbraw/zinc/48/47/46/584484746.db2.gz HTAMARUNMXXEAD-IWSPIJDZSA-N 0 1 253.258 -0.168 20 5 CBBDMN CC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976479639 613901840 /nfs/dbraw/zinc/90/18/40/613901840.db2.gz AAOLOJRBRUABPI-NZFPMDFQSA-N 0 1 281.312 -0.119 20 5 CBBDMN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976193139 613962783 /nfs/dbraw/zinc/96/27/83/613962783.db2.gz XBAICJFUNRVEEZ-NZFPMDFQSA-N 0 1 281.312 -0.119 20 5 CBBDMN CCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954240619 614490224 /nfs/dbraw/zinc/49/02/24/614490224.db2.gz UAURZDDCSFKTLL-RKDXNWHRSA-N 0 1 255.274 -0.269 20 5 CBBDMN CN(C(=O)c1cn[nH]c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953791080 615922634 /nfs/dbraw/zinc/92/26/34/615922634.db2.gz SCFSZKZAWCOORN-NXEZZACHSA-N 0 1 293.283 -0.642 20 5 CBBDMN COCC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953927141 616547628 /nfs/dbraw/zinc/54/76/28/616547628.db2.gz SCKKHYGRTSFIDY-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000230870037 656112630 /nfs/dbraw/zinc/11/26/30/656112630.db2.gz UHBGXRUGPNGJLG-UHFFFAOYSA-N 0 1 264.205 -0.985 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])n1 ZINC000582854478 656173930 /nfs/dbraw/zinc/17/39/30/656173930.db2.gz OQRBDNYUBIBAOI-UHFFFAOYSA-N 0 1 291.271 -0.029 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1COC[C@H]1O ZINC000708609356 656194292 /nfs/dbraw/zinc/19/42/92/656194292.db2.gz NULDDRSRNBHIQR-NXEZZACHSA-N 0 1 270.289 -0.209 20 5 CBBDMN CS(=O)(=O)N1CCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905189354 656344830 /nfs/dbraw/zinc/34/48/30/656344830.db2.gz RUQZMIQIWZFMGJ-MRVPVSSYSA-N 0 1 251.308 -0.723 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nccs1 ZINC000998303529 656524099 /nfs/dbraw/zinc/52/40/99/656524099.db2.gz YPYAELYUAYIVRC-HTQZYQBOSA-N 0 1 296.308 -0.251 20 5 CBBDMN O=C(NCC1CN(C(=O)c2cc[nH]c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001805617 656822095 /nfs/dbraw/zinc/82/20/95/656822095.db2.gz PGZAOIOOIZOMJU-GHMZBOCLSA-N 0 1 292.295 -0.132 20 5 CBBDMN O=C(NCC1CN(C(=O)c2ccn[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001795871 656822402 /nfs/dbraw/zinc/82/24/02/656822402.db2.gz LUSLNXSMIQXJOA-PSASIEDQSA-N 0 1 293.283 -0.737 20 5 CBBDMN O=C(NCC1CN(C(=O)c2cc[nH]n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001795871 656822404 /nfs/dbraw/zinc/82/24/04/656822404.db2.gz LUSLNXSMIQXJOA-PSASIEDQSA-N 0 1 293.283 -0.737 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNC[C@H]1C ZINC000911724009 657116116 /nfs/dbraw/zinc/11/61/16/657116116.db2.gz KGMVMGZBQUJJLS-MRVPVSSYSA-N 0 1 267.289 -0.080 20 5 CBBDMN Cc1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001020139101 658016657 /nfs/dbraw/zinc/01/66/57/658016657.db2.gz QNBYDDWWJJLBMV-ZYUZMQFOSA-N 0 1 295.299 -0.220 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccn1 ZINC000990046712 659656914 /nfs/dbraw/zinc/65/69/14/659656914.db2.gz JQDSXLVZHOGWLH-MWLCHTKSSA-N 0 1 290.279 -0.313 20 5 CBBDMN Cc1[nH]ccc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991278193 659829248 /nfs/dbraw/zinc/82/92/48/659829248.db2.gz GABRKRVXFXHXJS-GHMZBOCLSA-N 0 1 292.295 -0.071 20 5 CBBDMN C/C=C(\C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991278451 659829302 /nfs/dbraw/zinc/82/93/02/659829302.db2.gz HRWJMSGCWNNJAX-ZCZHLORFSA-N 0 1 267.285 -0.055 20 5 CBBDMN O=C(NC1CN(C(=O)C2=COCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991281451 659829708 /nfs/dbraw/zinc/82/97/08/659829708.db2.gz UCZOHZXZHMUVFZ-GHMZBOCLSA-N 0 1 295.295 -0.327 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccoc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991280365 659829776 /nfs/dbraw/zinc/82/97/76/659829776.db2.gz QGBPSAODDPQTQO-NXEZZACHSA-N 0 1 279.252 -0.115 20 5 CBBDMN O=C(NC1CN(C(=O)c2cnco2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991286534 659830173 /nfs/dbraw/zinc/83/01/73/659830173.db2.gz BUYVWCRTFYQQGU-HTQZYQBOSA-N 0 1 280.240 -0.720 20 5 CBBDMN O=C(NC1CN(C(=O)c2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991293165 659830909 /nfs/dbraw/zinc/83/09/09/659830909.db2.gz LCLZQKJPURILDC-RKDXNWHRSA-N 0 1 291.267 -0.918 20 5 CBBDMN Cn1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000991729784 659843096 /nfs/dbraw/zinc/84/30/96/659843096.db2.gz QHZQXAXGOIEUSQ-PSASIEDQSA-N 0 1 293.283 -0.974 20 5 CBBDMN Cc1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC001030292712 799290825 /nfs/dbraw/zinc/29/08/25/799290825.db2.gz TZPCJTUBHKJESP-VXGBXAGGSA-N 0 1 293.327 -0.306 20 5 CBBDMN Cc1conc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030293729 799291629 /nfs/dbraw/zinc/29/16/29/799291629.db2.gz QLEBZKJFCONQLY-MWLCHTKSSA-N 0 1 280.284 -0.051 20 5 CBBDMN CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001041512226 801398374 /nfs/dbraw/zinc/39/83/74/801398374.db2.gz XILRGEYADSVZJT-NXEZZACHSA-N 0 1 299.327 -0.469 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NC2CC2)C1 ZINC001042704909 801510383 /nfs/dbraw/zinc/51/03/83/801510383.db2.gz BDIIAENPHVTJTD-GHMZBOCLSA-N 0 1 296.327 -0.927 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cnnn2C)C1 ZINC001042704927 801511513 /nfs/dbraw/zinc/51/15/13/801511513.db2.gz CCPJZAYJHSUQNJ-GHMZBOCLSA-N 0 1 294.315 -0.877 20 5 CBBDMN CN1C(=S)N=NC1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001144558318 814776779 /nfs/dbraw/zinc/77/67/79/814776779.db2.gz PLBVBFHWMZZTRH-RFZPGFLSSA-N 0 1 257.275 -0.615 20 5 CBBDMN COCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989395 805029602 /nfs/dbraw/zinc/02/96/02/805029602.db2.gz BXZJZNAMNYYLFI-RKDXNWHRSA-N 0 1 285.300 -0.547 20 5 CBBDMN COCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066622521 805109847 /nfs/dbraw/zinc/10/98/47/805109847.db2.gz AXTHBBUKVMDANT-NXEZZACHSA-N 0 1 287.316 -0.395 20 5 CBBDMN CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074583863 805459902 /nfs/dbraw/zinc/45/99/02/805459902.db2.gz QLKJUMCHDODITA-NXEZZACHSA-N 0 1 285.300 -0.859 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Cc2nn[nH]n2)CC1 ZINC001153908102 815188297 /nfs/dbraw/zinc/18/82/97/815188297.db2.gz XIVSNVDIWLTFHZ-RKDXNWHRSA-N 0 1 280.288 -0.354 20 5 CBBDMN O=C(Cc1nnc[nH]1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093851901 810685659 /nfs/dbraw/zinc/68/56/59/810685659.db2.gz PNRHCCQNYJEAES-UHFFFAOYSA-N 0 1 291.271 -0.121 20 5 CBBDMN O=C(NCCCNCc1nncs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767801 815462756 /nfs/dbraw/zinc/46/27/56/815462756.db2.gz VFDRXTGXPLAUNJ-HTQZYQBOSA-N 0 1 285.329 -0.201 20 5 CBBDMN CCc1nc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001157761122 815462809 /nfs/dbraw/zinc/46/28/09/815462809.db2.gz NQSRQIVGXWXFMN-RKDXNWHRSA-N 0 1 297.315 -0.107 20 5 CBBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nnnc2CN)n1 ZINC001158079938 815502595 /nfs/dbraw/zinc/50/25/95/815502595.db2.gz DPYVFQXHJXFTQX-UHFFFAOYSA-N 0 1 293.247 -0.914 20 5 CBBDMN CN(C)C(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001116414799 812257087 /nfs/dbraw/zinc/25/70/87/812257087.db2.gz UXIZCVNCBXPQRF-UHFFFAOYSA-N 0 1 255.234 -0.474 20 5 CBBDMN Cn1cc([C@H](CO)NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC001116502803 812269465 /nfs/dbraw/zinc/26/94/65/812269465.db2.gz CYTDSPMOUKUHIQ-ZETCQYMHSA-N 0 1 280.244 -0.485 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2[nH]nnc2C1 ZINC001116722053 812302807 /nfs/dbraw/zinc/30/28/07/812302807.db2.gz DCUSTCGQFXRCDU-UHFFFAOYSA-N 0 1 277.244 -0.355 20 5 CBBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001117737933 812441187 /nfs/dbraw/zinc/44/11/87/812441187.db2.gz XUVQGWJHZHOZTB-RKDXNWHRSA-N 0 1 295.299 -0.401 20 5 CBBDMN NC(=O)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125080759 813516510 /nfs/dbraw/zinc/51/65/10/813516510.db2.gz XNSSAPLFEXNZEQ-UHFFFAOYSA-N 0 1 286.313 -0.263 20 5 CBBDMN CCn1c(C)nnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932019 813694299 /nfs/dbraw/zinc/69/42/99/813694299.db2.gz FIILYHZOEFMGKE-NXEZZACHSA-N 0 1 296.331 -0.523 20 5 CBBDMN Cc1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126932077 813695184 /nfs/dbraw/zinc/69/51/84/813695184.db2.gz HHTSZUBUIUGQOP-HTQZYQBOSA-N 0 1 269.261 -0.751 20 5 CBBDMN O=C(NCCNCc1noc(C2CC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126949389 813696761 /nfs/dbraw/zinc/69/67/61/813696761.db2.gz QHJMKNJQKUJSJL-RKDXNWHRSA-N 0 1 295.299 -0.182 20 5 CBBDMN CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001127158979 813717927 /nfs/dbraw/zinc/71/79/27/813717927.db2.gz CCTYDNRSNPZXFU-GMTAPVOTSA-N 0 1 269.301 -0.022 20 5 CBBDMN O=C(NCCC1CS(=O)(=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001128142894 813761159 /nfs/dbraw/zinc/76/11/59/813761159.db2.gz WKGPAHIMNVYREA-HTQZYQBOSA-N 0 1 262.287 -0.798 20 5 CBBDMN NC(=O)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133205902 814229354 /nfs/dbraw/zinc/22/93/54/814229354.db2.gz BUHRATDIFUMYKD-UHFFFAOYSA-N 0 1 266.257 -0.714 20 5 CBBDMN NC(=O)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001133206433 814231063 /nfs/dbraw/zinc/23/10/63/814231063.db2.gz QJBCBZAVIWKAMB-UHFFFAOYSA-N 0 1 266.257 -0.714 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@]2(CCOC2=O)C1 ZINC001135068769 814432700 /nfs/dbraw/zinc/43/27/00/814432700.db2.gz QPXSKEDMHAKDKW-XLDPMVHQSA-N 0 1 254.242 -0.183 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CCOC2=O)C1 ZINC001135068768 814433178 /nfs/dbraw/zinc/43/31/78/814433178.db2.gz QPXSKEDMHAKDKW-SOCHQFKDSA-N 0 1 254.242 -0.183 20 5 CBBDMN CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001138070821 814598454 /nfs/dbraw/zinc/59/84/54/814598454.db2.gz DAQHAZKGIKKDKS-XSSZXYGBSA-N 0 1 260.246 -0.918 20 5 CBBDMN O=C(N[C@@H]1CCNC(=O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001142586096 814721631 /nfs/dbraw/zinc/72/16/31/814721631.db2.gz WKRKNDGISDHIMH-LURJTMIESA-N 0 1 267.245 -0.284 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)CC2)n1 ZINC001290407935 816434063 /nfs/dbraw/zinc/43/40/63/816434063.db2.gz FDGOFLYLBOWRBP-UHFFFAOYSA-N 0 1 296.331 -0.695 20 5 CBBDMN Cc1nnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC001291703211 816440638 /nfs/dbraw/zinc/44/06/38/816440638.db2.gz KBRMDDJUSIMVJV-UHFFFAOYSA-N 0 1 252.190 -0.061 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC001293100744 816504989 /nfs/dbraw/zinc/50/49/89/816504989.db2.gz CIAJEZIYMHSDIP-GHMZBOCLSA-N 0 1 292.295 -0.017 20 5 CBBDMN CN(CCNC(=O)c1cn[nH]c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296007099 816595763 /nfs/dbraw/zinc/59/57/63/816595763.db2.gz HSXPFLSFVQZRRS-RKDXNWHRSA-N 0 1 281.272 -0.737 20 5 CBBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cocn1 ZINC001296301629 816607945 /nfs/dbraw/zinc/60/79/45/816607945.db2.gz XTHPYNYNHSOAHJ-PSASIEDQSA-N 0 1 296.283 -0.082 20 5 CBBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)COC ZINC001296501593 816613212 /nfs/dbraw/zinc/61/32/12/816613212.db2.gz FQNYUPNTDHKEDV-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN CC(C)(O)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299152116 816711942 /nfs/dbraw/zinc/71/19/42/816711942.db2.gz HWGQJTHXZVKXLY-RKDXNWHRSA-N 0 1 299.327 -0.422 20 5 CBBDMN O=C(N[C@@H](CO)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001299580928 816729363 /nfs/dbraw/zinc/72/93/63/816729363.db2.gz UESBHHKORATMON-KXUCPTDWSA-N 0 1 251.242 -0.104 20 5 CBBDMN Cn1cncc1[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001301547394 816748950 /nfs/dbraw/zinc/74/89/50/816748950.db2.gz KHYVOMCEBIAXED-GJMOJQLCSA-N 0 1 254.246 -0.765 20 5 CBBDMN COC1(c2cnnn2C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001303254284 816764361 /nfs/dbraw/zinc/76/43/61/816764361.db2.gz PTRYQAPKAKNTBE-HTQZYQBOSA-N 0 1 281.272 -0.836 20 5 CBBDMN CC(=O)N[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857863 816815253 /nfs/dbraw/zinc/81/52/53/816815253.db2.gz ZZTHNRAUZKEMRV-PWSUYJOCSA-N 0 1 297.315 -0.637 20 5 CBBDMN CCc1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC001318533657 817119447 /nfs/dbraw/zinc/11/94/47/817119447.db2.gz DMUNQOCJXGPCHQ-UHFFFAOYSA-N 0 1 279.260 -0.212 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCS(=O)CC2)c1[N+](=O)[O-] ZINC001318607745 817127732 /nfs/dbraw/zinc/12/77/32/817127732.db2.gz KVSITBKWJRDXTO-UHFFFAOYSA-N 0 1 272.286 -0.169 20 5 CBBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NCC(F)(F)F ZINC001319701012 817234115 /nfs/dbraw/zinc/23/41/15/817234115.db2.gz KQBLANNCZYBSEL-UHFFFAOYSA-N 0 1 295.177 -0.274 20 5 CBBDMN COC(=O)CN(C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319737812 817239560 /nfs/dbraw/zinc/23/95/60/817239560.db2.gz QYLBSOMPVWPRBI-UHFFFAOYSA-N 0 1 285.260 -0.848 20 5 CBBDMN Cn1cc([C@@H](O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC001320365576 817328280 /nfs/dbraw/zinc/32/82/80/817328280.db2.gz KCHFGQRMUKXAIH-QMMMGPOBSA-N 0 1 280.244 -0.485 20 5 CBBDMN CS(=O)(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001321087529 817440947 /nfs/dbraw/zinc/44/09/47/817440947.db2.gz JCSKHJZKCWFWCO-UHFFFAOYSA-N 0 1 288.285 -0.375 20 5 CBBDMN O=C1NCCN(c2cc([N+](=O)[O-])ccn2)C12CNC2 ZINC001165298577 819952747 /nfs/dbraw/zinc/95/27/47/819952747.db2.gz YLWOEBPLQCANDP-UHFFFAOYSA-N 0 1 263.257 -0.732 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165437450 819962172 /nfs/dbraw/zinc/96/21/72/819962172.db2.gz SCAKMYIHSZZQCP-VIFPVBQESA-N 0 1 282.256 -0.821 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165437449 819962453 /nfs/dbraw/zinc/96/24/53/819962453.db2.gz SCAKMYIHSZZQCP-SECBINFHSA-N 0 1 282.256 -0.821 20 5 CBBDMN COc1nc(C)c(-n2nnnc2CN)cc1[N+](=O)[O-] ZINC001168920367 820190549 /nfs/dbraw/zinc/19/05/49/820190549.db2.gz OEPYPHUTICZCSK-UHFFFAOYSA-N 0 1 265.233 -0.259 20 5 CBBDMN CNc1cc([N+](=O)[O-])cnc1-n1nnnc1CN ZINC001168920929 820192803 /nfs/dbraw/zinc/19/28/03/820192803.db2.gz LPEHWVNQSRNWDD-UHFFFAOYSA-N 0 1 250.222 -0.534 20 5 CBBDMN NC(=O)[C@@H](N)Cc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169008007 820200458 /nfs/dbraw/zinc/20/04/58/820200458.db2.gz QOQNUVUAJJZKHK-GDPRMGEGSA-N 0 1 281.316 -0.144 20 5 CBBDMN NC(=O)[C@@H](N)Cc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169008008 820200582 /nfs/dbraw/zinc/20/05/82/820200582.db2.gz QOQNUVUAJJZKHK-IEBDPFPHSA-N 0 1 281.316 -0.144 20 5 CBBDMN NC(=O)CN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040053 820202348 /nfs/dbraw/zinc/20/23/48/820202348.db2.gz XGMDEPUWLZVMHB-WDEREUQCSA-N 0 1 270.333 -0.465 20 5 CBBDMN O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@H]1COCCN1 ZINC001170046294 820277531 /nfs/dbraw/zinc/27/75/31/820277531.db2.gz XCTHLBZUGROPKY-QMMMGPOBSA-N 0 1 254.246 -0.372 20 5 CBBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170864889 820331418 /nfs/dbraw/zinc/33/14/18/820331418.db2.gz KBVINBWVZFKCIU-JTQLQIEISA-N 0 1 256.262 -0.237 20 5 CBBDMN C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001170952457 820341077 /nfs/dbraw/zinc/34/10/77/820341077.db2.gz MROVVHXTSLOOBF-XWTBWJTNSA-N 0 1 281.268 -0.837 20 5 CBBDMN O=C(N[C@@H](CO)[C@H](O)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001171166039 820348568 /nfs/dbraw/zinc/34/85/68/820348568.db2.gz FPQPRJBOBOOCIJ-LMLFDSFASA-N 0 1 281.268 -0.743 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](O)c1cnc[nH]1 ZINC001177836042 820544426 /nfs/dbraw/zinc/54/44/26/820544426.db2.gz BBLRFYOHBZECKP-VIFPVBQESA-N 0 1 280.244 -0.636 20 5 CBBDMN Cc1ocnc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283198408 828507226 /nfs/dbraw/zinc/50/72/26/828507226.db2.gz YJRWNQHDMQZBOI-RKDXNWHRSA-N 0 1 296.283 -0.116 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC001195012087 824098587 /nfs/dbraw/zinc/09/85/87/824098587.db2.gz GPABCQXXIZBCKO-CYZMBNFOSA-N 0 1 282.296 -0.087 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](O)[C@H](CO)C2)c1 ZINC001195012087 824098590 /nfs/dbraw/zinc/09/85/90/824098590.db2.gz GPABCQXXIZBCKO-CYZMBNFOSA-N 0 1 282.296 -0.087 20 5 CBBDMN C[N+](C)(C)C[C@H](O)CC(=O)OCC[P@](=O)([O-])O ZINC001224603570 825243943 /nfs/dbraw/zinc/24/39/43/825243943.db2.gz ADDIUYMPMHTFMF-MRVPVSSYSA-O 0 1 270.242 -0.836 20 5 CBBDMN C[N+](C)(C)C[C@H](O)CC(=O)OCCCC[P@](=O)([O-])O ZINC001225023256 825253363 /nfs/dbraw/zinc/25/33/63/825253363.db2.gz WMVCQFHKELXTMK-SNVBAGLBSA-O 0 1 298.296 -0.055 20 5 CBBDMN Cc1nc(OC2CS(=O)(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380892 825331439 /nfs/dbraw/zinc/33/14/39/825331439.db2.gz MVFGJHISNJJMHP-UHFFFAOYSA-N 0 1 275.242 -0.425 20 5 CBBDMN Cc1nc(O[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378667 825331635 /nfs/dbraw/zinc/33/16/35/825331635.db2.gz ITPOBZOHFFYKGH-LURJTMIESA-N 0 1 289.269 -0.035 20 5 CBBDMN O=C(N[C@@]1(CCO)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001255999289 825997834 /nfs/dbraw/zinc/99/78/34/825997834.db2.gz QJFJAYPCUFGHPV-JTQLQIEISA-N 0 1 270.245 -0.411 20 5 CBBDMN C[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC001261246005 826500343 /nfs/dbraw/zinc/50/03/43/826500343.db2.gz XPMVHTBAQYLOEI-WHFBIAKZSA-N 0 1 254.202 -0.248 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001261818840 826587312 /nfs/dbraw/zinc/58/73/12/826587312.db2.gz JDFYHPIHNGKGGK-RKDXNWHRSA-N 0 1 295.299 -0.401 20 5 CBBDMN Cn1ncnc1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001261827242 826591041 /nfs/dbraw/zinc/59/10/41/826591041.db2.gz QSTJYRJSADHPQW-UHFFFAOYSA-N 0 1 279.260 -0.191 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnnn1C ZINC001265845290 826928627 /nfs/dbraw/zinc/92/86/27/826928627.db2.gz IWXMVWFCPYPUPZ-GHMZBOCLSA-N 0 1 296.331 -0.582 20 5 CBBDMN CCc1nc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001266272770 826968577 /nfs/dbraw/zinc/96/85/77/826968577.db2.gz BJDLPWPBGPBWHR-RKDXNWHRSA-N 0 1 297.315 -0.155 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nncn1C ZINC001266273522 826969543 /nfs/dbraw/zinc/96/95/43/826969543.db2.gz VNPKCWNBVWDLIX-RKDXNWHRSA-N 0 1 282.304 -0.972 20 5 CBBDMN Cc1ccnc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001267194775 827125912 /nfs/dbraw/zinc/12/59/12/827125912.db2.gz XWIRRJLGXQZFQC-GHMZBOCLSA-N 0 1 293.327 -0.002 20 5 CBBDMN Cc1nn(CCC(=O)N(C)c2nn[nH]n2)c(C)c1[N+](=O)[O-] ZINC001279187068 828318296 /nfs/dbraw/zinc/31/82/96/828318296.db2.gz BPFARPJLUWUEJU-UHFFFAOYSA-N 0 1 294.275 -0.026 20 5 CBBDMN CN(Cc1cnc[nH]1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001329349134 886027709 /nfs/dbraw/zinc/02/77/09/886027709.db2.gz FKVNRVQYLYBATQ-UHFFFAOYSA-N 0 1 265.233 -0.432 20 5 CBBDMN O=C1NC[C@H](O)CC12CCN(CC[N+](=O)[O-])CC2 ZINC001342066044 889704693 /nfs/dbraw/zinc/70/46/93/889704693.db2.gz CRZAJSUXNZWCIN-SECBINFHSA-N 0 1 257.290 -0.774 20 5 CBBDMN CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001042980923 884625449 /nfs/dbraw/zinc/62/54/49/884625449.db2.gz DWNSSRBTKPODHG-RKDXNWHRSA-N 0 1 297.311 -0.859 20 5 CBBDMN C/C=C(\C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976750 884625532 /nfs/dbraw/zinc/62/55/32/884625532.db2.gz RZMBUZFQYGFXTI-ZCFALZCBSA-N 0 1 297.311 -0.693 20 5 CBBDMN Cn1cc([C@@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001447094322 913019474 /nfs/dbraw/zinc/01/94/74/913019474.db2.gz OABBNXIGTGUDIA-IWSPIJDZSA-N 0 1 254.246 -0.765 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001331997175 887079132 /nfs/dbraw/zinc/07/91/32/887079132.db2.gz PBHHLLNSLCTOTG-MRVPVSSYSA-N 0 1 291.271 -0.075 20 5 CBBDMN C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1C ZINC001332477412 887305875 /nfs/dbraw/zinc/30/58/75/887305875.db2.gz KDFPVPVWZOHNPX-NXEZZACHSA-N 0 1 294.311 -0.035 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(O)(CO)CC1 ZINC001333616669 887720354 /nfs/dbraw/zinc/72/03/54/887720354.db2.gz RMTRBOHJEZPKNX-UHFFFAOYSA-N 0 1 297.311 -0.424 20 5 CBBDMN CS(=O)(=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001336411499 888756520 /nfs/dbraw/zinc/75/65/20/888756520.db2.gz FEGJUKUTIWNPES-UHFFFAOYSA-N 0 1 276.274 -0.518 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(n3cncn3)C2)c1[N+](=O)[O-] ZINC001338957863 889221218 /nfs/dbraw/zinc/22/12/18/889221218.db2.gz LHEYCMFUWRIHJO-UHFFFAOYSA-N 0 1 277.244 -0.085 20 5 CBBDMN CCS(=O)(=O)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001341403155 889590437 /nfs/dbraw/zinc/59/04/37/889590437.db2.gz AZLVJLKEPKDLMG-ZCFIWIBFSA-N 0 1 290.301 -0.129 20 5 CBBDMN COC(=O)[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC001350300333 890960627 /nfs/dbraw/zinc/96/06/27/890960627.db2.gz IEOPNKDLAILXDY-BGZDPUMWSA-N 0 1 272.257 -0.560 20 5 CBBDMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001350847552 891057409 /nfs/dbraw/zinc/05/74/09/891057409.db2.gz PUOGBBVGWHOIDP-NXEZZACHSA-N 0 1 286.288 -0.053 20 5 CBBDMN CN(CCCNC(=O)c1cnco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351755811 891180473 /nfs/dbraw/zinc/18/04/73/891180473.db2.gz BDKVLWAPILZIBW-RKDXNWHRSA-N 0 1 296.283 -0.082 20 5 CBBDMN Cn1[nH]c(=O)c2c1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001454364177 914203889 /nfs/dbraw/zinc/20/38/89/914203889.db2.gz KBDSBXPTMIUBPX-HTQZYQBOSA-N 0 1 266.257 -0.324 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC=C(N)N2)c1[N+](=O)[O-] ZINC001455882464 914419494 /nfs/dbraw/zinc/41/94/94/914419494.db2.gz YSWLGGVZMVCIOL-UHFFFAOYSA-N 0 1 252.234 -0.359 20 5 CBBDMN Cc1[nH][nH]c(=O)c1Sc1ncc([N+](=O)[O-])c(N)n1 ZINC001459098330 914705035 /nfs/dbraw/zinc/70/50/35/914705035.db2.gz PNJNISPGFROYIO-RXMQYKEDSA-N 0 1 268.258 -0.067 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2C[C@H](O)[C@@H](CO)C2)c1 ZINC001460220884 914771935 /nfs/dbraw/zinc/77/19/35/914771935.db2.gz MMWZMIXUJVITPL-SCZZXKLOSA-N 0 1 256.262 -0.924 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2C[C@H](O)[C@H](CO)C2)c1 ZINC001460220889 914772661 /nfs/dbraw/zinc/77/26/61/914772661.db2.gz MMWZMIXUJVITPL-WPRPVWTQSA-N 0 1 256.262 -0.924 20 5 CBBDMN CS(=O)(=O)CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001465695360 915060137 /nfs/dbraw/zinc/06/01/37/915060137.db2.gz TYSJAYAVDKJVQD-HTQZYQBOSA-N 0 1 276.314 -0.407 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001469084943 915370522 /nfs/dbraw/zinc/37/05/22/915370522.db2.gz STZYTLDNSUTSJK-JGVFFNPUSA-N 0 1 284.272 -0.558 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC3(C2)CNC(=O)O3)c1[N+](=O)[O-] ZINC001469202992 915389418 /nfs/dbraw/zinc/38/94/18/915389418.db2.gz BYKSAZROOFQZQO-UHFFFAOYSA-N 0 1 281.228 -0.439 20 5 CBBDMN CC(C)(CCC(=O)N1CCOC[C@@H]1c1nn[nH]n1)[N+](=O)[O-] ZINC001470933766 915539297 /nfs/dbraw/zinc/53/92/97/915539297.db2.gz GPOOKIKSFHWULP-MRVPVSSYSA-N 0 1 298.303 -0.065 20 5 CBBDMN COC(=O)C1=NO[C@]2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001471260364 915568715 /nfs/dbraw/zinc/56/87/15/915568715.db2.gz KSNCJUPYXFJPBY-JWKOBGCHSA-N 0 1 297.267 -0.428 20 5 CBBDMN C[C@@H]1CN2CCN1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840891 915646527 /nfs/dbraw/zinc/64/65/27/915646527.db2.gz KSJLKKYAMLQOCF-SFYZADRCSA-N 0 1 280.288 -0.355 20 5 CBBDMN Cn1cnnc1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001472955737 915784311 /nfs/dbraw/zinc/78/43/11/915784311.db2.gz JIHSFKQBBUOBMP-NXEZZACHSA-N 0 1 294.315 -0.876 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](O)[C@H](CO)C1 ZINC001473538942 915831461 /nfs/dbraw/zinc/83/14/61/915831461.db2.gz ZVCKJVAZXZSONQ-GXSJLCMTSA-N 0 1 283.284 -0.959 20 5 CBBDMN O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ncc[nH]2)c1 ZINC001475081661 915908677 /nfs/dbraw/zinc/90/86/77/915908677.db2.gz AAJWPZRUEWMQTK-UHFFFAOYSA-N 0 1 286.273 -0.507 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2cnns2)CC1 ZINC001480356984 916370996 /nfs/dbraw/zinc/37/09/96/916370996.db2.gz OPRNOCAKJPXGSX-NXEZZACHSA-N 0 1 297.340 -0.153 20 5 CBBDMN CN(CCC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001483463957 917571577 /nfs/dbraw/zinc/57/15/77/917571577.db2.gz BKDWCPPENWABHP-HTQZYQBOSA-N 0 1 298.303 -0.886 20 5 CBBDMN CC(=O)NCCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001487573856 918554663 /nfs/dbraw/zinc/55/46/63/918554663.db2.gz TVBUMCWQAQWGJI-NXEZZACHSA-N 0 1 273.289 -0.737 20 5 CBBDMN CC(=O)N(C)CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001487581467 918558216 /nfs/dbraw/zinc/55/82/16/918558216.db2.gz HKUQZQVPAISJIN-NXEZZACHSA-N 0 1 273.289 -0.737 20 5 CBBDMN CCOCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001492087962 919322987 /nfs/dbraw/zinc/32/29/87/919322987.db2.gz BZCZWYXVAQNBMS-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CN(CCCNC(=O)c1ccn[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492281135 919384122 /nfs/dbraw/zinc/38/41/22/919384122.db2.gz JSNLOROSMXRVIC-PSASIEDQSA-N 0 1 295.299 -0.347 20 5 CBBDMN Cc1nonc1CNCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493544894 919576736 /nfs/dbraw/zinc/57/67/36/919576736.db2.gz JQKKQAYDDOWXEW-PSASIEDQSA-N 0 1 283.288 -0.409 20 5 CBBDMN CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496702358 920120358 /nfs/dbraw/zinc/12/03/58/920120358.db2.gz RJHRARXENYMWOV-NXEZZACHSA-N 0 1 286.332 -0.822 20 5 CBBDMN CC(C)OCC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501722054 921055510 /nfs/dbraw/zinc/05/55/10/921055510.db2.gz CQNZUPNCMDBSLS-YIZUVKHSSA-N 0 1 299.327 -0.135 20 5 CBBDMN O=C(COC1CCCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522534532 922452616 /nfs/dbraw/zinc/45/26/16/922452616.db2.gz MXVJVIMWHHPCAQ-GHMZBOCLSA-N 0 1 299.327 -0.157 20 5 CBBDMN CCc1nc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001522596683 922481801 /nfs/dbraw/zinc/48/18/01/922481801.db2.gz KSNVBCPNGYOKJP-VXNVDRBHSA-N 0 1 296.283 -0.252 20 5 CBBDMN COCCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530431874 922935916 /nfs/dbraw/zinc/93/59/16/922935916.db2.gz WVQIFSYKRMPCQH-RKDXNWHRSA-N 0 1 271.273 -0.985 20 5 CBBDMN C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537955989 923239056 /nfs/dbraw/zinc/23/90/56/923239056.db2.gz OQOPEGWACFIUKK-FSDSQADBSA-N 0 1 250.276 -0.799 20 5 CBBDMN COC(=O)C1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001545863336 923325286 /nfs/dbraw/zinc/32/52/86/923325286.db2.gz KZKVNIMOPOMRFU-UHFFFAOYSA-N 0 1 254.202 -0.247 20 5 CBBDMN O=C(NCCc1nnc2n1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001546086661 923333101 /nfs/dbraw/zinc/33/31/01/923333101.db2.gz SOTJSOWGTCCGJV-RKDXNWHRSA-N 0 1 279.300 -0.062 20 5 CBBDMN C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001556211133 924044428 /nfs/dbraw/zinc/04/44/28/924044428.db2.gz YUFVDNCCIOTJBO-XLPZGREQSA-N 0 1 262.287 -0.703 20 5 CBBDMN COC(=O)Cn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC001556269998 924050758 /nfs/dbraw/zinc/05/07/58/924050758.db2.gz GOVJIXXSAIINQU-VXNVDRBHSA-N 0 1 282.256 -0.032 20 5 CBBDMN Cn1c(CNC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]c1=O ZINC001557233057 924114654 /nfs/dbraw/zinc/11/46/54/924114654.db2.gz ZALUYOCEZOIETA-UHFFFAOYSA-N 0 1 271.277 -0.028 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](O)c1cnc[nH]1 ZINC001558343127 924168785 /nfs/dbraw/zinc/16/87/85/924168785.db2.gz WKDGVCAPCOMAJQ-QMMMGPOBSA-N 0 1 280.244 -0.636 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376431699 230251408 /nfs/dbraw/zinc/25/14/08/230251408.db2.gz AMFFWSWTHYJTGM-JQCXWYLXSA-N 0 1 274.298 -0.703 20 5 CBBDMN C[C@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000125627092 187194112 /nfs/dbraw/zinc/19/41/12/187194112.db2.gz XFWDKEFPGLIUNT-VIFPVBQESA-N 0 1 280.284 -0.423 20 5 CBBDMN COC[C@](C)(CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000351629583 219154278 /nfs/dbraw/zinc/15/42/78/219154278.db2.gz CILBZGRDTJFFCE-JTQLQIEISA-N 0 1 272.261 -0.165 20 5 CBBDMN CCNC(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000351772148 219202377 /nfs/dbraw/zinc/20/23/77/219202377.db2.gz YERWCAPJMIGXDT-UHFFFAOYSA-N 0 1 270.249 -0.633 20 5 CBBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)CN ZINC000037629004 351401206 /nfs/dbraw/zinc/40/12/06/351401206.db2.gz QSPWXDXZVZLNDB-UHFFFAOYSA-N 0 1 266.257 -0.083 20 5 CBBDMN CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000044383762 351445358 /nfs/dbraw/zinc/44/53/58/351445358.db2.gz GQADLXJNBMXHQG-ZJUUUORDSA-N 0 1 255.274 -0.268 20 5 CBBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)CN ZINC000037810275 351407010 /nfs/dbraw/zinc/40/70/10/351407010.db2.gz OAWHNLHXEMRHNJ-UHFFFAOYSA-N 0 1 280.284 -0.372 20 5 CBBDMN Cn1c(C(=O)NCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000037921099 351411629 /nfs/dbraw/zinc/41/16/29/351411629.db2.gz CCRLQJLKFVLIGJ-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(N2CCNC2=O)CC1 ZINC000055786757 351544369 /nfs/dbraw/zinc/54/43/69/351544369.db2.gz ZSRJEFMCEIYHCY-UWVGGRQHSA-N 0 1 282.300 -0.332 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(N2CCNC2=O)CC1 ZINC000055786759 351544647 /nfs/dbraw/zinc/54/46/47/351544647.db2.gz ZSRJEFMCEIYHCY-VHSXEESVSA-N 0 1 282.300 -0.332 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CCNC2=O)CC1 ZINC000055786756 351544989 /nfs/dbraw/zinc/54/49/89/351544989.db2.gz ZSRJEFMCEIYHCY-ZJUUUORDSA-N 0 1 282.300 -0.332 20 5 CBBDMN O=C(NCCc1nc[nH]n1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000080582540 351698451 /nfs/dbraw/zinc/69/84/51/351698451.db2.gz NVQHUWUUAAJXAC-UHFFFAOYSA-N 0 1 278.228 -0.626 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](O)C1 ZINC000090526213 351740731 /nfs/dbraw/zinc/74/07/31/351740731.db2.gz MFSIIPOHSDZWMB-SNVBAGLBSA-N 0 1 253.258 -0.177 20 5 CBBDMN C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000228790051 352265502 /nfs/dbraw/zinc/26/55/02/352265502.db2.gz KJWFJWCMWFGLJX-GFCCVEGCSA-N 0 1 298.299 -0.262 20 5 CBBDMN COC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000270856310 352502895 /nfs/dbraw/zinc/50/28/95/352502895.db2.gz YSOYZSNTAKGBNI-ZETCQYMHSA-N 0 1 268.229 -0.001 20 5 CBBDMN CN(C)C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000270872719 352503732 /nfs/dbraw/zinc/50/37/32/352503732.db2.gz WLYMQOHJOGTGPR-UHFFFAOYSA-N 0 1 253.262 -0.436 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)CC(C)(CO)CO)c1[N+](=O)[O-] ZINC000272769446 352525181 /nfs/dbraw/zinc/52/51/81/352525181.db2.gz RXFZDOAJBAABDP-UHFFFAOYSA-N 0 1 286.288 -0.311 20 5 CBBDMN COCCN1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1=O ZINC000282571549 352608551 /nfs/dbraw/zinc/60/85/51/352608551.db2.gz ZQOKDFLTEJWLRG-UHFFFAOYSA-N 0 1 297.271 -0.485 20 5 CBBDMN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298843174 352716024 /nfs/dbraw/zinc/71/60/24/352716024.db2.gz IXBGWDJJBPZUFO-UHFFFAOYSA-N 0 1 281.316 -0.100 20 5 CBBDMN CC(C)(O)CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301182004 352735361 /nfs/dbraw/zinc/73/53/61/352735361.db2.gz ZYQUNYHYRCDJCL-UHFFFAOYSA-N 0 1 296.331 -0.140 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(C3CC3)CC2)c1 ZINC000304320088 352746243 /nfs/dbraw/zinc/74/62/43/352746243.db2.gz QDUXAPYDCPIJIA-CYBMUJFWSA-N 0 1 295.343 -0.068 20 5 CBBDMN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1CCO ZINC000331120247 352880020 /nfs/dbraw/zinc/88/00/20/352880020.db2.gz AOPWUHCJRVHMNN-JTQLQIEISA-N 0 1 283.332 -0.173 20 5 CBBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NCc1ccco1 ZINC000343109521 353253653 /nfs/dbraw/zinc/25/36/53/353253653.db2.gz UJBZZOLAQDILCU-UHFFFAOYSA-N 0 1 293.239 -0.043 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@@H](C)C1 ZINC000155082003 188181100 /nfs/dbraw/zinc/18/11/00/188181100.db2.gz DOMTVSKALZADEV-QMMMGPOBSA-N 0 1 267.289 -0.080 20 5 CBBDMN COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000343877171 353296439 /nfs/dbraw/zinc/29/64/39/353296439.db2.gz NKSVVJBRGHTJKM-SSDOTTSWSA-N 0 1 298.255 -0.360 20 5 CBBDMN CCOC(=O)[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345411926 353329098 /nfs/dbraw/zinc/32/90/98/353329098.db2.gz JMAGAMIPAPJYNN-JTQLQIEISA-N 0 1 286.244 -0.638 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000345790300 353348839 /nfs/dbraw/zinc/34/88/39/353348839.db2.gz YKJBDBJQYSYHBB-ZCFIWIBFSA-N 0 1 281.272 -0.172 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CCC[NH2+]C)c([N+](=O)[O-])n1 ZINC000353253003 353530256 /nfs/dbraw/zinc/53/02/56/353530256.db2.gz PCVVZTRDKOSAGR-UHFFFAOYSA-N 0 1 291.333 -0.301 20 5 CBBDMN C[C@@H](CO)N1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000355160571 353588426 /nfs/dbraw/zinc/58/84/26/353588426.db2.gz FXADWVZKVXORBR-VIFPVBQESA-N 0 1 297.315 -0.153 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(CC(N)=O)C2)c1[N+](=O)[O-] ZINC000358100408 353626381 /nfs/dbraw/zinc/62/63/81/353626381.db2.gz VZCYWRFXDICZES-UHFFFAOYSA-N 0 1 267.245 -0.426 20 5 CBBDMN C[C@H](CN(C)C(=O)Cn1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000358413580 353643304 /nfs/dbraw/zinc/64/33/04/353643304.db2.gz NTMGVEAPJYEFQF-SSDOTTSWSA-N 0 1 294.275 -0.434 20 5 CBBDMN COC(=O)[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371096637 353696044 /nfs/dbraw/zinc/69/60/44/353696044.db2.gz CLSOREUKJYJURF-FXQIFTODSA-N 0 1 258.230 -0.948 20 5 CBBDMN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@H]1CC1[N+](=O)[O-] ZINC000364540755 353672174 /nfs/dbraw/zinc/67/21/74/353672174.db2.gz DDYWNYUFUSAWDY-OUAUKWLOSA-N 0 1 269.301 -0.369 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366842951 353678236 /nfs/dbraw/zinc/67/82/36/353678236.db2.gz DJHDKYYFDSHWSZ-XGEHTFHBSA-N 0 1 269.257 -0.392 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000370926601 353693695 /nfs/dbraw/zinc/69/36/95/353693695.db2.gz CADZONDTHFHQRM-AEJSXWLSSA-N 0 1 279.300 -0.220 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(F)(F)C[C@H]1CO ZINC000372548004 353718811 /nfs/dbraw/zinc/71/88/11/353718811.db2.gz PLLLDXWCZBJLAA-RRKCRQDMSA-N 0 1 250.201 -0.120 20 5 CBBDMN CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000373290830 353729624 /nfs/dbraw/zinc/72/96/24/353729624.db2.gz JFCNIZQLINWNSG-HLTSFMKQSA-N 0 1 268.273 -0.770 20 5 CBBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@H]1CC1[N+](=O)[O-] ZINC000374978264 353752075 /nfs/dbraw/zinc/75/20/75/353752075.db2.gz IEFZRKBWDQLXKO-SGIHWFKDSA-N 0 1 267.285 -0.079 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)no1 ZINC000375777202 353767384 /nfs/dbraw/zinc/76/73/84/353767384.db2.gz HQFCXRIVXMNKRG-CIUDSAMLSA-N 0 1 282.256 -0.057 20 5 CBBDMN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000376189399 353772705 /nfs/dbraw/zinc/77/27/05/353772705.db2.gz SMSGCLMWHYFIJJ-WRWGMCAJSA-N 0 1 283.328 -0.027 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000374146289 353741979 /nfs/dbraw/zinc/74/19/79/353741979.db2.gz RPSGQQOLHGGQHW-YIZRAAEISA-N 0 1 281.272 -0.322 20 5 CBBDMN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000374146289 353741982 /nfs/dbraw/zinc/74/19/82/353741982.db2.gz RPSGQQOLHGGQHW-YIZRAAEISA-N 0 1 281.272 -0.322 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000408201309 353870940 /nfs/dbraw/zinc/87/09/40/353870940.db2.gz HUJNHCPUVMGQDR-SECBINFHSA-N 0 1 295.299 -0.217 20 5 CBBDMN O=C(NCCc1nc[nH]n1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444994919 354279833 /nfs/dbraw/zinc/27/98/33/354279833.db2.gz FVWRWFPSAHBIET-UHFFFAOYSA-N 0 1 278.228 -0.214 20 5 CBBDMN CCc1nc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000479075029 354406274 /nfs/dbraw/zinc/40/62/74/354406274.db2.gz AGGXVIMTUNMCKQ-UHFFFAOYSA-N 0 1 266.221 -0.495 20 5 CBBDMN CCc1n[nH]c(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1 ZINC000479075029 354406278 /nfs/dbraw/zinc/40/62/78/354406278.db2.gz AGGXVIMTUNMCKQ-UHFFFAOYSA-N 0 1 266.221 -0.495 20 5 CBBDMN C[C@@H]1CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000534272134 354596773 /nfs/dbraw/zinc/59/67/73/354596773.db2.gz UEMJUSUVIMCYOF-MRVPVSSYSA-N 0 1 283.288 -0.232 20 5 CBBDMN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000563132869 354698048 /nfs/dbraw/zinc/69/80/48/354698048.db2.gz QYOMZIQYHQCJLD-LJGSYFOKSA-N 0 1 272.286 -0.242 20 5 CBBDMN CO[C@@H]1C[C@H](C(=O)[O-])[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000568067128 354809423 /nfs/dbraw/zinc/80/94/23/354809423.db2.gz MXEDICLMCNDOBQ-RKDXNWHRSA-N 0 1 284.272 -0.035 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191612 354990094 /nfs/dbraw/zinc/99/00/94/354990094.db2.gz QCRCCEUNBDZOIE-RNFRBKRXSA-N 0 1 291.333 -0.175 20 5 CBBDMN Cc1n[nH]c(C(=O)N[C@@H](CO)CN2CCCC2)c1[N+](=O)[O-] ZINC000588867574 355062185 /nfs/dbraw/zinc/06/21/85/355062185.db2.gz XLEWPKZLXYROJP-SECBINFHSA-N 0 1 297.315 -0.187 20 5 CBBDMN C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000592306040 355147522 /nfs/dbraw/zinc/14/75/22/355147522.db2.gz AETYQTSJRNNJKM-GMSGAONNSA-N 0 1 296.283 -0.116 20 5 CBBDMN COC[C@H]1C[C@@H](O)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000593814523 355221484 /nfs/dbraw/zinc/22/14/84/355221484.db2.gz AKVMQTGLTCXFIT-HTQZYQBOSA-N 0 1 284.272 -0.152 20 5 CBBDMN CCN1C[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000593826163 355222106 /nfs/dbraw/zinc/22/21/06/355222106.db2.gz ULKSNQRSMSFAFO-ZETCQYMHSA-N 0 1 281.272 -0.084 20 5 CBBDMN COC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594741405 355260459 /nfs/dbraw/zinc/26/04/59/355260459.db2.gz CRAXULYCJSHHQI-UHFFFAOYSA-N 0 1 275.242 -0.559 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000594778997 355262163 /nfs/dbraw/zinc/26/21/63/355262163.db2.gz GZTFQYMPRARVEI-HTRCEHHLSA-N 0 1 289.269 -0.972 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596104978 355344236 /nfs/dbraw/zinc/34/42/36/355344236.db2.gz KTBWNECDMLSYCN-UHFFFAOYSA-N 0 1 294.267 -0.490 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCOCCN2)c1[N+](=O)[O-] ZINC000597707596 355411570 /nfs/dbraw/zinc/41/15/70/355411570.db2.gz OARIDHRVNLCFEN-UHFFFAOYSA-N 0 1 255.234 -0.397 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCOCCN2)c1[N+](=O)[O-] ZINC000597707508 355411935 /nfs/dbraw/zinc/41/19/35/355411935.db2.gz MOPWIVBLOPASTO-UHFFFAOYSA-N 0 1 269.261 -0.143 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598165521 355433579 /nfs/dbraw/zinc/43/35/79/355433579.db2.gz YFWFVSQZDSTKKR-UHFFFAOYSA-N 0 1 294.311 -0.224 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)n1 ZINC000599096908 355463401 /nfs/dbraw/zinc/46/34/01/355463401.db2.gz AYGHZJISBPBBSY-ZETCQYMHSA-N 0 1 289.317 -0.656 20 5 CBBDMN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599102703 355464390 /nfs/dbraw/zinc/46/43/90/355464390.db2.gz SPEGFUOMTTXVGV-LURJTMIESA-N 0 1 277.306 -0.786 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]([NH3+])C2CC2)n1 ZINC000599100510 355464589 /nfs/dbraw/zinc/46/45/89/355464589.db2.gz JFSOUURJTPLOQU-ZETCQYMHSA-N 0 1 289.317 -0.656 20 5 CBBDMN CSCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599205249 355472033 /nfs/dbraw/zinc/47/20/33/355472033.db2.gz JWVMUGZMTJPZCD-UHFFFAOYSA-N 0 1 280.331 -0.030 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH+](C)C)n1 ZINC000599203696 355472318 /nfs/dbraw/zinc/47/23/18/355472318.db2.gz OGTLQGRFOFKIMV-UHFFFAOYSA-N 0 1 291.333 -0.442 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@]2(C)CCOC2)n1 ZINC000599263728 355474863 /nfs/dbraw/zinc/47/48/63/355474863.db2.gz JMJWNBWNSNNDOD-VIFPVBQESA-N 0 1 290.301 -0.214 20 5 CBBDMN C[C@H](O)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599293567 355478187 /nfs/dbraw/zinc/47/81/87/355478187.db2.gz ZTUYUGGUTIHXSD-ZETCQYMHSA-N 0 1 292.317 -0.232 20 5 CBBDMN CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)O ZINC000599322205 355479620 /nfs/dbraw/zinc/47/96/20/355479620.db2.gz OWPVXTAFFJPNRL-RQJHMYQMSA-N 0 1 292.317 -0.234 20 5 CBBDMN CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)O ZINC000599322204 355480113 /nfs/dbraw/zinc/48/01/13/355480113.db2.gz OWPVXTAFFJPNRL-RNFRBKRXSA-N 0 1 292.317 -0.234 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](O)C1 ZINC000600216864 355529720 /nfs/dbraw/zinc/52/97/20/355529720.db2.gz GYJJCPRPUDPBJB-UWVGGRQHSA-N 0 1 268.225 -0.522 20 5 CBBDMN CCc1n[nH]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600531246 355556801 /nfs/dbraw/zinc/55/68/01/355556801.db2.gz GEBAQHCHRCPPNB-MRVPVSSYSA-N 0 1 297.315 -0.323 20 5 CBBDMN CCc1n[nH]c(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600531246 355556806 /nfs/dbraw/zinc/55/68/06/355556806.db2.gz GEBAQHCHRCPPNB-MRVPVSSYSA-N 0 1 297.315 -0.323 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2C[C@@]2(O)C1 ZINC000603086605 355695858 /nfs/dbraw/zinc/69/58/58/355695858.db2.gz LTNZHBNIFDUZSD-BXKDBHETSA-N 0 1 265.269 -0.177 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C2CCC2)CC1 ZINC000609594574 355771258 /nfs/dbraw/zinc/77/12/58/355771258.db2.gz RYEIYACOKYGTRA-UHFFFAOYSA-N 0 1 294.315 -0.117 20 5 CBBDMN CN1C[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000375409375 283217288 /nfs/dbraw/zinc/21/72/88/283217288.db2.gz SZYWXUBXGHSOMW-ZYUZMQFOSA-N 0 1 267.285 -0.269 20 5 CBBDMN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])OCCO1 ZINC000179191677 189176187 /nfs/dbraw/zinc/17/61/87/189176187.db2.gz MZVPWYGPNAJODQ-UHFFFAOYSA-N 0 1 256.218 -0.189 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342299775 216299610 /nfs/dbraw/zinc/29/96/10/216299610.db2.gz BVDGXMHVXYQBSK-YUMQZZPRSA-N 0 1 284.272 -0.288 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@]2(CCOC2)C1 ZINC000375089047 296073445 /nfs/dbraw/zinc/07/34/45/296073445.db2.gz XSKORODLMZXYDC-FXPVBKGRSA-N 0 1 256.258 -0.331 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CCCOCC1 ZINC000275916326 193161272 /nfs/dbraw/zinc/16/12/72/193161272.db2.gz UJLBEGPMXFRPTM-UHFFFAOYSA-N 0 1 297.315 -0.370 20 5 CBBDMN CC(C)(NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1nn[nH]n1 ZINC000353476068 220104752 /nfs/dbraw/zinc/10/47/52/220104752.db2.gz ZQMFKDRMSXVZCW-UHFFFAOYSA-N 0 1 266.221 -0.504 20 5 CBBDMN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000583752724 374364825 /nfs/dbraw/zinc/36/48/25/374364825.db2.gz ZUCUZBJYNSMJHQ-ZETCQYMHSA-N 0 1 291.333 -0.173 20 5 CBBDMN Cc1[nH]nc(C(=O)N(CC(N)=O)C(C)C)c1[N+](=O)[O-] ZINC000264275507 190101132 /nfs/dbraw/zinc/10/11/32/190101132.db2.gz MQPNUBWQQYDERZ-UHFFFAOYSA-N 0 1 269.261 -0.038 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)CC2)c1[N+](=O)[O-] ZINC000264662019 190126565 /nfs/dbraw/zinc/12/65/65/190126565.db2.gz IUKPCXWNTZXDJD-UHFFFAOYSA-N 0 1 281.272 -0.158 20 5 CBBDMN NC(=O)NC(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356763185 248286835 /nfs/dbraw/zinc/28/68/35/248286835.db2.gz HBCAWHVVJQIUIN-UHFFFAOYSA-N 0 1 296.239 -0.385 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H]1CO ZINC000357643485 248389133 /nfs/dbraw/zinc/38/91/33/248389133.db2.gz LPXCRIKXPNONPM-MWLCHTKSSA-N 0 1 282.252 -0.132 20 5 CBBDMN CN1CCN(C)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264760377 190133337 /nfs/dbraw/zinc/13/33/37/190133337.db2.gz OESDHOYVTCPNHJ-VIFPVBQESA-N 0 1 281.316 -0.102 20 5 CBBDMN C[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000365304354 248720396 /nfs/dbraw/zinc/72/03/96/248720396.db2.gz IVYGCGKQBLMJDA-VGMNWLOBSA-N 0 1 276.314 -0.313 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)C2=O)c1[N+](=O)[O-] ZINC000265661032 190198018 /nfs/dbraw/zinc/19/80/18/190198018.db2.gz AZIDOAUHIFWGQQ-SSDOTTSWSA-N 0 1 281.272 -0.071 20 5 CBBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155547966 207384110 /nfs/dbraw/zinc/38/41/10/207384110.db2.gz VTTVXAWGLWVONM-DTORHVGOSA-N 0 1 282.304 -0.263 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1 ZINC000429318706 208118594 /nfs/dbraw/zinc/11/85/94/208118594.db2.gz RZJNNSWJGIJHQP-ZETCQYMHSA-N 0 1 254.250 -0.993 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] ZINC000431601520 208210632 /nfs/dbraw/zinc/21/06/32/208210632.db2.gz CUACKYSSXWEGQJ-SSDOTTSWSA-N 0 1 294.271 -0.524 20 5 CBBDMN NC(=O)[C@@]1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000355071935 227368538 /nfs/dbraw/zinc/36/85/38/227368538.db2.gz RJTBCQAGPWRWCH-GFCCVEGCSA-N 0 1 295.251 -0.637 20 5 CBBDMN Cc1n[nH]c(C(=O)NC(C)(C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC000354791088 533663832 /nfs/dbraw/zinc/66/38/32/533663832.db2.gz PXELQCLQFFLTDD-UHFFFAOYSA-N 0 1 280.248 -0.195 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC000493445074 533663851 /nfs/dbraw/zinc/66/38/51/533663851.db2.gz QDXPZFPGMPGZEJ-ZETCQYMHSA-N 0 1 295.255 -0.097 20 5 CBBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCN(C)CC1 ZINC000285390635 196270443 /nfs/dbraw/zinc/27/04/43/196270443.db2.gz CALUUKJKODLLQX-VIFPVBQESA-N 0 1 296.331 -0.316 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)N=NC3C2)c1[N+](=O)[O-] ZINC000358527005 419898951 /nfs/dbraw/zinc/89/89/51/419898951.db2.gz GBNJYTWHPCJACH-UHFFFAOYSA-N 0 1 293.243 -0.421 20 5 CBBDMN O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364351628 420037254 /nfs/dbraw/zinc/03/72/54/420037254.db2.gz BCWKRMMTAYMWMN-HLTSFMKQSA-N 0 1 250.258 -0.021 20 5 CBBDMN CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364486694 420039918 /nfs/dbraw/zinc/03/99/18/420039918.db2.gz VGVMQGWDQPGXTE-GHMZBOCLSA-N 0 1 298.343 -0.678 20 5 CBBDMN CCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000364543152 420042139 /nfs/dbraw/zinc/04/21/39/420042139.db2.gz LREHHKCYDAGBRU-RKDXNWHRSA-N 0 1 255.274 -0.268 20 5 CBBDMN COCCN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1=O ZINC000364936245 420050828 /nfs/dbraw/zinc/05/08/28/420050828.db2.gz RQRVCTABLGPOLJ-UWVGGRQHSA-N 0 1 285.300 -0.641 20 5 CBBDMN CCc1noc([C@]2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000365235760 420056053 /nfs/dbraw/zinc/05/60/53/420056053.db2.gz RWAUFCWWWYQMEW-RWYTXXIDSA-N 0 1 296.283 -0.283 20 5 CBBDMN Cc1nnc2n1CCN(C(=O)[C@H]1CC1[N+](=O)[O-])C2 ZINC000365331117 420062268 /nfs/dbraw/zinc/06/22/68/420062268.db2.gz ZQHLPFTUHGCZSV-YUMQZZPRSA-N 0 1 251.246 -0.406 20 5 CBBDMN CCOC(=O)C1(F)CN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000367272434 420100171 /nfs/dbraw/zinc/10/01/71/420100171.db2.gz UACHHEWEGYZELB-NKWVEPMBSA-N 0 1 260.221 -0.235 20 5 CBBDMN COCC[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368283223 420126533 /nfs/dbraw/zinc/12/65/33/420126533.db2.gz WRGDRDWTDNDBPZ-BBBLOLIVSA-N 0 1 258.274 -0.085 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Nc2cccnn2)CC1 ZINC000373955053 420191776 /nfs/dbraw/zinc/19/17/76/420191776.db2.gz UDIJVLOBXHRQEW-GHMZBOCLSA-N 0 1 291.311 0.545 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CCN3CCOC[C@H]3C2)n1 ZINC000368834846 420143431 /nfs/dbraw/zinc/14/34/31/420143431.db2.gz POWISWZEWLFXQG-LLVKDONJSA-N 0 1 281.316 -0.192 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000369340189 420158521 /nfs/dbraw/zinc/15/85/21/420158521.db2.gz ULZXRXISHVVGGI-FIQHERPVSA-N 0 1 294.311 -0.380 20 5 CBBDMN Cc1nc([C@@H]2COCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000369433665 420160109 /nfs/dbraw/zinc/16/01/09/420160109.db2.gz BVAGVBOTEDQHRQ-HLTSFMKQSA-N 0 1 282.256 -0.057 20 5 CBBDMN Cc1nc([C@@H]2COCCN2C(=O)[C@H]2CC2[N+](=O)[O-])no1 ZINC000369433664 420161639 /nfs/dbraw/zinc/16/16/39/420161639.db2.gz BVAGVBOTEDQHRQ-CIUDSAMLSA-N 0 1 282.256 -0.057 20 5 CBBDMN CN1CC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)OC1=O ZINC000497170682 420342876 /nfs/dbraw/zinc/34/28/76/420342876.db2.gz YDKSVDVCRUZSKF-RNFRBKRXSA-N 0 1 255.230 -0.685 20 5 CBBDMN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000560631481 420432488 /nfs/dbraw/zinc/43/24/88/420432488.db2.gz MZJLSCMFTNJHKC-UHFFFAOYSA-N 0 1 294.227 0.470 20 5 CBBDMN CCn1nc2c(cc1=O)CN(C(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000378015836 230308281 /nfs/dbraw/zinc/30/82/81/230308281.db2.gz UKNCETJHVFPQMO-GXSJLCMTSA-N 0 1 292.295 -0.187 20 5 CBBDMN COCc1nc(CNc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000596435247 420488278 /nfs/dbraw/zinc/48/82/78/420488278.db2.gz BXTSDFCOQVCIBD-UHFFFAOYSA-N 0 1 280.248 -0.156 20 5 CBBDMN COCc1nnc(CNc2ncc([N+](=O)[O-])c(N)n2)[nH]1 ZINC000596435247 420488280 /nfs/dbraw/zinc/48/82/80/420488280.db2.gz BXTSDFCOQVCIBD-UHFFFAOYSA-N 0 1 280.248 -0.156 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-] ZINC000563401473 328062639 /nfs/dbraw/zinc/06/26/39/328062639.db2.gz SPFIIXORTNQXOX-UHFFFAOYSA-N 0 1 295.255 -0.679 20 5 CBBDMN [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000564945807 327248320 /nfs/dbraw/zinc/24/83/20/327248320.db2.gz QRMPTCSSBZJUAK-ZCFIWIBFSA-N 0 1 252.230 -0.131 20 5 CBBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(CO)CO ZINC000579124272 335712783 /nfs/dbraw/zinc/71/27/83/335712783.db2.gz HYPOWGFLVXHLDS-UHFFFAOYSA-N 0 1 299.283 -0.515 20 5 CBBDMN CC(C)(NC(=O)Cn1ccc([N+](=O)[O-])n1)c1nn[nH]n1 ZINC000354771873 527271040 /nfs/dbraw/zinc/27/10/40/527271040.db2.gz KILIWLOQQWMREW-UHFFFAOYSA-N 0 1 280.248 -0.644 20 5 CBBDMN CCN(CC(N)=O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000356901367 527978634 /nfs/dbraw/zinc/97/86/34/527978634.db2.gz ILDWZAYLXCTLHZ-UHFFFAOYSA-N 0 1 255.234 -0.426 20 5 CBBDMN O=C(NCCN1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000196749925 582126830 /nfs/dbraw/zinc/12/68/30/582126830.db2.gz XKOLAULFMQQJLW-UHFFFAOYSA-N 0 1 269.261 -0.620 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000230685739 582129551 /nfs/dbraw/zinc/12/95/51/582129551.db2.gz TZSPKIVHHIWPOR-UHFFFAOYSA-N 0 1 263.217 -0.380 20 5 CBBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000776588675 582355568 /nfs/dbraw/zinc/35/55/68/582355568.db2.gz AJOVJWJPFDTTKD-UTUOFQBUSA-N 0 1 268.269 -0.334 20 5 CBBDMN NC(=O)CONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780727737 582364535 /nfs/dbraw/zinc/36/45/35/582364535.db2.gz SODYVEUKTBAPKP-UHFFFAOYSA-N 0 1 255.186 -0.553 20 5 CBBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000817628358 582491640 /nfs/dbraw/zinc/49/16/40/582491640.db2.gz RYKDPDQMKJGGQG-DJLDLDEBSA-N 0 1 258.274 -0.350 20 5 CBBDMN O=C(N[C@@H]1CCc2cncn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000824116646 582687576 /nfs/dbraw/zinc/68/75/76/582687576.db2.gz MMJNQVYLCZOTAP-SZEHBUNVSA-N 0 1 250.258 -0.021 20 5 CBBDMN C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC000828442046 582856062 /nfs/dbraw/zinc/85/60/62/582856062.db2.gz XCUXWYROEUFIOT-FBIMIBRVSA-N 0 1 298.299 -0.195 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNCC1 ZINC000830329697 582928679 /nfs/dbraw/zinc/92/86/79/582928679.db2.gz CBIAKOJXXALLLO-UHFFFAOYSA-N 0 1 253.262 -0.468 20 5 CBBDMN O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000831235338 582970624 /nfs/dbraw/zinc/97/06/24/582970624.db2.gz VLDDIFWOADDQJG-ZOZBQHSOSA-N 0 1 256.258 -0.428 20 5 CBBDMN CC1(C)OCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CO1 ZINC000834509524 583128924 /nfs/dbraw/zinc/12/89/24/583128924.db2.gz CCTHXCLLAFYVNW-HTQZYQBOSA-N 0 1 274.273 -0.718 20 5 CBBDMN CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000839463226 583156409 /nfs/dbraw/zinc/15/64/09/583156409.db2.gz AZUQLQRCPGQWAC-OXOINMOOSA-N 0 1 270.245 -0.597 20 5 CBBDMN C[C@H](O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839662146 583157093 /nfs/dbraw/zinc/15/70/93/583157093.db2.gz VSWPFBLMUNIKSQ-IVZWLZJFSA-N 0 1 257.290 -0.823 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000839658989 583157486 /nfs/dbraw/zinc/15/74/86/583157486.db2.gz WCBZAJMQVTZUJH-LMLFDSFASA-N 0 1 271.317 -0.123 20 5 CBBDMN C[C@@H]1COCCN1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839654576 583157502 /nfs/dbraw/zinc/15/75/02/583157502.db2.gz MPPNBZZEPRRTFV-OPRDCNLKSA-N 0 1 257.290 -0.512 20 5 CBBDMN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839679193 583157734 /nfs/dbraw/zinc/15/77/34/583157734.db2.gz GGURLMKRYWHWFU-DSYKOEDSSA-N 0 1 295.217 -0.069 20 5 CBBDMN CCNC(=O)C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707280 583158171 /nfs/dbraw/zinc/15/81/71/583158171.db2.gz BDNXYKVZTKEVAE-HTQZYQBOSA-N 0 1 257.290 -0.070 20 5 CBBDMN COC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839734574 583158790 /nfs/dbraw/zinc/15/87/90/583158790.db2.gz SKHHXFGGWYOEEC-UTINFBMNSA-N 0 1 258.274 -0.086 20 5 CBBDMN CCO[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726181 583158808 /nfs/dbraw/zinc/15/88/08/583158808.db2.gz NVWOYOOQTUVLPR-UTINFBMNSA-N 0 1 258.274 -0.038 20 5 CBBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000839747818 583159242 /nfs/dbraw/zinc/15/92/42/583159242.db2.gz FJXZZAGDLDTYBG-KYXWUPHJSA-N 0 1 258.274 -0.038 20 5 CBBDMN Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840387431 583164347 /nfs/dbraw/zinc/16/43/47/583164347.db2.gz MLKSVJJUGZIXOH-RFZPGFLSSA-N 0 1 254.202 -0.200 20 5 CBBDMN CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840393172 583164474 /nfs/dbraw/zinc/16/44/74/583164474.db2.gz UUECDAQFGXBSNZ-HLTSFMKQSA-N 0 1 274.273 -0.312 20 5 CBBDMN C[C@H](O)C[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840418047 583164741 /nfs/dbraw/zinc/16/47/41/583164741.db2.gz DQQCKJUTAPLPJH-AXTSPUMRSA-N 0 1 258.274 -0.350 20 5 CBBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000840425524 583164955 /nfs/dbraw/zinc/16/49/55/583164955.db2.gz AOBOFLQREYNIGG-BGZDPUMWSA-N 0 1 255.274 -0.236 20 5 CBBDMN CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672199 583166368 /nfs/dbraw/zinc/16/63/68/583166368.db2.gz NTKPRWWJXUWHMS-XLPZGREQSA-N 0 1 287.272 -0.183 20 5 CBBDMN CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672956 583166463 /nfs/dbraw/zinc/16/64/63/583166463.db2.gz SUKCAKUWUZGZPE-RRKCRQDMSA-N 0 1 273.245 -0.571 20 5 CBBDMN COC(=O)C(C)(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673152 583166517 /nfs/dbraw/zinc/16/65/17/583166517.db2.gz IRZSLUYNYFRIEU-RNFRBKRXSA-N 0 1 273.241 -0.037 20 5 CBBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000840673238 583166575 /nfs/dbraw/zinc/16/65/75/583166575.db2.gz VGKLSBVTIVZAQQ-ZYUZMQFOSA-N 0 1 286.284 -0.122 20 5 CBBDMN CN(C)c1noc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840672499 583166696 /nfs/dbraw/zinc/16/66/96/583166696.db2.gz AHNDNNLBJGCPKS-PHDIDXHHSA-N 0 1 256.218 -0.156 20 5 CBBDMN C[C@@H]1CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000840673049 583166701 /nfs/dbraw/zinc/16/67/01/583166701.db2.gz XDTBDZDMPSDHJV-UTINFBMNSA-N 0 1 286.284 -0.169 20 5 CBBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000844040583 583245940 /nfs/dbraw/zinc/24/59/40/583245940.db2.gz MSGWLWFAMVVXGZ-LNLATYFQSA-N 0 1 272.301 -0.055 20 5 CBBDMN Cn1[nH]c([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])nc1=N ZINC000846066230 583350886 /nfs/dbraw/zinc/35/08/86/583350886.db2.gz AWINJQGMHRKMMS-GJMOJQLCSA-N 0 1 280.288 -0.444 20 5 CBBDMN O=C(NCC[C@@]1(O)CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000846597016 583377012 /nfs/dbraw/zinc/37/70/12/583377012.db2.gz RBUZYEDLCKHZLB-KKZNHRDASA-N 0 1 258.274 -0.301 20 5 CBBDMN COC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000848309203 583440848 /nfs/dbraw/zinc/44/08/48/583440848.db2.gz MOYJJQCSIYEFJU-RKDXNWHRSA-N 0 1 258.274 -0.349 20 5 CBBDMN COC(=O)C1(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000848765815 583459391 /nfs/dbraw/zinc/45/93/91/583459391.db2.gz HXAQOOGYVVQLGP-RNFRBKRXSA-N 0 1 271.225 -0.283 20 5 CBBDMN COC(=O)[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855453220 583640545 /nfs/dbraw/zinc/64/05/45/583640545.db2.gz ZEWPGLBTJMGNGP-ULAWRXDQSA-N 0 1 258.230 -0.902 20 5 CBBDMN COC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000856444831 583659027 /nfs/dbraw/zinc/65/90/27/583659027.db2.gz BXVWKBFFXYECNK-RKDXNWHRSA-N 0 1 271.273 -0.001 20 5 CBBDMN CCOC(=O)C[C@@H](O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000859720828 583728208 /nfs/dbraw/zinc/72/82/08/583728208.db2.gz WHOHUWWBLCPRAR-BWZBUEFSSA-N 0 1 261.230 -0.491 20 5 CBBDMN C[C@]1(CO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]1(C)CO ZINC000862995351 583830249 /nfs/dbraw/zinc/83/02/49/583830249.db2.gz MUJFPYVSKMEOEW-IQIPOGNMSA-N 0 1 272.301 -0.509 20 5 CBBDMN O=C(N[C@H]1CCN(C2CCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863834640 583859734 /nfs/dbraw/zinc/85/97/34/583859734.db2.gz DLUAXRFHBAMZOT-KXUCPTDWSA-N 0 1 267.285 -0.079 20 5 CBBDMN COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869993791 584006432 /nfs/dbraw/zinc/00/64/32/584006432.db2.gz YUHOSVFOANMPMG-MFYTUXHUSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](CN2CCOCC2)C1 ZINC000870058637 584007909 /nfs/dbraw/zinc/00/79/09/584007909.db2.gz UBKHCENSOJMQTF-QJPTWQEYSA-N 0 1 299.327 -0.789 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000870740463 584017107 /nfs/dbraw/zinc/01/71/07/584017107.db2.gz FUGGBDHAFGNFMS-BWZBUEFSSA-N 0 1 262.287 -0.703 20 5 CBBDMN O=C(NCCN1CCC2(C1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000899064096 584749927 /nfs/dbraw/zinc/74/99/27/584749927.db2.gz RAHFYRNXLUDZTJ-NXEZZACHSA-N 0 1 285.300 -0.783 20 5 CBBDMN CC(C)(F)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976032054 614154818 /nfs/dbraw/zinc/15/48/18/614154818.db2.gz HMCVNPSAJCUITK-SPFKKGSWSA-N 0 1 299.302 -0.027 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCO)C1 ZINC000950055572 614651463 /nfs/dbraw/zinc/65/14/63/614651463.db2.gz DDGYPJOSHIZOSA-GHMZBOCLSA-N 0 1 271.317 -0.433 20 5 CBBDMN CN(C(=O)c1cc[nH]c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954479072 615897036 /nfs/dbraw/zinc/89/70/36/615897036.db2.gz IZUTXOGZHYCEPJ-GHMZBOCLSA-N 0 1 292.295 -0.037 20 5 CBBDMN CN(C(=O)c1cnon1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955088459 615933055 /nfs/dbraw/zinc/93/30/55/615933055.db2.gz KFGRVDIBNUCTCY-VXNVDRBHSA-N 0 1 295.255 -0.982 20 5 CBBDMN O=C([C@H]1CCCN(CC[N+](=O)[O-])C1)N1CCOCC1 ZINC000929198622 659098545 /nfs/dbraw/zinc/09/85/45/659098545.db2.gz HFCOGCJGXIDAGV-NSHDSACASA-N 0 1 271.317 -0.166 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001000592103 656749761 /nfs/dbraw/zinc/74/97/61/656749761.db2.gz YIKOHNYVFTXPQB-NXEZZACHSA-N 0 1 267.285 -0.364 20 5 CBBDMN O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000909395048 656809603 /nfs/dbraw/zinc/80/96/03/656809603.db2.gz MAXHFEQIHUQREC-OEZYJKACSA-N 0 1 257.242 -0.001 20 5 CBBDMN O=C(NCC1CN(C(=O)c2cn[nH]c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001795579 656822268 /nfs/dbraw/zinc/82/22/68/656822268.db2.gz HVAWRUAQBCFPCT-NXEZZACHSA-N 0 1 293.283 -0.737 20 5 CBBDMN O=C(NCC1CN(C(=O)c2cnco2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001795655 656822330 /nfs/dbraw/zinc/82/23/30/656822330.db2.gz JFMCQDXMSQOPCF-RKDXNWHRSA-N 0 1 294.267 -0.472 20 5 CBBDMN O=C(NCC1CN(C(=O)c2ncc[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001804629 656822396 /nfs/dbraw/zinc/82/23/96/656822396.db2.gz CPPBZNBBNQKQSZ-RKDXNWHRSA-N 0 1 293.283 -0.737 20 5 CBBDMN CCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001009637039 657084937 /nfs/dbraw/zinc/08/49/37/657084937.db2.gz RSUHUEHFLODAKB-RKDXNWHRSA-N 0 1 255.274 -0.268 20 5 CBBDMN O=C(c1cnco1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114167 657259171 /nfs/dbraw/zinc/25/91/71/657259171.db2.gz HZLBORZZWZFJAP-RKDXNWHRSA-N 0 1 294.267 -0.376 20 5 CBBDMN COCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019012903 657857754 /nfs/dbraw/zinc/85/77/54/657857754.db2.gz UQGQXIXTCBINPK-NXEZZACHSA-N 0 1 297.311 -0.641 20 5 CBBDMN Cc1noc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020138949 658017299 /nfs/dbraw/zinc/01/72/99/658017299.db2.gz JFDCOKXMTGCYQM-ZYUZMQFOSA-N 0 1 295.299 -0.220 20 5 CBBDMN CN1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000928563779 659045215 /nfs/dbraw/zinc/04/52/15/659045215.db2.gz RINICIQSAGTWDG-VIFPVBQESA-N 0 1 280.284 -0.423 20 5 CBBDMN CN1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000928567521 659049588 /nfs/dbraw/zinc/04/95/88/659049588.db2.gz QBBKNRPBJOXJFC-QMMMGPOBSA-N 0 1 253.262 -0.388 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC000973041168 659135476 /nfs/dbraw/zinc/13/54/76/659135476.db2.gz WAHFDLOKVJIOIH-FDDDBJFASA-N 0 1 293.283 -0.548 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cocn1 ZINC000973946600 659158947 /nfs/dbraw/zinc/15/89/47/659158947.db2.gz OOZSBMIZBPEIMY-IBCQBUCCSA-N 0 1 294.267 -0.283 20 5 CBBDMN COCC(COC)N1CCN(CC[N+](=O)[O-])CC1 ZINC000930712967 659326837 /nfs/dbraw/zinc/32/68/37/659326837.db2.gz QURISMRDQJAYOY-UHFFFAOYSA-N 0 1 261.322 -0.458 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)F ZINC000990022073 659641486 /nfs/dbraw/zinc/64/14/86/659641486.db2.gz IJTZOPOFSHHAND-PHDIDXHHSA-N 0 1 263.200 -0.756 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC000991229380 659827571 /nfs/dbraw/zinc/82/75/71/659827571.db2.gz SXCPEDUEHVWQFV-HTQZYQBOSA-N 0 1 279.256 -0.985 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(N2CCOCC2)C1 ZINC000829034528 790897878 /nfs/dbraw/zinc/89/78/78/790897878.db2.gz VVKHCMMTCDBUBR-NXEZZACHSA-N 0 1 255.274 -0.805 20 5 CBBDMN CCN(C(=O)CCOC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079181887 805895388 /nfs/dbraw/zinc/89/53/88/805895388.db2.gz LAUVVBGLUFYDEX-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN Cc1ncoc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030293230 799292199 /nfs/dbraw/zinc/29/21/99/799292199.db2.gz IENWDCOMZXVOOW-NXEZZACHSA-N 0 1 280.284 -0.051 20 5 CBBDMN Cc1nnsc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030293057 799292285 /nfs/dbraw/zinc/29/22/85/799292285.db2.gz FSFQYPBVRBZFOG-RKDXNWHRSA-N 0 1 297.340 -0.188 20 5 CBBDMN Cc1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncn1 ZINC001030293556 799292324 /nfs/dbraw/zinc/29/23/24/799292324.db2.gz OASZZPMBSRGOHB-VXGBXAGGSA-N 0 1 291.311 -0.249 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccon2)C1 ZINC001042705187 801511456 /nfs/dbraw/zinc/51/14/56/801511456.db2.gz LGPJDCJTCFLQHO-GHMZBOCLSA-N 0 1 280.284 -0.018 20 5 CBBDMN CCN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001053253477 802244303 /nfs/dbraw/zinc/24/43/03/802244303.db2.gz LBWFWNSQOJPUIY-NXEZZACHSA-N 0 1 269.301 -0.415 20 5 CBBDMN CC(C)=CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543841 802514578 /nfs/dbraw/zinc/51/45/78/802514578.db2.gz ZVSGFWSHMIAZPJ-GHMZBOCLSA-N 0 1 299.327 -0.445 20 5 CBBDMN Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCNCC2)c1=O ZINC001118135128 812475474 /nfs/dbraw/zinc/47/54/74/812475474.db2.gz IVFAVQUUKCJTFE-UHFFFAOYSA-N 0 1 280.284 -0.503 20 5 CBBDMN O=C(NCCOCCCO)c1n[nH]cc1[N+](=O)[O-] ZINC001323149126 803981777 /nfs/dbraw/zinc/98/17/77/803981777.db2.gz NSTWRAZDCRPBCG-UHFFFAOYSA-N 0 1 258.234 -0.553 20 5 CBBDMN Cn1nncc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001323290023 804003438 /nfs/dbraw/zinc/00/34/38/804003438.db2.gz HCFFLPKVLLZWOK-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC001325005815 804222422 /nfs/dbraw/zinc/22/24/22/804222422.db2.gz IEGNSPSPSJUTKU-YFKPBYRVSA-N 0 1 265.233 -0.063 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001152823906 815137306 /nfs/dbraw/zinc/13/73/06/815137306.db2.gz TZUOCLQXLCFEHH-DOLQZWNJSA-N 0 1 283.284 -0.842 20 5 CBBDMN O=C1NC(=O)[C@@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])S1 ZINC001155837100 815316449 /nfs/dbraw/zinc/31/64/49/815316449.db2.gz JKEKYNUTCDOMAZ-ZETCQYMHSA-N 0 1 270.226 -0.051 20 5 CBBDMN O=C(NCCNc1ncccc1[N+](=O)[O-])c1cnn[nH]1 ZINC001094243627 810706333 /nfs/dbraw/zinc/70/63/33/810706333.db2.gz WNFXYDAHFGOPJB-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN CCN(C)C(=O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835770 811604051 /nfs/dbraw/zinc/60/40/51/811604051.db2.gz OKRQTKBRKKZVRE-GHMZBOCLSA-N 0 1 298.343 -0.726 20 5 CBBDMN Cc1nonc1CNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761396 815462934 /nfs/dbraw/zinc/46/29/34/815462934.db2.gz QVSSOKWDIGIZGF-PSASIEDQSA-N 0 1 283.288 -0.361 20 5 CBBDMN CN1CCN(C(=N)Nc2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001157910818 815481923 /nfs/dbraw/zinc/48/19/23/815481923.db2.gz RKZJXNRLCQTKNR-UHFFFAOYSA-N 0 1 280.288 -0.178 20 5 CBBDMN COC(=O)c1cnc(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001158074707 815501214 /nfs/dbraw/zinc/50/12/14/815501214.db2.gz JDONQGHPIPGAIY-UHFFFAOYSA-N 0 1 279.216 -0.789 20 5 CBBDMN NCc1nnnn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158076521 815501960 /nfs/dbraw/zinc/50/19/60/815501960.db2.gz FIMHRUKGRNFDFT-UHFFFAOYSA-N 0 1 260.217 -0.095 20 5 CBBDMN Cc1noc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001116423131 812258412 /nfs/dbraw/zinc/25/84/12/812258412.db2.gz VJUMLWCACPSZMC-UHFFFAOYSA-N 0 1 266.217 -0.018 20 5 CBBDMN CN1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001116868619 812327906 /nfs/dbraw/zinc/32/79/06/812327906.db2.gz GGRHKXNLHHAMDV-UHFFFAOYSA-N 0 1 282.304 -0.705 20 5 CBBDMN O=C(N[C@@H]1CCCN(CCCO)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001158481790 815535584 /nfs/dbraw/zinc/53/55/84/815535584.db2.gz HNQPJZAABZTDBJ-SECBINFHSA-N 0 1 297.315 -0.106 20 5 CBBDMN C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001118492254 812558782 /nfs/dbraw/zinc/55/87/82/812558782.db2.gz IFUCSKBVQGZUSL-NGZCFLSTSA-N 0 1 298.299 -0.053 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](O)C2)n1 ZINC001118954344 812674904 /nfs/dbraw/zinc/67/49/04/812674904.db2.gz YXRZQIMVFPLGAC-MRVPVSSYSA-N 0 1 283.288 -0.875 20 5 CBBDMN Cc1conc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939373 813696819 /nfs/dbraw/zinc/69/68/19/813696819.db2.gz VSWVNFFKMMBBSP-PSASIEDQSA-N 0 1 268.273 -0.146 20 5 CBBDMN COC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001133672724 814286255 /nfs/dbraw/zinc/28/62/55/814286255.db2.gz LYVMEDOJXQLRNK-XLPZGREQSA-N 0 1 257.246 -0.392 20 5 CBBDMN NC(=O)C12CCC(CC1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001134425062 814382157 /nfs/dbraw/zinc/38/21/57/814382157.db2.gz YMVJELOXXQFDME-YFHNAJJPSA-N 0 1 253.258 -0.340 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CNC(=O)O2)CC1 ZINC001134595249 814397724 /nfs/dbraw/zinc/39/77/24/814397724.db2.gz OBPXYJBVVIGBSW-HTQZYQBOSA-N 0 1 269.257 -0.247 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC(=O)N2)CC1 ZINC001136489446 814562591 /nfs/dbraw/zinc/56/25/91/814562591.db2.gz QMAVJFVQNUXJQT-HTQZYQBOSA-N 0 1 253.258 -0.467 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001161337323 815744181 /nfs/dbraw/zinc/74/41/81/815744181.db2.gz ZNQGARIBMMLKHD-XPUUQOCRSA-N 0 1 284.272 -0.695 20 5 CBBDMN NC(=O)[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001289318783 816423962 /nfs/dbraw/zinc/42/39/62/816423962.db2.gz YFVZOLONGFQOBW-HAYRHPOISA-N 0 1 267.285 -0.234 20 5 CBBDMN O=C(Cc1ccc[nH]1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292722024 816482502 /nfs/dbraw/zinc/48/25/02/816482502.db2.gz GFPYCHPYKMVQJX-NXEZZACHSA-N 0 1 280.284 -0.545 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cn1cccn1 ZINC001296065094 816598666 /nfs/dbraw/zinc/59/86/66/816598666.db2.gz MYQBURZREVYHIH-NXEZZACHSA-N 0 1 295.299 -0.877 20 5 CBBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnco1 ZINC001296300252 816608060 /nfs/dbraw/zinc/60/80/60/816608060.db2.gz AZKRVAYNENWFAS-RKDXNWHRSA-N 0 1 296.283 -0.082 20 5 CBBDMN O=C(NCCC1(O)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001297688053 816649827 /nfs/dbraw/zinc/64/98/27/816649827.db2.gz QLVBTSYQLPKNAC-RKDXNWHRSA-N 0 1 258.274 -0.301 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](O)[C@H](CO)C1 ZINC001299170752 816713620 /nfs/dbraw/zinc/71/36/20/816713620.db2.gz RLDVJOWFVHTFNS-GZMMTYOYSA-N 0 1 282.252 -0.274 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001301121712 816743886 /nfs/dbraw/zinc/74/38/86/816743886.db2.gz IWXCDHQUTIUIEA-KRTXAFLBSA-N 0 1 298.299 -0.162 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](CO)[C@H](CCO)C1 ZINC001305755550 816789037 /nfs/dbraw/zinc/78/90/37/816789037.db2.gz YNQDSOXUMMCKSQ-UTINFBMNSA-N 0 1 258.274 -0.899 20 5 CBBDMN COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001306830803 816792463 /nfs/dbraw/zinc/79/24/63/816792463.db2.gz GYVXXTSKLIOXCS-HRDYMLBCSA-N 0 1 282.256 -0.794 20 5 CBBDMN Cn1cc(CN2CCn3c(=O)[nH]nc3C2)c([N+](=O)[O-])n1 ZINC001307654379 816805640 /nfs/dbraw/zinc/80/56/40/816805640.db2.gz PWFQNUUMLNGVBH-UHFFFAOYSA-N 0 1 279.260 -0.359 20 5 CBBDMN CC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857861 816814047 /nfs/dbraw/zinc/81/40/47/816814047.db2.gz ZZTHNRAUZKEMRV-CMPLNLGQSA-N 0 1 297.315 -0.637 20 5 CBBDMN CC(=O)N[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857862 816814760 /nfs/dbraw/zinc/81/47/60/816814760.db2.gz ZZTHNRAUZKEMRV-JQWIXIFHSA-N 0 1 297.315 -0.637 20 5 CBBDMN CC1(C)CNC(=O)[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC001308047293 816817604 /nfs/dbraw/zinc/81/76/04/816817604.db2.gz WPGAWXOHUVWWJM-LLVKDONJSA-N 0 1 294.311 -0.129 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CSC2)n1 ZINC001309680802 816834533 /nfs/dbraw/zinc/83/45/33/816834533.db2.gz NIIYVEOJJKOVGA-UHFFFAOYSA-N 0 1 292.342 -0.030 20 5 CBBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1nn[nH]n1 ZINC001318497099 817115201 /nfs/dbraw/zinc/11/52/01/817115201.db2.gz WTZYCEOLSPGKOE-UHFFFAOYSA-N 0 1 296.218 -0.058 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c[nH]nn1 ZINC001318975252 817153883 /nfs/dbraw/zinc/15/38/83/817153883.db2.gz ZOFSLJZSARYCBB-UHFFFAOYSA-N 0 1 279.260 -0.076 20 5 CBBDMN Cc1cc(C[C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC001319264780 817183096 /nfs/dbraw/zinc/18/30/96/817183096.db2.gz IQULEGGIYVBZTA-ZETCQYMHSA-N 0 1 293.287 -0.035 20 5 CBBDMN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001319607630 817225340 /nfs/dbraw/zinc/22/53/40/817225340.db2.gz OBSYNNDBDWQRTL-VIFPVBQESA-N 0 1 296.331 -0.316 20 5 CBBDMN CN1C(=S)N=NC1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319702383 817234365 /nfs/dbraw/zinc/23/43/65/817234365.db2.gz VTJOFLLPGVDDAG-UHFFFAOYSA-N 0 1 283.273 -0.335 20 5 CBBDMN Cn1cc([C@H](O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC001320365575 817327695 /nfs/dbraw/zinc/32/76/95/817327695.db2.gz KCHFGQRMUKXAIH-MRVPVSSYSA-N 0 1 280.244 -0.485 20 5 CBBDMN O=C(NC/C=C/CNCc1ncccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001321051859 817435734 /nfs/dbraw/zinc/43/57/34/817435734.db2.gz NVDSRMSZIZXPAL-COUIAZAYSA-N 0 1 291.311 -0.096 20 5 CBBDMN Cc1c(C)c(N2CCNC(=O)C23CNC3)ncc1[N+](=O)[O-] ZINC001165297853 819951839 /nfs/dbraw/zinc/95/18/39/819951839.db2.gz JOOXYVJKHNYZCJ-UHFFFAOYSA-N 0 1 291.311 -0.115 20 5 CBBDMN O=C1NCCN(c2ncc([N+](=O)[O-])cc2F)C12CNC2 ZINC001165298690 819953416 /nfs/dbraw/zinc/95/34/16/819953416.db2.gz RQBWDQFTWIZIHI-UHFFFAOYSA-N 0 1 281.247 -0.593 20 5 CBBDMN Cc1ncc(CN)c(=N)n1-c1cnc([N+](=O)[O-])cn1 ZINC001167676301 820110406 /nfs/dbraw/zinc/11/04/06/820110406.db2.gz YBZCRIBCKKDFSV-UHFFFAOYSA-N 0 1 261.245 -0.183 20 5 CBBDMN COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nnnc1CN ZINC001168920414 820191028 /nfs/dbraw/zinc/19/10/28/820191028.db2.gz QJCQEHVPIUPYNK-UHFFFAOYSA-N 0 1 293.243 -0.481 20 5 CBBDMN O=C1CN(C2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038462 820201151 /nfs/dbraw/zinc/20/11/51/820201151.db2.gz YXSICHFXURSKON-QWRGUYRKSA-N 0 1 282.344 -0.452 20 5 CBBDMN Cc1c[n+]([O-])c(NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170035791 820274424 /nfs/dbraw/zinc/27/44/24/820274424.db2.gz PKFJTLKKHKQLIX-VIFPVBQESA-N 0 1 268.273 -0.063 20 5 CBBDMN Cn1cc(NC[C@H]2COCCN2)cc([N+](=O)[O-])c1=O ZINC001170044208 820275329 /nfs/dbraw/zinc/27/53/29/820275329.db2.gz LIUZYMWMXUXBOJ-VIFPVBQESA-N 0 1 268.273 -0.306 20 5 CBBDMN COc1ccc(C[C@H](C)N[C@@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306608 820287213 /nfs/dbraw/zinc/28/72/13/820287213.db2.gz YMYKNZNNLKLXMF-KWQFWETISA-N 0 1 297.311 -0.030 20 5 CBBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CC(N)=O)C(N)=O ZINC001173218538 820400375 /nfs/dbraw/zinc/40/03/75/820400375.db2.gz BRZFVQJATBQUEB-KWQFWETISA-N 0 1 294.311 -0.155 20 5 CBBDMN COCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280746780 828373813 /nfs/dbraw/zinc/37/38/13/828373813.db2.gz LFJHSUORYHETDL-ZYUZMQFOSA-N 0 1 285.300 -0.691 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnnc1 ZINC001284521705 828608402 /nfs/dbraw/zinc/60/84/02/828608402.db2.gz IAYFMNVVSNRWHR-NXEZZACHSA-N 0 1 293.283 -0.670 20 5 CBBDMN NC(=O)[C@H](N)Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211591288 824485722 /nfs/dbraw/zinc/48/57/22/824485722.db2.gz QQJARNAXQHMGIC-RXMQYKEDSA-N 0 1 296.218 -0.466 20 5 CBBDMN COC(=O)c1[n-]c(=O)nc(O[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001226653689 825284398 /nfs/dbraw/zinc/28/43/98/825284398.db2.gz YRFRDLIMGVPYLY-LURJTMIESA-N 0 1 298.255 -0.040 20 5 CBBDMN COc1cnc(=O)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226822254 825290817 /nfs/dbraw/zinc/29/08/17/825290817.db2.gz NFLTUAXIHZEUPP-MRVPVSSYSA-O 0 1 286.308 -0.447 20 5 CBBDMN C[C@@H](CCS(C)(=O)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253838187 825935052 /nfs/dbraw/zinc/93/50/52/825935052.db2.gz AGEIVSDSMJYRNL-LURJTMIESA-N 0 1 290.301 -0.129 20 5 CBBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)C(N)=O ZINC001254540057 825965962 /nfs/dbraw/zinc/96/59/62/825965962.db2.gz OWJYAWYKRMKMQS-PSASIEDQSA-N 0 1 267.285 -0.038 20 5 CBBDMN NC(=O)C[C@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254589408 825967148 /nfs/dbraw/zinc/96/71/48/825967148.db2.gz OEGMOGSOCYKNKV-ONGXEEELSA-N 0 1 292.295 -0.619 20 5 CBBDMN NC(=O)[C@H](CO)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579571 825967428 /nfs/dbraw/zinc/96/74/28/825967428.db2.gz SXUXPYNWMQAHTO-ONGXEEELSA-N 0 1 265.269 -0.502 20 5 CBBDMN Cc1nonc1CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272014039 827750392 /nfs/dbraw/zinc/75/03/92/827750392.db2.gz WEQKDTDKPFIJHZ-MWLCHTKSSA-N 0 1 297.315 -0.067 20 5 CBBDMN COCCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001445984550 912796250 /nfs/dbraw/zinc/79/62/50/912796250.db2.gz PWXBXTPIVWCVKG-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976446 884625129 /nfs/dbraw/zinc/62/51/29/884625129.db2.gz BBESXNXGPKBZJD-RKDXNWHRSA-N 0 1 299.327 -0.613 20 5 CBBDMN CC(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976325 884625353 /nfs/dbraw/zinc/62/53/53/884625353.db2.gz ZWQLNYCWJQALCA-NXEZZACHSA-N 0 1 299.327 -0.613 20 5 CBBDMN Cn1nnc2c1CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC001326780552 885140862 /nfs/dbraw/zinc/14/08/62/885140862.db2.gz JGYIFQYQWWCMBP-ZCFIWIBFSA-N 0 1 291.271 -0.266 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2c(=O)[nH]cnc2C1 ZINC001326792830 885149032 /nfs/dbraw/zinc/14/90/32/885149032.db2.gz PKNFNVAXZYUGDU-VXNVDRBHSA-N 0 1 264.241 -0.268 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CCC(O)(CO)CC2)n1 ZINC001328430324 885684592 /nfs/dbraw/zinc/68/45/92/885684592.db2.gz YHKVYNTWDSAYLV-UHFFFAOYSA-N 0 1 270.289 -0.390 20 5 CBBDMN CC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001329087753 885921082 /nfs/dbraw/zinc/92/10/82/885921082.db2.gz PQOUSTVLUBXRBC-SSDOTTSWSA-N 0 1 267.245 -0.332 20 5 CBBDMN CNC(=O)[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426496 886062185 /nfs/dbraw/zinc/06/21/85/886062185.db2.gz FCVKEUXMLHPVTD-WDEREUQCSA-N 0 1 283.284 -0.675 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)OCc2nnc[nH]2)n1 ZINC001329430057 886062289 /nfs/dbraw/zinc/06/22/89/886062289.db2.gz UMWANLLFHQIEBM-UHFFFAOYSA-N 0 1 252.190 -0.197 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](CO)C1 ZINC001333428879 887635166 /nfs/dbraw/zinc/63/51/66/887635166.db2.gz LKLUVSAVKRZOSP-LBPRGKRZSA-N 0 1 296.327 -0.635 20 5 CBBDMN C[C@@H](C[S@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001337707049 889068003 /nfs/dbraw/zinc/06/80/03/889068003.db2.gz HEJFSZQOGJPTME-AAODDVHNSA-N 0 1 260.275 -0.185 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1nnc[nH]1 ZINC001339506832 889283046 /nfs/dbraw/zinc/28/30/46/889283046.db2.gz QVFXSOKZHSYIQH-UHFFFAOYSA-N 0 1 279.260 -0.124 20 5 CBBDMN Cc1nn(C)c(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001348480591 890631606 /nfs/dbraw/zinc/63/16/06/890631606.db2.gz ZQTNQZKAXUMTNB-SECBINFHSA-N 0 1 297.315 -0.567 20 5 CBBDMN O=C(Cc1c[nH]cn1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001350016701 890923058 /nfs/dbraw/zinc/92/30/58/890923058.db2.gz NEPRPTRPENHVMO-NXEZZACHSA-N 0 1 295.299 -0.760 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001451184198 913776237 /nfs/dbraw/zinc/77/62/37/913776237.db2.gz LYSJYSDCOZFMIO-YUMQZZPRSA-N 0 1 298.299 -0.134 20 5 CBBDMN C[C@](CO)(NC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC001460623351 914804020 /nfs/dbraw/zinc/80/40/20/914804020.db2.gz ZMJQTIXZYAYHCO-VXGBXAGGSA-N 0 1 270.285 -0.255 20 5 CBBDMN O=C(NCc1nnnn1CC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001435991920 910414685 /nfs/dbraw/zinc/41/46/85/910414685.db2.gz BMHRRSIEZGPSNP-HTQZYQBOSA-N 0 1 266.261 -0.636 20 5 CBBDMN CS(=O)(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001462633062 914882517 /nfs/dbraw/zinc/88/25/17/914882517.db2.gz UUGUOLPFBAEBOK-IWSPIJDZSA-N 0 1 291.329 -0.951 20 5 CBBDMN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001466466402 915120396 /nfs/dbraw/zinc/12/03/96/915120396.db2.gz RIYFIRWVQOPHQK-RQJHMYQMSA-N 0 1 298.255 -0.625 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2n[nH]c(=O)cc2C1 ZINC001467286034 915197204 /nfs/dbraw/zinc/19/72/04/915197204.db2.gz OEBRAKMQHOZAFX-VXNVDRBHSA-N 0 1 264.241 -0.268 20 5 CBBDMN NS(=O)(=O)C1CN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001473540887 915829166 /nfs/dbraw/zinc/82/91/66/915829166.db2.gz DOPBJGGQIHORPM-UHFFFAOYSA-N 0 1 287.297 -0.227 20 5 CBBDMN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001496012040 920003857 /nfs/dbraw/zinc/00/38/57/920003857.db2.gz FTWIVMBYUMHLBV-RKDXNWHRSA-N 0 1 296.283 -0.164 20 5 CBBDMN CC(C)NC(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001499664133 920763556 /nfs/dbraw/zinc/76/35/56/920763556.db2.gz BNIIIWKDJCUOIV-GHMZBOCLSA-N 0 1 298.343 -0.681 20 5 CBBDMN C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001518768277 922268106 /nfs/dbraw/zinc/26/81/06/922268106.db2.gz GFYPYPFAGQYFCY-XLPZGREQSA-N 0 1 264.303 -0.409 20 5 CBBDMN CC(=O)N(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001521283619 922347465 /nfs/dbraw/zinc/34/74/65/922347465.db2.gz WGNKEZFYRSTQJN-VXGBXAGGSA-N 0 1 299.327 -0.517 20 5 CBBDMN Cc1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001522514718 922441985 /nfs/dbraw/zinc/44/19/85/922441985.db2.gz SGWHKLFSTRAGIZ-HTQZYQBOSA-N 0 1 282.256 -0.506 20 5 CBBDMN Cc1cccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001522519965 922443960 /nfs/dbraw/zinc/44/39/60/922443960.db2.gz ZQGJNULEAPQZRW-MWLCHTKSSA-N 0 1 292.295 -0.099 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001523406623 922590301 /nfs/dbraw/zinc/59/03/01/922590301.db2.gz UMNOTEQWZZXNSX-HTQZYQBOSA-N 0 1 296.287 -0.952 20 5 CBBDMN CCOCCC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528111071 922805562 /nfs/dbraw/zinc/80/55/62/922805562.db2.gz OEDXVTKCOQROKZ-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccn1C ZINC001528109836 922806559 /nfs/dbraw/zinc/80/65/59/922806559.db2.gz DXHKTTZHSDRZFT-MWLCHTKSSA-N 0 1 294.311 -0.122 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1nn[nH]n1 ZINC001532085842 923020059 /nfs/dbraw/zinc/02/00/59/923020059.db2.gz VMWZXWAYSQJMMV-UHFFFAOYSA-N 0 1 266.221 -0.724 20 5 CBBDMN CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001535198382 923185966 /nfs/dbraw/zinc/18/59/66/923185966.db2.gz ZCQMSEBGZQWMAN-DJLDLDEBSA-N 0 1 255.274 -0.221 20 5 CBBDMN COCCCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001536289999 923208412 /nfs/dbraw/zinc/20/84/12/923208412.db2.gz YBSPZNIHPQVIKQ-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN O=C(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC001539301745 923253789 /nfs/dbraw/zinc/25/37/89/923253789.db2.gz VGJBGNZKHFJFMF-RKDXNWHRSA-N 0 1 271.273 -0.983 20 5 CBBDMN COC(=O)[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001542651116 923273325 /nfs/dbraw/zinc/27/33/25/923273325.db2.gz OAOLWYYGUUTJKN-RXMQYKEDSA-N 0 1 256.218 -0.143 20 5 CBBDMN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001543257583 923286732 /nfs/dbraw/zinc/28/67/32/923286732.db2.gz NMOBBLRCEJGVGE-XLPZGREQSA-N 0 1 262.287 -0.798 20 5 CBBDMN CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001543359371 923290202 /nfs/dbraw/zinc/29/02/02/923290202.db2.gz PGPOYSLUXHANMH-DJLDLDEBSA-N 0 1 255.274 -0.364 20 5 CBBDMN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001544139075 923298885 /nfs/dbraw/zinc/29/88/85/923298885.db2.gz JHNYCYIFKPTNEV-SCZZXKLOSA-N 0 1 296.331 -0.318 20 5 CBBDMN O=C(N[C@H](CO)[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001546304519 923340848 /nfs/dbraw/zinc/34/08/48/923340848.db2.gz JNGVQWOAEXGRNE-NKWVEPMBSA-N 0 1 270.245 -0.555 20 5 CBBDMN C[C@@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000124628824 187146737 /nfs/dbraw/zinc/14/67/37/187146737.db2.gz TVLCSNSNACEFLJ-MRVPVSSYSA-N 0 1 253.262 -0.388 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2n[nH]nc2C1 ZINC000351651442 219164610 /nfs/dbraw/zinc/16/46/10/219164610.db2.gz XUIIAFUZWUWFIU-UHFFFAOYSA-N 0 1 290.283 -0.067 20 5 CBBDMN CS(=O)(=O)N1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000047297753 351459413 /nfs/dbraw/zinc/45/94/13/351459413.db2.gz OWZCZNYZZGMKMP-IUCAKERBSA-N 0 1 291.329 -0.855 20 5 CBBDMN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000047296155 351459573 /nfs/dbraw/zinc/45/95/73/351459573.db2.gz KSDXDMFWTWWSAT-SFYZADRCSA-N 0 1 296.283 -0.063 20 5 CBBDMN Cn1c(C(=O)NCC(=O)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000040507975 351416848 /nfs/dbraw/zinc/41/68/48/351416848.db2.gz PYKZKWMDKPKJFL-UHFFFAOYSA-N 0 1 295.299 -0.905 20 5 CBBDMN O=C(NCc1nnc2n1CCCC2)[C@H]1CC1[N+](=O)[O-] ZINC000048792374 351478535 /nfs/dbraw/zinc/47/85/35/351478535.db2.gz LCPNUHRJHOMHBP-YUMQZZPRSA-N 0 1 265.273 -0.104 20 5 CBBDMN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000054377248 351535980 /nfs/dbraw/zinc/53/59/80/351535980.db2.gz DGNIEXPXYVVOIG-UHFFFAOYSA-N 0 1 281.316 -0.100 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000074396232 351661378 /nfs/dbraw/zinc/66/13/78/351661378.db2.gz PONZETXLLYSJKG-GHMZBOCLSA-N 0 1 279.300 -0.266 20 5 CBBDMN CN(C)C(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000076947896 351679062 /nfs/dbraw/zinc/67/90/62/351679062.db2.gz ADBGGZRJQWZJGT-QWRGUYRKSA-N 0 1 298.343 -0.726 20 5 CBBDMN CCNC(=O)CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075642593 351669504 /nfs/dbraw/zinc/66/95/04/351669504.db2.gz ILWUCBVTSOWPLN-JTQLQIEISA-N 0 1 285.304 -0.780 20 5 CBBDMN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C)C1=O ZINC000075752620 351671072 /nfs/dbraw/zinc/67/10/72/351671072.db2.gz GCMHBXPWGNENKT-QWRGUYRKSA-N 0 1 297.315 -0.685 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cnc[nH]1 ZINC000088753491 351727039 /nfs/dbraw/zinc/72/70/39/351727039.db2.gz OUNKKPTWSGADEQ-UHFFFAOYSA-N 0 1 250.218 -0.169 20 5 CBBDMN COCCN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525270 351741266 /nfs/dbraw/zinc/74/12/66/351741266.db2.gz IKDDYOSCTAFGJU-UHFFFAOYSA-N 0 1 285.300 -0.303 20 5 CBBDMN Cc1nnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000112703062 351810571 /nfs/dbraw/zinc/81/05/71/351810571.db2.gz OICHWVZIYQOFSG-UHFFFAOYSA-N 0 1 251.206 -0.143 20 5 CBBDMN Cc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000112703062 351810572 /nfs/dbraw/zinc/81/05/72/351810572.db2.gz OICHWVZIYQOFSG-UHFFFAOYSA-N 0 1 251.206 -0.143 20 5 CBBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCOCC1 ZINC000159860524 351966695 /nfs/dbraw/zinc/96/66/95/351966695.db2.gz DPYIWSBGTOCRFF-MRVPVSSYSA-N 0 1 283.288 -0.232 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2C[C@@H](O)C[C@@H]2CO)n1 ZINC000185175842 352116696 /nfs/dbraw/zinc/11/66/96/352116696.db2.gz LJWMXKDUIBZBJP-BDAKNGLRSA-N 0 1 256.262 -0.781 20 5 CBBDMN C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1nnc[nH]1 ZINC000225065314 352246993 /nfs/dbraw/zinc/24/69/93/352246993.db2.gz RRQFGGUFDPCVSW-ZCFIWIBFSA-N 0 1 265.233 -0.213 20 5 CBBDMN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000225069975 352247104 /nfs/dbraw/zinc/24/71/04/352247104.db2.gz BYTQPFKHVYXAER-ZCFIWIBFSA-N 0 1 265.233 -0.213 20 5 CBBDMN CNC(=O)[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226932 352345180 /nfs/dbraw/zinc/34/51/80/352345180.db2.gz CZVQRAWAACHZFR-GHMZBOCLSA-N 0 1 297.315 -0.637 20 5 CBBDMN COC(=O)[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274724623 352544505 /nfs/dbraw/zinc/54/45/05/352544505.db2.gz YMPRXXKAXNLVPX-VIFPVBQESA-N 0 1 284.224 -0.436 20 5 CBBDMN COC(=O)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270605635 352496784 /nfs/dbraw/zinc/49/67/84/352496784.db2.gz MVDLPIHQDVKVEC-RXMQYKEDSA-N 0 1 256.218 -0.001 20 5 CBBDMN C[NH+](C)C[C@](C)(O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274985105 352550348 /nfs/dbraw/zinc/55/03/48/352550348.db2.gz QKVXFJZCKSVQRD-GFCCVEGCSA-N 0 1 298.299 -0.262 20 5 CBBDMN O=C(N[C@H](CO)C[NH+]1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000293554260 352694738 /nfs/dbraw/zinc/69/47/38/352694738.db2.gz HHVVCOCKTVCSDC-VIFPVBQESA-N 0 1 297.315 -0.106 20 5 CBBDMN O=C(N[C@H](CO)CN1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000293554260 352694742 /nfs/dbraw/zinc/69/47/42/352694742.db2.gz HHVVCOCKTVCSDC-VIFPVBQESA-N 0 1 297.315 -0.106 20 5 CBBDMN NC(=O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336813900 353059507 /nfs/dbraw/zinc/05/95/07/353059507.db2.gz VWLLMZMHQIDLEZ-UHFFFAOYSA-N 0 1 291.260 -0.112 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]3C(=O)NC[C@@H]32)c1[N+](=O)[O-] ZINC000337155579 353077071 /nfs/dbraw/zinc/07/70/71/353077071.db2.gz UVJSDUTUASXKFH-SFYZADRCSA-N 0 1 293.283 -0.023 20 5 CBBDMN O=C(NCCn1cccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000343216785 353260474 /nfs/dbraw/zinc/26/04/74/353260474.db2.gz IJBQUVZFJYOVHU-UHFFFAOYSA-N 0 1 250.218 -0.056 20 5 CBBDMN CC(=O)N1CC(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343278041 353263132 /nfs/dbraw/zinc/26/31/32/353263132.db2.gz SUDZJXACUVZTQO-UHFFFAOYSA-N 0 1 253.218 -0.722 20 5 CBBDMN NC(=O)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000343825843 353293328 /nfs/dbraw/zinc/29/33/28/353293328.db2.gz JONPTNNEDDSHPA-UHFFFAOYSA-N 0 1 290.239 -0.258 20 5 CBBDMN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346343197 353372710 /nfs/dbraw/zinc/37/27/10/353372710.db2.gz FLEAEYCWBSXPRW-RNFRBKRXSA-N 0 1 281.272 -0.038 20 5 CBBDMN C[C@@H](CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1)c1nn[nH]n1 ZINC000352473664 353486994 /nfs/dbraw/zinc/48/69/94/353486994.db2.gz WTSXCYBYHXVHJD-ZETCQYMHSA-N 0 1 294.275 -0.434 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353222590 353528902 /nfs/dbraw/zinc/52/89/02/353528902.db2.gz ZWGNXHZGZVEBHJ-ZETCQYMHSA-N 0 1 289.317 -0.549 20 5 CBBDMN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C)C1=O ZINC000352657296 353499115 /nfs/dbraw/zinc/49/91/15/353499115.db2.gz GCMHBXPWGNENKT-GHMZBOCLSA-N 0 1 297.315 -0.685 20 5 CBBDMN COC[C@H](C(N)=O)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000354638256 353574133 /nfs/dbraw/zinc/57/41/33/353574133.db2.gz BELDPHHKRYGGME-SNVBAGLBSA-N 0 1 297.267 -0.127 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)OC[C@H]2C1 ZINC000371992105 353709065 /nfs/dbraw/zinc/70/90/65/353709065.db2.gz NSHUTKWPZINBOU-BWZBUEFSSA-N 0 1 255.230 -0.685 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](n2cncn2)C1 ZINC000372472605 353717061 /nfs/dbraw/zinc/71/70/61/353717061.db2.gz IWHRJDHXCHFUEM-IWSPIJDZSA-N 0 1 251.246 -0.283 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(F)(F)C[C@@H]1CO ZINC000372548003 353718338 /nfs/dbraw/zinc/71/83/38/353718338.db2.gz PLLLDXWCZBJLAA-QYNIQEEDSA-N 0 1 250.201 -0.120 20 5 CBBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372709496 353721144 /nfs/dbraw/zinc/72/11/44/353721144.db2.gz AZSFLZWHIKBMNR-ZJDVBMNYSA-N 0 1 267.285 -0.236 20 5 CBBDMN CCc1noc([C@H]2C[C@H](O)CN2C(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000373427923 353731571 /nfs/dbraw/zinc/73/15/71/353731571.db2.gz RYHUACGFVLVLLK-RBXMUDONSA-N 0 1 296.283 -0.069 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]2(CNC(=O)O2)C1 ZINC000375542011 353762381 /nfs/dbraw/zinc/76/23/81/353762381.db2.gz RWZJREHODKCRLU-XLDPMVHQSA-N 0 1 269.257 -0.247 20 5 CBBDMN CC(C)(O)c1cn(C2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000375775864 353767487 /nfs/dbraw/zinc/76/74/87/353767487.db2.gz FTJSGFAZYHKOJS-DTWKUNHWSA-N 0 1 295.299 -0.446 20 5 CBBDMN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000376410343 353775190 /nfs/dbraw/zinc/77/51/90/353775190.db2.gz GWISJGMSRKCERT-BGZDPUMWSA-N 0 1 272.257 -0.824 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000374146288 353741899 /nfs/dbraw/zinc/74/18/99/353741899.db2.gz RPSGQQOLHGGQHW-VGMNWLOBSA-N 0 1 281.272 -0.322 20 5 CBBDMN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000374146288 353741901 /nfs/dbraw/zinc/74/19/01/353741901.db2.gz RPSGQQOLHGGQHW-VGMNWLOBSA-N 0 1 281.272 -0.322 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)cn1 ZINC000374243242 353743568 /nfs/dbraw/zinc/74/35/68/353743568.db2.gz INTXZGOMZRTJNQ-KXUCPTDWSA-N 0 1 293.283 -0.693 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000408071588 353844303 /nfs/dbraw/zinc/84/43/03/353844303.db2.gz OBBLRIXXDNAFCG-BDAKNGLRSA-N 0 1 282.304 -0.263 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC000444313254 354268988 /nfs/dbraw/zinc/26/89/88/354268988.db2.gz GZDFPFCYAHXPCU-BQBZGAKWSA-N 0 1 284.272 -0.552 20 5 CBBDMN O=C(NCc1nnc[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445176954 354280861 /nfs/dbraw/zinc/28/08/61/354280861.db2.gz HPXCTDFKBLBVQQ-UHFFFAOYSA-N 0 1 264.201 -0.257 20 5 CBBDMN O=C(NC[C@H]1CCCCN1CCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452379170 354349693 /nfs/dbraw/zinc/34/96/93/354349693.db2.gz QLXMYGSZEMQJRY-SECBINFHSA-N 0 1 297.315 -0.106 20 5 CBBDMN CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000495925398 354526789 /nfs/dbraw/zinc/52/67/89/354526789.db2.gz CTVOCQSFGNXNLA-IWSPIJDZSA-N 0 1 271.273 -0.049 20 5 CBBDMN CN(C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533534699 354593337 /nfs/dbraw/zinc/59/33/37/354593337.db2.gz JUKLENRRNFQOCX-UHFFFAOYSA-N 0 1 274.302 -0.170 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC000545988160 354650445 /nfs/dbraw/zinc/65/04/45/354650445.db2.gz KHROUQXRYMUPRE-IONNQARKSA-N 0 1 298.299 -0.304 20 5 CBBDMN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565598420 354741149 /nfs/dbraw/zinc/74/11/49/354741149.db2.gz YKVFYAYXTIHJCZ-ZETCQYMHSA-N 0 1 274.302 -0.137 20 5 CBBDMN O=C(N[C@H](CO)CN1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000590371623 355076294 /nfs/dbraw/zinc/07/62/94/355076294.db2.gz PANIQSLVQVPHBE-QMMMGPOBSA-N 0 1 283.288 -0.496 20 5 CBBDMN CC1(C)CNCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000592473465 355156028 /nfs/dbraw/zinc/15/60/28/355156028.db2.gz QSZIOHXLXRMQOZ-UHFFFAOYSA-N 0 1 294.311 -0.033 20 5 CBBDMN CCNC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743023 355260056 /nfs/dbraw/zinc/26/00/56/355260056.db2.gz DPYOJKLXCANGFB-UHFFFAOYSA-N 0 1 288.285 -0.596 20 5 CBBDMN C[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760616 355261315 /nfs/dbraw/zinc/26/13/15/355261315.db2.gz UHFIZAAQJFIKAG-ZCFIWIBFSA-N 0 1 261.259 -0.351 20 5 CBBDMN COC[C@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594780137 355262151 /nfs/dbraw/zinc/26/21/51/355262151.db2.gz GSXHFISLLSCQRA-SSDOTTSWSA-N 0 1 291.285 -0.725 20 5 CBBDMN COc1ccc(CNC(=O)C2(O)CNC2)cc1[N+](=O)[O-] ZINC000595930992 355320079 /nfs/dbraw/zinc/32/00/79/355320079.db2.gz DWJLOPCRHJWEGE-UHFFFAOYSA-N 0 1 281.268 -0.446 20 5 CBBDMN Cc1c(CNC(=O)C2(O)CNC2)cccc1[N+](=O)[O-] ZINC000595952890 355326437 /nfs/dbraw/zinc/32/64/37/355326437.db2.gz BYXGYXOLJIZEIW-UHFFFAOYSA-N 0 1 265.269 -0.146 20 5 CBBDMN CCCc1[nH]nc(C(=O)N2CC(O)(CO)C2)c1[N+](=O)[O-] ZINC000597705169 355411045 /nfs/dbraw/zinc/41/10/45/355411045.db2.gz JOOOCXPCKHXNOO-UHFFFAOYSA-N 0 1 284.272 -0.550 20 5 CBBDMN O=C(N[C@H]1CCNC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597853829 355422533 /nfs/dbraw/zinc/42/25/33/355422533.db2.gz BRSAMLSYFQMVCA-VIFPVBQESA-N 0 1 265.225 -0.081 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC(=O)N(C)CC2)c1[N+](=O)[O-] ZINC000598294328 355438137 /nfs/dbraw/zinc/43/81/37/355438137.db2.gz RWGZQSGQILTRPJ-UHFFFAOYSA-N 0 1 281.272 -0.069 20 5 CBBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CC[C@H](O)C1 ZINC000599199636 355472596 /nfs/dbraw/zinc/47/25/96/355472596.db2.gz NYZVMFKMLQGRHE-VIFPVBQESA-N 0 1 295.299 -0.433 20 5 CBBDMN C[C@@H](CCCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599257795 355474562 /nfs/dbraw/zinc/47/45/62/355474562.db2.gz MEJQWDRDELAFBK-ZETCQYMHSA-N 0 1 292.317 -0.232 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]2(C)CCOC2)n1 ZINC000599263727 355474724 /nfs/dbraw/zinc/47/47/24/355474724.db2.gz JMJWNBWNSNNDOD-SECBINFHSA-N 0 1 290.301 -0.214 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(CO)CCC2)n1 ZINC000599282336 355475588 /nfs/dbraw/zinc/47/55/88/355475588.db2.gz IROXXBQWPISDJC-UHFFFAOYSA-N 0 1 290.301 -0.478 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)CCF)n1 ZINC000599343152 355481652 /nfs/dbraw/zinc/48/16/52/355481652.db2.gz NZKYXEIYLYDTHK-LURJTMIESA-N 0 1 296.280 -0.673 20 5 CBBDMN NC(=O)[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000600316777 355536341 /nfs/dbraw/zinc/53/63/41/355536341.db2.gz GEBDRVMFLSOBJX-URHBZAFASA-N 0 1 253.218 -0.688 20 5 CBBDMN Cc1n[nH]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600536668 355556919 /nfs/dbraw/zinc/55/69/19/355556919.db2.gz VALVALKRCBRICH-MRVPVSSYSA-N 0 1 283.288 -0.577 20 5 CBBDMN Cc1n[nH]c(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600536668 355556923 /nfs/dbraw/zinc/55/69/23/355556923.db2.gz VALVALKRCBRICH-MRVPVSSYSA-N 0 1 283.288 -0.577 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC[C@@H](O)C1 ZINC000600535706 355557144 /nfs/dbraw/zinc/55/71/44/355557144.db2.gz RFGRBSQGWFZEQY-SNVBAGLBSA-N 0 1 297.315 -0.717 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599940244 355519625 /nfs/dbraw/zinc/51/96/25/355519625.db2.gz NDZACYUSOMZZIC-DTWKUNHWSA-N 0 1 295.299 -0.401 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599940244 355519628 /nfs/dbraw/zinc/51/96/28/355519628.db2.gz NDZACYUSOMZZIC-DTWKUNHWSA-N 0 1 295.299 -0.401 20 5 CBBDMN Nc1c(C(=O)NCCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600807396 355567115 /nfs/dbraw/zinc/56/71/15/355567115.db2.gz BTZZFLKRGYHYIH-VIFPVBQESA-N 0 1 294.311 -0.027 20 5 CBBDMN O=C(NCc1nn[nH]n1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609493534 355770537 /nfs/dbraw/zinc/77/05/37/355770537.db2.gz KXQKFKXBWYSJGF-UHFFFAOYSA-N 0 1 288.227 -0.086 20 5 CBBDMN CCN(CC(=O)N(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610367555 355777800 /nfs/dbraw/zinc/77/78/00/355777800.db2.gz XTZDWGPYJNRLSP-LLVKDONJSA-N 0 1 299.331 -0.438 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2C[C@H](O)C[C@H](O)C2)n1 ZINC000610604424 355782794 /nfs/dbraw/zinc/78/27/94/355782794.db2.gz RLUAPTROHORSMJ-DTORHVGOSA-N 0 1 256.262 -0.781 20 5 CBBDMN O=C(NCc1nn[nH]n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611513983 355804071 /nfs/dbraw/zinc/80/40/71/355804071.db2.gz AXDGMMOPECTACG-UHFFFAOYSA-N 0 1 292.211 -0.233 20 5 CBBDMN NC(=O)[C@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619254988 356213055 /nfs/dbraw/zinc/21/30/55/356213055.db2.gz SAORBWZUXUBGAE-MRVPVSSYSA-N 0 1 293.239 -0.953 20 5 CBBDMN CCN1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000619825589 356229326 /nfs/dbraw/zinc/22/93/26/356229326.db2.gz UJUQCBVGZHAODP-LURJTMIESA-N 0 1 267.245 -0.332 20 5 CBBDMN CN1C[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])C1=O ZINC000375409374 283217684 /nfs/dbraw/zinc/21/76/84/283217684.db2.gz SZYWXUBXGHSOMW-XFWSIPNHSA-N 0 1 267.285 -0.269 20 5 CBBDMN CC(C)[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000341947516 216162458 /nfs/dbraw/zinc/16/24/58/216162458.db2.gz SGJFGVLLBFNMSH-JTQLQIEISA-N 0 1 269.261 -0.052 20 5 CBBDMN O=C(NC[C@@H]1CN2CCN1CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000179184771 189175533 /nfs/dbraw/zinc/17/55/33/189175533.db2.gz MBIGKSDUJIXHJZ-MRVPVSSYSA-N 0 1 280.288 -0.953 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@]2(CCOC2)C1 ZINC000375089054 296065594 /nfs/dbraw/zinc/06/55/94/296065594.db2.gz XSKORODLMZXYDC-YWVKMMECSA-N 0 1 256.258 -0.331 20 5 CBBDMN CN1CCN(C)[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330695130 203125331 /nfs/dbraw/zinc/12/53/31/203125331.db2.gz IZXBIKWLRZYKNA-JTQLQIEISA-N 0 1 296.331 -0.847 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCC1 ZINC000337321964 214006051 /nfs/dbraw/zinc/00/60/51/214006051.db2.gz QSCLBMDQYWBYSF-UHFFFAOYSA-N 0 1 253.262 -0.387 20 5 CBBDMN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nnc[nH]1 ZINC000355795555 373162914 /nfs/dbraw/zinc/16/29/14/373162914.db2.gz SLFIRMCPEMBXMY-SSDOTTSWSA-N 0 1 292.255 -0.248 20 5 CBBDMN CCN(C)C(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360979395 373253193 /nfs/dbraw/zinc/25/31/93/373253193.db2.gz LNXMPDPLEBSGHY-UHFFFAOYSA-N 0 1 255.234 -0.474 20 5 CBBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](O)CO)c1[N+](=O)[O-] ZINC000355636281 248188922 /nfs/dbraw/zinc/18/89/22/248188922.db2.gz WAPCXBGDJMVXJF-SSDOTTSWSA-N 0 1 286.288 -0.304 20 5 CBBDMN COCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000356775408 248286552 /nfs/dbraw/zinc/28/65/52/248286552.db2.gz KGYPCRGKMQDJQA-JTQLQIEISA-N 0 1 297.267 -0.079 20 5 CBBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356870079 248295494 /nfs/dbraw/zinc/29/54/94/248295494.db2.gz CXQPOMRPSYSSIA-DTWKUNHWSA-N 0 1 282.304 -0.263 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000356926264 248301106 /nfs/dbraw/zinc/30/11/06/248301106.db2.gz SQLGKBIEJOVXFQ-NXEZZACHSA-N 0 1 294.311 -0.035 20 5 CBBDMN Cn1nnnc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357110814 248323852 /nfs/dbraw/zinc/32/38/52/248323852.db2.gz RAWKSGLBYMMKPC-UHFFFAOYSA-N 0 1 278.228 -0.246 20 5 CBBDMN CCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000268245354 190389370 /nfs/dbraw/zinc/38/93/70/190389370.db2.gz WBXNFRBYUSITHB-QMMMGPOBSA-N 0 1 294.275 -0.038 20 5 CBBDMN NC(=O)[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000428018237 208075814 /nfs/dbraw/zinc/07/58/14/208075814.db2.gz STQXBZIBHHWWBV-JTQLQIEISA-N 0 1 295.251 -0.373 20 5 CBBDMN CCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000364543149 285218358 /nfs/dbraw/zinc/21/83/58/285218358.db2.gz LREHHKCYDAGBRU-BDAKNGLRSA-N 0 1 255.274 -0.268 20 5 CBBDMN C[C@@H](O)CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000275381096 135105860 /nfs/dbraw/zinc/10/58/60/135105860.db2.gz PDPGNIWGUVTANI-RKDXNWHRSA-N 0 1 296.331 -0.142 20 5 CBBDMN CN(CC(=O)N1CCNCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000038031262 174025253 /nfs/dbraw/zinc/02/52/53/174025253.db2.gz KIQYHZZJDAIDSL-UHFFFAOYSA-N 0 1 295.299 -0.573 20 5 CBBDMN C[C@@](O)(CO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355292429 419867454 /nfs/dbraw/zinc/86/74/54/419867454.db2.gz QVSWROMVOXHNAN-LBPRGKRZSA-N 0 1 294.267 -0.056 20 5 CBBDMN Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000360272065 420013856 /nfs/dbraw/zinc/01/38/56/420013856.db2.gz XNAATQSBYJGEIT-HLTSFMKQSA-N 0 1 265.273 -0.317 20 5 CBBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000365304351 420059028 /nfs/dbraw/zinc/05/90/28/420059028.db2.gz IVYGCGKQBLMJDA-HLTSFMKQSA-N 0 1 276.314 -0.313 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CCN3CCOC[C@H]3C2)c1 ZINC000368329345 420129086 /nfs/dbraw/zinc/12/90/86/420129086.db2.gz SJXBLWNFXBCRLH-GFCCVEGCSA-N 0 1 281.316 -0.192 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000370242264 420175064 /nfs/dbraw/zinc/17/50/64/420175064.db2.gz ICGBXHDIFCXYNH-VWYCJHECSA-N 0 1 280.284 -0.015 20 5 CBBDMN O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000519707271 420385161 /nfs/dbraw/zinc/38/51/61/420385161.db2.gz CJYYYHGSOHBVAH-SECBINFHSA-N 0 1 296.283 -0.196 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000378047634 230309317 /nfs/dbraw/zinc/30/93/17/230309317.db2.gz JNTURNGGRMIKPT-LNGZZDABSA-N 0 1 297.311 -0.406 20 5 CBBDMN CC(C)(CO)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609839741 420494441 /nfs/dbraw/zinc/49/44/41/420494441.db2.gz JVTRNOFQRNSZFK-UHFFFAOYSA-N 0 1 296.331 -0.140 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H](O)CO)c1[N+](=O)[O-] ZINC000354163197 276040080 /nfs/dbraw/zinc/04/00/80/276040080.db2.gz YFEOGTRQMIQSAU-SSDOTTSWSA-N 0 1 286.288 -0.134 20 5 CBBDMN CN1C(=O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000581675876 336126963 /nfs/dbraw/zinc/12/69/63/336126963.db2.gz GYTCPZOUDLDMEZ-UHFFFAOYSA-N 0 1 293.235 -0.259 20 5 CBBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1C[NH2+]C1 ZINC000123482689 582119351 /nfs/dbraw/zinc/11/93/51/582119351.db2.gz WTBSWNTVKZLUFT-UHFFFAOYSA-N 0 1 275.261 -0.016 20 5 CBBDMN O=C(NCc1nn[nH]n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000732158158 582157004 /nfs/dbraw/zinc/15/70/04/582157004.db2.gz VWBILOXEUCTSKY-UHFFFAOYSA-N 0 1 293.199 -0.054 20 5 CBBDMN NC(=O)NCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000735809679 582189290 /nfs/dbraw/zinc/18/92/90/582189290.db2.gz BJRQUNAWRSJTER-UHFFFAOYSA-N 0 1 292.255 -0.131 20 5 CBBDMN CCc1nc(COC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000754787222 582300070 /nfs/dbraw/zinc/30/00/70/582300070.db2.gz CBPXTJVNKJDGAF-UHFFFAOYSA-N 0 1 281.232 -0.390 20 5 CBBDMN CC1N=NC(=S)N1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764347176 582323052 /nfs/dbraw/zinc/32/30/52/582323052.db2.gz IQTUHOIKXVIQJK-UHFFFAOYSA-N 0 1 297.300 -0.063 20 5 CBBDMN NC(=O)[C@]1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473219 582386206 /nfs/dbraw/zinc/38/62/06/582386206.db2.gz IDTPJSZXMPDCNK-YPMHNXCESA-N 0 1 295.295 -0.450 20 5 CBBDMN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1c[nH]nn1 ZINC000789931248 582389484 /nfs/dbraw/zinc/38/94/84/582389484.db2.gz DCLNQLWQNKVHKN-UHFFFAOYSA-N 0 1 251.206 -0.062 20 5 CBBDMN C[N@@H+](CCC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818463016 582508128 /nfs/dbraw/zinc/50/81/28/582508128.db2.gz JPPOBRQMQRZTSW-VIFPVBQESA-N 0 1 272.261 -0.441 20 5 CBBDMN O=C([O-])[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819281564 582531554 /nfs/dbraw/zinc/53/15/54/582531554.db2.gz WHAGJLWIFHXFLF-WCBMZHEXSA-N 0 1 284.272 -0.441 20 5 CBBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828024249 582840590 /nfs/dbraw/zinc/84/05/90/582840590.db2.gz KHLLJHFWIJTWMN-CMPLNLGQSA-N 0 1 298.299 -0.051 20 5 CBBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCC1 ZINC000839608387 583156751 /nfs/dbraw/zinc/15/67/51/583156751.db2.gz SSDAHUWLGSQULE-RKDXNWHRSA-N 0 1 255.274 -0.173 20 5 CBBDMN CC(C)N1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839631848 583156827 /nfs/dbraw/zinc/15/68/27/583156827.db2.gz MZMXGZOIKJIUML-IWSPIJDZSA-N 0 1 255.274 -0.223 20 5 CBBDMN C[C@H]1CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839619927 583156906 /nfs/dbraw/zinc/15/69/06/583156906.db2.gz CCYFCKWEUMZCRY-IVZWLZJFSA-N 0 1 257.290 -0.512 20 5 CBBDMN COCCN(CCC(=O)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688080 583157833 /nfs/dbraw/zinc/15/78/33/583157833.db2.gz AELFDWIBCPBJCV-RKDXNWHRSA-N 0 1 274.273 -0.310 20 5 CBBDMN CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1=O ZINC000839700500 583158109 /nfs/dbraw/zinc/15/81/09/583158109.db2.gz IXRMMABGKKVSJU-HTQZYQBOSA-N 0 1 255.274 -0.269 20 5 CBBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1OC ZINC000839724768 583158417 /nfs/dbraw/zinc/15/84/17/583158417.db2.gz CSHPZMLPAYNRSM-JDDHQFAOSA-N 0 1 258.274 -0.040 20 5 CBBDMN CC(C)C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839716503 583158444 /nfs/dbraw/zinc/15/84/44/583158444.db2.gz CSXMLOHEOZPFNX-RKDXNWHRSA-N 0 1 257.290 -0.118 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](OCCO)C1 ZINC000839730921 583158631 /nfs/dbraw/zinc/15/86/31/583158631.db2.gz KJMLEFWMOLJKDP-OPRDCNLKSA-N 0 1 258.274 -0.349 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1CCO ZINC000839733092 583158668 /nfs/dbraw/zinc/15/86/68/583158668.db2.gz ZGQKHPSFJBUTGT-OPRDCNLKSA-N 0 1 257.290 -0.823 20 5 CBBDMN O=C(C1CC1)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839739702 583159060 /nfs/dbraw/zinc/15/90/60/583159060.db2.gz KYSQGAYZOPMEAI-OPRDCNLKSA-N 0 1 268.269 -0.142 20 5 CBBDMN CC(C)OC[C@H](CO)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839743609 583159335 /nfs/dbraw/zinc/15/93/35/583159335.db2.gz QPDQRINGAZWXLS-IVZWLZJFSA-N 0 1 260.290 -0.104 20 5 CBBDMN O=C(N[C@H]1C[C@H]2CCCCN2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839793584 583159895 /nfs/dbraw/zinc/15/98/95/583159895.db2.gz UYYZHSQFUZUIRL-DOLQZWNJSA-N 0 1 267.285 -0.079 20 5 CBBDMN CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783927 583160084 /nfs/dbraw/zinc/16/00/84/583160084.db2.gz MXGZZIMDYSOPTB-XLPZGREQSA-N 0 1 279.318 -0.904 20 5 CBBDMN C[C@@H](O)[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000839800803 583160351 /nfs/dbraw/zinc/16/03/51/583160351.db2.gz LAUAPGOFYQGZAJ-LHLIQPBNSA-N 0 1 294.267 -0.057 20 5 CBBDMN COCC[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840437345 583164708 /nfs/dbraw/zinc/16/47/08/583164708.db2.gz QAMDEVIFQVSJGH-KKZNHRDASA-N 0 1 258.274 -0.037 20 5 CBBDMN COC(=O)C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840421061 583164747 /nfs/dbraw/zinc/16/47/47/583164747.db2.gz SQOGQYJBZFCMAF-XLDPMVHQSA-N 0 1 272.257 -0.510 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000840404341 583164853 /nfs/dbraw/zinc/16/48/53/583164853.db2.gz AMFREJUPCAPFEZ-HTQZYQBOSA-N 0 1 255.274 -0.092 20 5 CBBDMN COC(=O)[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCSC1 ZINC000840404786 583164903 /nfs/dbraw/zinc/16/49/03/583164903.db2.gz GPIVPSSJCUKEBT-XSSZXYGBSA-N 0 1 274.298 -0.184 20 5 CBBDMN COC(=O)[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCSC1 ZINC000840404773 583164944 /nfs/dbraw/zinc/16/49/44/583164944.db2.gz GPIVPSSJCUKEBT-BRDIYROLSA-N 0 1 274.298 -0.184 20 5 CBBDMN COC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840460383 583165070 /nfs/dbraw/zinc/16/50/70/583165070.db2.gz SDMNHHMMDOHGIS-DJLDLDEBSA-N 0 1 272.257 -0.558 20 5 CBBDMN C[C@@H]1CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000840673050 583166591 /nfs/dbraw/zinc/16/65/91/583166591.db2.gz XDTBDZDMPSDHJV-ZYUZMQFOSA-N 0 1 286.284 -0.169 20 5 CBBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(N)=O ZINC000840672978 583166626 /nfs/dbraw/zinc/16/66/26/583166626.db2.gz UTSOWYFLAUSSBM-FSDSQADBSA-N 0 1 273.245 -0.586 20 5 CBBDMN COCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672665 583166642 /nfs/dbraw/zinc/16/66/42/583166642.db2.gz KOWAVFWXZNVPQN-IWSPIJDZSA-N 0 1 274.273 -0.264 20 5 CBBDMN C[C@H]1CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000840673043 583166731 /nfs/dbraw/zinc/16/67/31/583166731.db2.gz XDTBDZDMPSDHJV-AXTSPUMRSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=C(OCCN1CCOCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842333826 583183250 /nfs/dbraw/zinc/18/32/50/583183250.db2.gz KDNGUCKYZFUCNV-HTQZYQBOSA-N 0 1 258.230 -0.946 20 5 CBBDMN CCON(C)C(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000846504109 583369922 /nfs/dbraw/zinc/36/99/22/583369922.db2.gz JXJNTDLFFLVDII-UHFFFAOYSA-N 0 1 271.233 -0.542 20 5 CBBDMN Cn1cc(C[C@@H](CO)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000846647230 583379499 /nfs/dbraw/zinc/37/94/99/583379499.db2.gz YSUNFLBRPXMMKH-GMTAPVOTSA-N 0 1 282.300 -0.648 20 5 CBBDMN COCCOc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC000848106565 583428292 /nfs/dbraw/zinc/42/82/92/583428292.db2.gz LTOBYQGRGSRLEJ-NXEZZACHSA-N 0 1 296.283 -0.217 20 5 CBBDMN Cn1cnnc1N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000848304792 583439671 /nfs/dbraw/zinc/43/96/71/583439671.db2.gz UYINSFDYZOAAKO-RKDXNWHRSA-N 0 1 280.288 -0.871 20 5 CBBDMN C[S@@](=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849375058 583478398 /nfs/dbraw/zinc/47/83/98/583478398.db2.gz MZDVJXYLRLIVDR-QGZVFWFLSA-N 0 1 293.326 -0.353 20 5 CBBDMN C[C@@H]1CO[C@@H](C)CN1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855405959 583637410 /nfs/dbraw/zinc/63/74/10/583637410.db2.gz BFKGWKHOGUUEHD-LMLFDSFASA-N 0 1 271.317 -0.123 20 5 CBBDMN COC(=O)N(C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000855942507 583652542 /nfs/dbraw/zinc/65/25/42/583652542.db2.gz UOLXCXNOTIHNQT-UHFFFAOYSA-N 0 1 271.233 -0.254 20 5 CBBDMN CC(C)[C@@H](CO)ONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000857286392 583669869 /nfs/dbraw/zinc/66/98/69/583669869.db2.gz ZSSGATVBUDZHFH-SSDOTTSWSA-N 0 1 258.234 -0.004 20 5 CBBDMN CC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943054517 613812699 /nfs/dbraw/zinc/81/26/99/613812699.db2.gz JLHZTXHNSQNQHT-NXEZZACHSA-N 0 1 255.274 -0.221 20 5 CBBDMN CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976009411 614180751 /nfs/dbraw/zinc/18/07/51/614180751.db2.gz HXDFCFLEGJYPBD-SPFKKGSWSA-N 0 1 253.258 -0.756 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cn[nH]c2)C1 ZINC000954234797 615867443 /nfs/dbraw/zinc/86/74/43/615867443.db2.gz KPLMJSDPEDZIAK-NXEZZACHSA-N 0 1 293.283 -0.642 20 5 CBBDMN C[C@H](O)C1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599351306 656174243 /nfs/dbraw/zinc/17/42/43/656174243.db2.gz XPWVERUTMVSURT-LURJTMIESA-N 0 1 290.301 -0.480 20 5 CBBDMN O=C(Cc1cnoc1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000998065332 656510893 /nfs/dbraw/zinc/51/08/93/656510893.db2.gz VKKBCOLPGIYCRK-NXEZZACHSA-N 0 1 294.267 -0.791 20 5 CBBDMN Cc1nocc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000998738134 656575416 /nfs/dbraw/zinc/57/54/16/656575416.db2.gz GBJIQDBZFSEDHO-PSASIEDQSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(C(F)F)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001009678618 657090615 /nfs/dbraw/zinc/09/06/15/657090615.db2.gz RZZIYAOVCXLDIK-RNFRBKRXSA-N 0 1 277.227 -0.413 20 5 CBBDMN CC(F)(F)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001009791110 657097808 /nfs/dbraw/zinc/09/78/08/657097808.db2.gz DJJXPSLYDQZFJL-HTQZYQBOSA-N 0 1 291.254 -0.022 20 5 CBBDMN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000911805513 657134759 /nfs/dbraw/zinc/13/47/59/657134759.db2.gz AQFWTKGSNGSMMR-KVEIKIFDSA-N 0 1 255.274 -0.225 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NC12CCN(CC1)C2 ZINC000913626902 657563950 /nfs/dbraw/zinc/56/39/50/657563950.db2.gz MCAFCRAUCNFSCJ-UHFFFAOYSA-N 0 1 265.273 -0.244 20 5 CBBDMN O=C(N[C@H]1C[C@H](NCc2csnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138781 658017680 /nfs/dbraw/zinc/01/76/80/658017680.db2.gz ADEKSCFIUWLPMS-KHUVANEUSA-N 0 1 297.340 -0.060 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000922431290 658041410 /nfs/dbraw/zinc/04/14/10/658041410.db2.gz JAGRDUDDWZWCAZ-JLIMGVALSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)F ZINC000972873529 659129899 /nfs/dbraw/zinc/12/98/99/659129899.db2.gz CDQIBQKLEGWVEQ-DBRKOABJSA-N 0 1 277.227 -0.320 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC000973906931 659156644 /nfs/dbraw/zinc/15/66/44/659156644.db2.gz WAHFDLOKVJIOIH-IBCQBUCCSA-N 0 1 293.283 -0.548 20 5 CBBDMN Cc1nc(CN2CCN(CC[N+](=O)[O-])CC2)n[nH]1 ZINC000930072420 659202826 /nfs/dbraw/zinc/20/28/26/659202826.db2.gz CSNJTEVXMNIZMC-UHFFFAOYSA-N 0 1 254.294 -0.493 20 5 CBBDMN Cc1ncoc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990675528 659784426 /nfs/dbraw/zinc/78/44/26/659784426.db2.gz VLDZOBRVOMTOJA-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN Cn1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000990813475 659800458 /nfs/dbraw/zinc/80/04/58/659800458.db2.gz DVHFUYVHNPFUKD-GHMZBOCLSA-N 0 1 292.295 -0.369 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1=CCOCC1 ZINC000990966850 659806975 /nfs/dbraw/zinc/80/69/75/659806975.db2.gz JSSFFBJOGXZHSU-GHMZBOCLSA-N 0 1 295.295 -0.675 20 5 CBBDMN CC(C)(F)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991276400 659829069 /nfs/dbraw/zinc/82/90/69/659829069.db2.gz DQJGUILQMDBKKC-HTQZYQBOSA-N 0 1 273.264 -0.273 20 5 CBBDMN O=C(NC1CN(C(=O)c2cnns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991278501 659829134 /nfs/dbraw/zinc/82/91/34/659829134.db2.gz HZLSQRPXPRGCFI-RNFRBKRXSA-N 0 1 297.296 -0.856 20 5 CBBDMN Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000991281250 659829731 /nfs/dbraw/zinc/82/97/31/659829731.db2.gz RGLBVCADMDSNLW-NXEZZACHSA-N 0 1 293.283 -0.974 20 5 CBBDMN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n[nH]1 ZINC000991280342 659829927 /nfs/dbraw/zinc/82/99/27/659829927.db2.gz PNIFAEBIZSUFLI-PSASIEDQSA-N 0 1 293.283 -0.676 20 5 CBBDMN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC000991280342 659829928 /nfs/dbraw/zinc/82/99/28/659829928.db2.gz PNIFAEBIZSUFLI-PSASIEDQSA-N 0 1 293.283 -0.676 20 5 CBBDMN Cc1nc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c[nH]1 ZINC000991282158 659829978 /nfs/dbraw/zinc/82/99/78/659829978.db2.gz XKHPYSIPNVVELF-PSASIEDQSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(NC1CN(C(=O)c2n[nH]cc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991292782 659830750 /nfs/dbraw/zinc/83/07/50/659830750.db2.gz CLZBRNRQFBIVEB-HTRCEHHLSA-N 0 1 297.246 -0.845 20 5 CBBDMN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063670 790986533 /nfs/dbraw/zinc/98/65/33/790986533.db2.gz GGEPSVBMMQYKOR-UTINFBMNSA-N 0 1 294.315 -0.783 20 5 CBBDMN NC(=O)C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022633549 791033177 /nfs/dbraw/zinc/03/31/77/791033177.db2.gz KRFZUCNENFRJQP-OCAPTIKFSA-N 0 1 298.324 -0.122 20 5 CBBDMN CCN(C(=O)COC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079208945 805898253 /nfs/dbraw/zinc/89/82/53/805898253.db2.gz WSSUWBMOIFRPMU-NXEZZACHSA-N 0 1 285.300 -0.643 20 5 CBBDMN CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080642364 805994666 /nfs/dbraw/zinc/99/46/66/805994666.db2.gz ZJOOWYULOVIHFR-NXEZZACHSA-N 0 1 299.327 -0.469 20 5 CBBDMN CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856634 806012348 /nfs/dbraw/zinc/01/23/48/806012348.db2.gz NZGCQNSODBXUQI-NXEZZACHSA-N 0 1 299.327 -0.469 20 5 CBBDMN Cn1cncc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292583 799290274 /nfs/dbraw/zinc/29/02/74/799290274.db2.gz PMJDNTCOPIAJKM-GHMZBOCLSA-N 0 1 279.300 -0.614 20 5 CBBDMN CCc1nnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001030292771 799290374 /nfs/dbraw/zinc/29/03/74/799290374.db2.gz UZIGFWHEGRTZGE-RKDXNWHRSA-N 0 1 295.299 -0.402 20 5 CBBDMN CCn1nncc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292703 799290658 /nfs/dbraw/zinc/29/06/58/799290658.db2.gz SVELXLROSRWPQZ-GHMZBOCLSA-N 0 1 294.315 -0.736 20 5 CBBDMN Cn1ccnc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030291635 799290895 /nfs/dbraw/zinc/29/08/95/799290895.db2.gz DGDVUWPBOKUHGK-NXEZZACHSA-N 0 1 279.300 -0.614 20 5 CBBDMN CCn1ccnc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030291809 799290970 /nfs/dbraw/zinc/29/09/70/799290970.db2.gz KRUIXDDXTYZZEG-GHMZBOCLSA-N 0 1 293.327 -0.131 20 5 CBBDMN O=C(NCC1CN(Cc2csnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662051 799530665 /nfs/dbraw/zinc/53/06/65/799530665.db2.gz RTUGKJJAIODSBQ-NXEZZACHSA-N 0 1 297.340 -0.249 20 5 CBBDMN O=C(NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC001041100004 801363135 /nfs/dbraw/zinc/36/31/35/801363135.db2.gz FUBZRSKLUMGSNX-NXEZZACHSA-N 0 1 297.311 -0.859 20 5 CBBDMN C/C=C(/C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042430640 801464886 /nfs/dbraw/zinc/46/48/86/801464886.db2.gz CLVIYTIFUSKOLV-HJBJALMNSA-N 0 1 297.311 -0.693 20 5 CBBDMN Cc1nnc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042705493 801511042 /nfs/dbraw/zinc/51/10/42/801511042.db2.gz UHQKFPLLDUOYTI-NXEZZACHSA-N 0 1 295.299 -0.314 20 5 CBBDMN CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001046389917 801756679 /nfs/dbraw/zinc/75/66/79/801756679.db2.gz HHKGOXVJGCMTEU-RKDXNWHRSA-N 0 1 299.327 -0.613 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CN(CCF)C2)C1 ZINC001053253414 802245337 /nfs/dbraw/zinc/24/53/37/802245337.db2.gz JGLPYIZHBHMVEK-NXEZZACHSA-N 0 1 287.291 -0.466 20 5 CBBDMN CC(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057000323 802482589 /nfs/dbraw/zinc/48/25/89/802482589.db2.gz PNPKPCCUYHLYTD-NXEZZACHSA-N 0 1 287.316 -0.755 20 5 CBBDMN O=C(CC1CC1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543548 802514445 /nfs/dbraw/zinc/51/44/45/802514445.db2.gz NSHWXHZDKBCQEI-GHMZBOCLSA-N 0 1 299.327 -0.611 20 5 CBBDMN O=C(NC[C@@H](CO)[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001322483763 803901975 /nfs/dbraw/zinc/90/19/75/803901975.db2.gz HCBZSKVQTRLASQ-YUMQZZPRSA-N 0 1 284.272 -0.307 20 5 CBBDMN CNC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC001325151930 804250059 /nfs/dbraw/zinc/25/00/59/804250059.db2.gz ZAQKTXJQKXGIRP-SSDOTTSWSA-N 0 1 297.271 -0.787 20 5 CBBDMN COCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989064 805030132 /nfs/dbraw/zinc/03/01/32/805030132.db2.gz MSUMNQPMQCGAAN-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN Cc1ncc([N+](=O)[O-])c([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155573148 815295843 /nfs/dbraw/zinc/29/58/43/815295843.db2.gz YPDGXSXNIDAVCI-KCJUWKMLSA-N 0 1 278.272 -0.317 20 5 CBBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(C)ncc(CN)c1=N ZINC001156830649 815384161 /nfs/dbraw/zinc/38/41/61/815384161.db2.gz QVNUEBCNZXCWLL-UHFFFAOYSA-N 0 1 290.283 -0.031 20 5 CBBDMN O=C(NCCNc1ncccc1[N+](=O)[O-])c1ncn[nH]1 ZINC001093793162 810683080 /nfs/dbraw/zinc/68/30/80/810683080.db2.gz DKKRDHHZGFBHDD-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN O=C(NCCNc1ncccc1[N+](=O)[O-])c1nc[nH]n1 ZINC001093793162 810683087 /nfs/dbraw/zinc/68/30/87/810683087.db2.gz DKKRDHHZGFBHDD-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN NCc1nnnn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158075078 815501474 /nfs/dbraw/zinc/50/14/74/815501474.db2.gz VWTUPOVFAYKXDQ-UHFFFAOYSA-N 0 1 256.613 -0.527 20 5 CBBDMN NCc1nnnn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158075010 815501369 /nfs/dbraw/zinc/50/13/69/815501369.db2.gz OXZNGMMYLFOCCP-UHFFFAOYSA-N 0 1 272.228 -0.028 20 5 CBBDMN COc1cnc(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001158075148 815501413 /nfs/dbraw/zinc/50/14/13/815501413.db2.gz TXVRQFJXHKRQKS-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN COc1nc(C)c([N+](=O)[O-])c(-n2nnnc2CN)n1 ZINC001158075076 815501949 /nfs/dbraw/zinc/50/19/49/815501949.db2.gz RQAGRQWDQLBQKT-UHFFFAOYSA-N 0 1 266.221 -0.864 20 5 CBBDMN O=C(NCCCN1C(=O)CCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001116412828 812257071 /nfs/dbraw/zinc/25/70/71/812257071.db2.gz LQYBOORMOFDXSH-UHFFFAOYSA-N 0 1 295.255 -0.413 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001116446796 812262783 /nfs/dbraw/zinc/26/27/83/812262783.db2.gz JBNKDLVJWKVFRD-UHFFFAOYSA-N 0 1 279.260 -0.273 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N(C)C ZINC001116628285 812286899 /nfs/dbraw/zinc/28/68/99/812286899.db2.gz JVOOXRPGNVUBHL-RXMQYKEDSA-N 0 1 255.234 -0.476 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1[N+](=O)[O-] ZINC001117727518 812440183 /nfs/dbraw/zinc/44/01/83/812440183.db2.gz SXCWPFCLSNQTLG-JIGDXULJSA-N 0 1 266.257 -0.063 20 5 CBBDMN Nc1cc(NC[C@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159043609 815556292 /nfs/dbraw/zinc/55/62/92/815556292.db2.gz FGQGARQXEGGNQC-ZETCQYMHSA-N 0 1 253.262 -0.028 20 5 CBBDMN O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2COCCN2)c1 ZINC001159035403 815556500 /nfs/dbraw/zinc/55/65/00/815556500.db2.gz GMZYYUICWSNHDG-MRVPVSSYSA-N 0 1 254.246 -0.372 20 5 CBBDMN C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001120803602 813020009 /nfs/dbraw/zinc/02/00/09/813020009.db2.gz YBHXCYBSNMPMKM-YSSBGUOXSA-N 0 1 288.325 -0.455 20 5 CBBDMN O=C(NCCNCc1nnc(C2CC2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC001126943055 813697171 /nfs/dbraw/zinc/69/71/71/813697171.db2.gz IQYSFSCUOOACIL-RKDXNWHRSA-N 0 1 295.299 -0.182 20 5 CBBDMN CCCc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001126942751 813697385 /nfs/dbraw/zinc/69/73/85/813697385.db2.gz GPDBZMRSZDYARN-RKDXNWHRSA-N 0 1 297.315 -0.107 20 5 CBBDMN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC001131169132 814010620 /nfs/dbraw/zinc/01/06/20/814010620.db2.gz AZDJPIYAJSKWFT-UHFFFAOYSA-N 0 1 252.194 -0.882 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001141318897 814652217 /nfs/dbraw/zinc/65/22/17/814652217.db2.gz JPGPRAXDBJUIAU-AXTSPUMRSA-N 0 1 257.265 -0.094 20 5 CBBDMN C[S@](=O)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001147484529 814895813 /nfs/dbraw/zinc/89/58/13/814895813.db2.gz OGKRQWSBFUMYHG-HQVAUKCESA-N 0 1 289.357 -0.826 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC001161588432 815773300 /nfs/dbraw/zinc/77/33/00/815773300.db2.gz VGOYAMVDMAZCIS-HTQZYQBOSA-N 0 1 284.272 -0.152 20 5 CBBDMN O=C(NC[C@H]1CNC(=O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001161854969 815791324 /nfs/dbraw/zinc/79/13/24/815791324.db2.gz FMVKHHBFEXGKON-RXMQYKEDSA-N 0 1 253.218 -0.816 20 5 CBBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001285900170 816356847 /nfs/dbraw/zinc/35/68/47/816356847.db2.gz NBVSFLLPNCMSMU-RKDXNWHRSA-N 0 1 267.285 -0.173 20 5 CBBDMN CC(=O)N(C)CCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001290543646 816434325 /nfs/dbraw/zinc/43/43/25/816434325.db2.gz AIJFGSUYGKYKGJ-GHMZBOCLSA-N 0 1 287.316 -0.395 20 5 CBBDMN Cc1ccnn1CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292723651 816481911 /nfs/dbraw/zinc/48/19/11/816481911.db2.gz WZPMLBFIMKVSEE-NXEZZACHSA-N 0 1 295.299 -0.911 20 5 CBBDMN O=C(Cc1ccc[nH]1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293307108 816515097 /nfs/dbraw/zinc/51/50/97/816515097.db2.gz LHLNQHSNAMPVFF-GHMZBOCLSA-N 0 1 294.311 -0.155 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cnc[nH]1 ZINC001293752781 816525310 /nfs/dbraw/zinc/52/53/10/816525310.db2.gz OHAQLOWUYZYKIL-UHFFFAOYSA-N 0 1 251.206 -0.774 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1c[nH]nn1 ZINC001294476286 816540822 /nfs/dbraw/zinc/54/08/22/816540822.db2.gz WBYOMURBVXGBKF-UHFFFAOYSA-N 0 1 265.233 -0.466 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncs1 ZINC001296065533 816598406 /nfs/dbraw/zinc/59/84/06/816598406.db2.gz UXOCBYNGSPWPCE-HTQZYQBOSA-N 0 1 298.324 -0.004 20 5 CBBDMN O=C(N[C@H]1Cc2cccnc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001303211487 816762882 /nfs/dbraw/zinc/76/28/82/816762882.db2.gz DEJIVSQMQDNUBI-HRDYMLBCSA-N 0 1 276.252 -0.274 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCn3cnnc3C2)c1[N+](=O)[O-] ZINC001318326913 817098409 /nfs/dbraw/zinc/09/84/09/817098409.db2.gz KRNCXYNTCZKWIM-UHFFFAOYSA-N 0 1 277.244 -0.126 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCCN(C(N)=O)CC2)c1[N+](=O)[O-] ZINC001318530928 817119773 /nfs/dbraw/zinc/11/97/73/817119773.db2.gz ISFZJQGDTGETPM-UHFFFAOYSA-N 0 1 296.287 -0.147 20 5 CBBDMN COC[C@@H](O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319638322 817229230 /nfs/dbraw/zinc/22/92/30/817229230.db2.gz XBTVQLSODBIYKY-LURJTMIESA-N 0 1 258.234 -0.555 20 5 CBBDMN COC[C@@H](CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319716497 817235419 /nfs/dbraw/zinc/23/54/19/817235419.db2.gz GWXWKVZLIKTFTR-ZCFIWIBFSA-N 0 1 258.234 -0.555 20 5 CBBDMN CN1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001320009177 817267498 /nfs/dbraw/zinc/26/74/98/817267498.db2.gz HEECYEVVTDFMRP-JTQLQIEISA-N 0 1 294.311 -0.033 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001320977546 817421248 /nfs/dbraw/zinc/42/12/48/817421248.db2.gz VQXFYDZGULPJKM-UHFFFAOYSA-N 0 1 292.255 -0.467 20 5 CBBDMN O=C(NC/C=C\CNCc1ncccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001321051862 817435649 /nfs/dbraw/zinc/43/56/49/817435649.db2.gz NVDSRMSZIZXPAL-JLVKAVFRSA-N 0 1 291.311 -0.096 20 5 CBBDMN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001321104433 817442032 /nfs/dbraw/zinc/44/20/32/817442032.db2.gz FCXOCQCHKZFUEG-SECBINFHSA-N 0 1 296.331 -0.316 20 5 CBBDMN COc1cc(N2CCNC(=O)C23CNC3)ncc1[N+](=O)[O-] ZINC001165298794 819952505 /nfs/dbraw/zinc/95/25/05/819952505.db2.gz WTEQNYRSCOJUER-UHFFFAOYSA-N 0 1 293.283 -0.723 20 5 CBBDMN O=C1NCCN(c2cc(Cl)ncc2[N+](=O)[O-])C12CNC2 ZINC001165298088 819952689 /nfs/dbraw/zinc/95/26/89/819952689.db2.gz REYZJNUFOYZURH-UHFFFAOYSA-N 0 1 297.702 -0.079 20 5 CBBDMN O=C1NCCN(c2cccc([N+](=O)[O-])n2)C12CNC2 ZINC001165298124 819953400 /nfs/dbraw/zinc/95/34/00/819953400.db2.gz SNIBCZCTUCCWLD-UHFFFAOYSA-N 0 1 263.257 -0.732 20 5 CBBDMN O=C1NCCN(c2nc(Cl)ncc2[N+](=O)[O-])C12CNC2 ZINC001165298387 819953508 /nfs/dbraw/zinc/95/35/08/819953508.db2.gz TZOGOGMNNCIYOK-UHFFFAOYSA-N 0 1 298.690 -0.684 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001165437614 819961136 /nfs/dbraw/zinc/96/11/36/819961136.db2.gz AHCOACRXRVXREM-QMMMGPOBSA-N 0 1 281.272 -0.477 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1ncc([N+](=O)[O-])cc1N ZINC001165443383 819964742 /nfs/dbraw/zinc/96/47/42/819964742.db2.gz VIUZABNCFKBJMS-SECBINFHSA-N 0 1 281.272 -0.477 20 5 CBBDMN Cc1c[n+]([O-])c(-n2c(C)ncc(CN)c2=N)cc1[N+](=O)[O-] ZINC001167672672 820110688 /nfs/dbraw/zinc/11/06/88/820110688.db2.gz SGAIPMMPGXWNBE-UHFFFAOYSA-N 0 1 290.283 -0.031 20 5 CBBDMN NCc1nnnn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001168920053 820191578 /nfs/dbraw/zinc/19/15/78/820191578.db2.gz JWJWPMLVHHGHDT-UHFFFAOYSA-N 0 1 260.217 -0.323 20 5 CBBDMN COC(=O)c1ccc([N+](=O)[O-])c(-n2nnnc2CN)c1 ZINC001168922814 820192679 /nfs/dbraw/zinc/19/26/79/820192679.db2.gz BDSOAKGTOMJZBR-UHFFFAOYSA-N 0 1 278.228 -0.184 20 5 CBBDMN NC(=O)[C@@H](N)Cc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169008010 820200904 /nfs/dbraw/zinc/20/09/04/820200904.db2.gz QOQNUVUAJJZKHK-MIMYLULJSA-N 0 1 281.316 -0.144 20 5 CBBDMN O=C1COC[C@@H]2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035520 820201628 /nfs/dbraw/zinc/20/16/28/820201628.db2.gz BRRJJNIHAYTJDF-TUAOUCFPSA-N 0 1 283.328 -0.025 20 5 CBBDMN O=C1COC[C@@H]2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035521 820201979 /nfs/dbraw/zinc/20/19/79/820201979.db2.gz BRRJJNIHAYTJDF-UTUOFQBUSA-N 0 1 283.328 -0.025 20 5 CBBDMN NC(=O)CN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040052 820201994 /nfs/dbraw/zinc/20/19/94/820201994.db2.gz XGMDEPUWLZVMHB-QWRGUYRKSA-N 0 1 270.333 -0.465 20 5 CBBDMN CN1CCN(C2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036916 820202205 /nfs/dbraw/zinc/20/22/05/820202205.db2.gz QUMGFOFJHIGWBC-VXGBXAGGSA-N 0 1 296.371 -0.110 20 5 CBBDMN Cc1c[n+]([O-])c(NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170035787 820274560 /nfs/dbraw/zinc/27/45/60/820274560.db2.gz PKFJTLKKHKQLIX-SECBINFHSA-N 0 1 268.273 -0.063 20 5 CBBDMN COc1ccc(C[C@@H](C)N[C@@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306607 820287042 /nfs/dbraw/zinc/28/70/42/820287042.db2.gz YMYKNZNNLKLXMF-KCJUWKMLSA-N 0 1 297.311 -0.030 20 5 CBBDMN COCC(C)(C)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283004346 828488330 /nfs/dbraw/zinc/48/83/30/828488330.db2.gz DKEVIWMEFOSTFU-RKDXNWHRSA-N 0 1 287.316 -0.443 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1=COCCO1 ZINC001283175167 828503156 /nfs/dbraw/zinc/50/31/56/828503156.db2.gz PJAYLJQSPZRPFS-RKDXNWHRSA-N 0 1 299.283 -0.838 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001284522131 828608417 /nfs/dbraw/zinc/60/84/17/828608417.db2.gz QYGHAVNMYSSBDV-RKDXNWHRSA-N 0 1 281.272 -0.737 20 5 CBBDMN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC001284521820 828608425 /nfs/dbraw/zinc/60/84/25/828608425.db2.gz MGIMBFDYBRATAY-PSASIEDQSA-N 0 1 295.299 -0.428 20 5 CBBDMN COC(=O)[C@H](CCO)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001218218811 824565712 /nfs/dbraw/zinc/56/57/12/824565712.db2.gz FSYMUVRVIGULTH-LURJTMIESA-N 0 1 287.228 -0.298 20 5 CBBDMN C[C@H](C[N+](C)(C)C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234472812 825468740 /nfs/dbraw/zinc/46/87/40/825468740.db2.gz ZPHNHCZTPSCSOU-SSDOTTSWSA-O 0 1 255.298 -0.245 20 5 CBBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2[nH]nnc2C1 ZINC001255223933 825976720 /nfs/dbraw/zinc/97/67/20/825976720.db2.gz JJBHQDGSYFKMBR-UHFFFAOYSA-N 0 1 291.271 -0.116 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001261818838 826586866 /nfs/dbraw/zinc/58/68/66/826586866.db2.gz JDFYHPIHNGKGGK-DTWKUNHWSA-N 0 1 295.299 -0.401 20 5 CBBDMN CO[C@]1(CNCC[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001262492055 826696092 /nfs/dbraw/zinc/69/60/92/826696092.db2.gz XPALHSCVPQZODB-QMMMGPOBSA-N 0 1 252.292 -0.944 20 5 CBBDMN Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001265356869 826884472 /nfs/dbraw/zinc/88/44/72/826884472.db2.gz WRHJDXUHCXULEB-FBIMIBRVSA-N 0 1 279.300 -0.220 20 5 CBBDMN Cc1nonc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001274014779 827953178 /nfs/dbraw/zinc/95/31/78/827953178.db2.gz CJXYTHRDZZQBAR-NWRGJWMSSA-N 0 1 295.299 -0.195 20 5 CBBDMN CC(C)S(=O)(=O)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001328771516 885808421 /nfs/dbraw/zinc/80/84/21/885808421.db2.gz LOHBUNJPRMKCHM-RNFRBKRXSA-N 0 1 250.276 -0.152 20 5 CBBDMN C/C=C(/C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976749 884624845 /nfs/dbraw/zinc/62/48/45/884624845.db2.gz RZMBUZFQYGFXTI-HJBJALMNSA-N 0 1 297.311 -0.693 20 5 CBBDMN CCn1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nn1 ZINC001328403305 885670957 /nfs/dbraw/zinc/67/09/57/885670957.db2.gz KSAQXRGLLGLZRV-UHFFFAOYSA-N 0 1 265.233 -0.141 20 5 CBBDMN NC(=O)c1ccnc(N2CC[N@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001328719589 885789735 /nfs/dbraw/zinc/78/97/35/885789735.db2.gz WVQZFTFUESURRC-QMMMGPOBSA-N 0 1 277.284 -0.017 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)OCc1nnc[nH]1 ZINC001329426064 886060431 /nfs/dbraw/zinc/06/04/31/886060431.db2.gz CDHUECVVGFUEKG-UHFFFAOYSA-N 0 1 252.190 -0.197 20 5 CBBDMN O=C(NC[C@H](O)[C@@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001331806383 886991310 /nfs/dbraw/zinc/99/13/10/886991310.db2.gz GTTPCIFKHYKPSQ-YUMQZZPRSA-N 0 1 270.245 -0.412 20 5 CBBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)F ZINC001335668402 888599978 /nfs/dbraw/zinc/59/99/78/888599978.db2.gz FWRFJGUCDAMZJI-WCTZXXKLSA-N 0 1 291.254 -0.072 20 5 CBBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1nncn1C ZINC001338859701 889206993 /nfs/dbraw/zinc/20/69/93/889206993.db2.gz BIPSIQLCXNMALP-ZCFIWIBFSA-N 0 1 279.260 -0.020 20 5 CBBDMN C[C@@H](CN(C)C(=O)c1c([N+](=O)[O-])cnn1C)c1nn[nH]n1 ZINC001342900809 889842777 /nfs/dbraw/zinc/84/27/77/889842777.db2.gz ZZBRARMHHDKOEU-LURJTMIESA-N 0 1 294.275 -0.283 20 5 CBBDMN Cc1[nH]ncc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001343049206 889861753 /nfs/dbraw/zinc/86/17/53/889861753.db2.gz VVRDFEWUJVTKRG-UHFFFAOYSA-N 0 1 265.233 -0.466 20 5 CBBDMN Cn1cnnc1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001344026991 889991582 /nfs/dbraw/zinc/99/15/82/889991582.db2.gz BEBVURLSQTZHAD-UHFFFAOYSA-N 0 1 279.260 -0.191 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001344120812 890006115 /nfs/dbraw/zinc/00/61/15/890006115.db2.gz POAUQHOJJZMAOR-LBPRGKRZSA-N 0 1 293.283 -0.021 20 5 CBBDMN O=C(NCC[C@]1(O)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001346295304 890261550 /nfs/dbraw/zinc/26/15/50/890261550.db2.gz PMZSVUJXQTYHTC-JTQLQIEISA-N 0 1 270.245 -0.411 20 5 CBBDMN O=CN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001347758152 890508633 /nfs/dbraw/zinc/50/86/33/890508633.db2.gz ALIMCOYVRZBQSK-LBPRGKRZSA-N 0 1 297.315 -0.684 20 5 CBBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC001348350833 890605683 /nfs/dbraw/zinc/60/56/83/890605683.db2.gz WKJLWJLEQVNYCG-IWSPIJDZSA-N 0 1 272.257 -0.558 20 5 CBBDMN Cc1ncc(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001348934496 890729498 /nfs/dbraw/zinc/72/94/98/890729498.db2.gz KPZTVHCFGKZMPG-NXEZZACHSA-N 0 1 296.283 -0.577 20 5 CBBDMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001350847556 891057190 /nfs/dbraw/zinc/05/71/90/891057190.db2.gz PUOGBBVGWHOIDP-VHSXEESVSA-N 0 1 286.288 -0.053 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCC(O)(CO)CC2)c1[N+](=O)[O-] ZINC001351086131 891104003 /nfs/dbraw/zinc/10/40/03/891104003.db2.gz SSKXHZVFRVPDHL-UHFFFAOYSA-N 0 1 298.299 -0.160 20 5 CBBDMN O=C(N[C@H]1Cc2cncn2C1)c1n[nH]cc1[N+](=O)[O-] ZINC001351287167 891127491 /nfs/dbraw/zinc/12/74/91/891127491.db2.gz FLWJHZJKZXVXHT-LURJTMIESA-N 0 1 262.229 -0.131 20 5 CBBDMN O=C(N[C@H]1Cc2c[nH+]cn2C1)c1[n-]ncc1[N+](=O)[O-] ZINC001351287167 891127499 /nfs/dbraw/zinc/12/74/99/891127499.db2.gz FLWJHZJKZXVXHT-LURJTMIESA-N 0 1 262.229 -0.131 20 5 CBBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCNC[C@@H]1CO ZINC001354593874 891596075 /nfs/dbraw/zinc/59/60/75/891596075.db2.gz OXPMVBKHVGEVQH-LLVKDONJSA-N 0 1 279.296 -0.070 20 5 CBBDMN CN(CCNC(=O)c1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355443857 891679527 /nfs/dbraw/zinc/67/95/27/891679527.db2.gz FWKHSLDWYUBYQV-MWLCHTKSSA-N 0 1 292.295 -0.065 20 5 CBBDMN CC(=O)N(C)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001356698352 891790222 /nfs/dbraw/zinc/79/02/22/891790222.db2.gz PCPRDBZNXIEQQE-VXGBXAGGSA-N 0 1 298.343 -0.726 20 5 CBBDMN CC(C)(F)C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356797456 891812223 /nfs/dbraw/zinc/81/22/23/891812223.db2.gz XRNVCSLLXFPIKL-RKDXNWHRSA-N 0 1 287.291 -0.026 20 5 CBBDMN NC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001361282811 892066730 /nfs/dbraw/zinc/06/67/30/892066730.db2.gz UUVTYKMDCANDPZ-RNFRBKRXSA-N 0 1 253.214 -0.340 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCCc1nc[nH]n1 ZINC001450095949 913643643 /nfs/dbraw/zinc/64/36/43/913643643.db2.gz UJBJJEPQYSQFFL-UHFFFAOYSA-N 0 1 265.233 -0.581 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001451184192 913777707 /nfs/dbraw/zinc/77/77/07/913777707.db2.gz LYSJYSDCOZFMIO-SFYZADRCSA-N 0 1 298.299 -0.134 20 5 CBBDMN O=C(NCc1nnc([C@H]2CCOC2)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001457929648 914604332 /nfs/dbraw/zinc/60/43/32/914604332.db2.gz DYLRQRNIMQGEFW-XLPZGREQSA-N 0 1 281.272 -0.410 20 5 CBBDMN COCCO[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001459148837 914706451 /nfs/dbraw/zinc/70/64/51/914706451.db2.gz MXRDCECSKCHCNY-LMLFDSFASA-N 0 1 288.300 -0.412 20 5 CBBDMN COC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001435849636 910407285 /nfs/dbraw/zinc/40/72/85/910407285.db2.gz HGHDQLNDGMGMRB-RKDXNWHRSA-N 0 1 286.284 -0.262 20 5 CBBDMN O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001468255491 915281691 /nfs/dbraw/zinc/28/16/91/915281691.db2.gz CZHPHYNVHCQYIS-SZEHBUNVSA-N 0 1 293.283 -0.138 20 5 CBBDMN Cn1cc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001483007462 917373944 /nfs/dbraw/zinc/37/39/44/917373944.db2.gz LOHUFNFSOQJWIG-LVUHIJSRSA-N 0 1 294.315 -0.758 20 5 CBBDMN Cn1cc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001483007463 917374752 /nfs/dbraw/zinc/37/47/52/917374752.db2.gz LOHUFNFSOQJWIG-WUNPDAOYSA-N 0 1 294.315 -0.758 20 5 CBBDMN COCCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001492026462 919312758 /nfs/dbraw/zinc/31/27/58/919312758.db2.gz OQSXPTHBWKQRFZ-GHMZBOCLSA-N 0 1 299.327 -0.251 20 5 CBBDMN O=C(NC/C=C/CNCc1cnsn1)[C@@H]1CC1[N+](=O)[O-] ZINC001497585139 920344542 /nfs/dbraw/zinc/34/45/42/920344542.db2.gz SZFTXZIJACIIHY-UFLMBTITSA-N 0 1 297.340 -0.035 20 5 CBBDMN COCCCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001498109944 920482935 /nfs/dbraw/zinc/48/29/35/920482935.db2.gz NZBCZQSJKOUWLN-NXEZZACHSA-N 0 1 285.300 -0.595 20 5 CBBDMN CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001518149973 922262762 /nfs/dbraw/zinc/26/27/62/922262762.db2.gz UNCOIMSEKMDWNC-DJLDLDEBSA-N 0 1 291.329 -0.951 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnco1 ZINC001522625921 922493878 /nfs/dbraw/zinc/49/38/78/922493878.db2.gz DVPMENKCXBXPCI-RNFRBKRXSA-N 0 1 268.229 -0.814 20 5 CBBDMN Cc1cc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001522834211 922530868 /nfs/dbraw/zinc/53/08/68/922530868.db2.gz SVIRMLOOKNLRTL-RKDXNWHRSA-N 0 1 296.283 -0.116 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccon1 ZINC001522843148 922531696 /nfs/dbraw/zinc/53/16/96/922531696.db2.gz QHSYQBBLHDNUQN-VXNVDRBHSA-N 0 1 282.256 -0.424 20 5 CBBDMN Cn1cnc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001522875452 922541336 /nfs/dbraw/zinc/54/13/36/922541336.db2.gz CEZFLJNPZNHNBN-PSASIEDQSA-N 0 1 295.299 -0.679 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001525963828 922683827 /nfs/dbraw/zinc/68/38/27/922683827.db2.gz LFXPDKFKRGVWHC-DJLDLDEBSA-N 0 1 276.314 -0.313 20 5 CBBDMN O=C(Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1)NC1CC1 ZINC001527770837 922769947 /nfs/dbraw/zinc/76/99/47/922769947.db2.gz ALJIMMOIXUPKBP-NXEZZACHSA-N 0 1 293.283 -0.235 20 5 CBBDMN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529306223 922886656 /nfs/dbraw/zinc/88/66/56/922886656.db2.gz UDAKVYZULATCTI-FNCVBFRFSA-N 0 1 278.330 -0.068 20 5 CBBDMN O=C(NC[C@@H]1CCCCS1(=O)=O)[C@@H]1CC1[N+](=O)[O-] ZINC001536637975 923217599 /nfs/dbraw/zinc/21/75/99/923217599.db2.gz UQLSHOBDTYWDNH-DJLDLDEBSA-N 0 1 276.314 -0.265 20 5 CBBDMN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC001537226229 923232365 /nfs/dbraw/zinc/23/23/65/923232365.db2.gz SQUREVLURYCYOC-JLIMGVALSA-N 0 1 285.300 -0.596 20 5 CBBDMN COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537508937 923241020 /nfs/dbraw/zinc/24/10/20/923241020.db2.gz GLTBAAOBVRAJRO-LNLATYFQSA-N 0 1 296.283 -0.404 20 5 CBBDMN CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1nn[nH]n1 ZINC001539041177 923251745 /nfs/dbraw/zinc/25/17/45/923251745.db2.gz OTISTYXXKFQRQZ-UHFFFAOYSA-N 0 1 251.206 -0.277 20 5 CBBDMN Cc1[nH]nc(C(=O)N2NC(=O)C[C@H]2C)c1[N+](=O)[O-] ZINC001540632097 923259464 /nfs/dbraw/zinc/25/94/64/923259464.db2.gz BCPRLOLFVOPXJE-SCSAIBSYSA-N 0 1 253.218 -0.108 20 5 CBBDMN Cn1cnnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001540690313 923263163 /nfs/dbraw/zinc/26/31/63/923263163.db2.gz TVAUKBUACVBEIY-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001556619410 924067813 /nfs/dbraw/zinc/06/78/13/924067813.db2.gz NAGMNVHFTKLDDT-KYXWUPHJSA-N 0 1 288.325 -0.170 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](O)c1cnc[nH]1 ZINC001558343122 924167710 /nfs/dbraw/zinc/16/77/10/924167710.db2.gz WKDGVCAPCOMAJQ-MRVPVSSYSA-N 0 1 280.244 -0.636 20 5 CBBDMN C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCNC1=O ZINC001558545098 924180538 /nfs/dbraw/zinc/18/05/38/924180538.db2.gz BNUSDHFDKVSIEM-VIFPVBQESA-N 0 1 253.218 -0.674 20 5 CBBDMN C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCNC1=O ZINC001558545097 924180922 /nfs/dbraw/zinc/18/09/22/924180922.db2.gz BNUSDHFDKVSIEM-SECBINFHSA-N 0 1 253.218 -0.674 20 5 CBBDMN NCC(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000124516037 187141542 /nfs/dbraw/zinc/14/15/42/187141542.db2.gz OTWLELAHFGBXLI-UHFFFAOYSA-N 0 1 278.268 -0.441 20 5 CBBDMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000377828372 529745639 /nfs/dbraw/zinc/74/56/39/529745639.db2.gz HDRCLOJFDZIORQ-VGMNWLOBSA-N 0 1 295.299 -0.068 20 5 CBBDMN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000377828372 529745640 /nfs/dbraw/zinc/74/56/40/529745640.db2.gz HDRCLOJFDZIORQ-VGMNWLOBSA-N 0 1 295.299 -0.068 20 5 CBBDMN CCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000377828370 529745786 /nfs/dbraw/zinc/74/57/86/529745786.db2.gz HDRCLOJFDZIORQ-CIUDSAMLSA-N 0 1 295.299 -0.068 20 5 CBBDMN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000377828370 529745787 /nfs/dbraw/zinc/74/57/87/529745787.db2.gz HDRCLOJFDZIORQ-CIUDSAMLSA-N 0 1 295.299 -0.068 20 5 CBBDMN O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000044477677 351444684 /nfs/dbraw/zinc/44/46/84/351444684.db2.gz BWBAGQZLXMQLQF-GUBZILKMSA-N 0 1 267.285 -0.079 20 5 CBBDMN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC1[N+](=O)[O-] ZINC000047296158 351459407 /nfs/dbraw/zinc/45/94/07/351459407.db2.gz KSDXDMFWTWWSAT-JGVFFNPUSA-N 0 1 296.283 -0.063 20 5 CBBDMN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000040507800 351415722 /nfs/dbraw/zinc/41/57/22/351415722.db2.gz GDADBLHYLSWXOB-UHFFFAOYSA-N 0 1 292.295 -0.244 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000074396230 351661337 /nfs/dbraw/zinc/66/13/37/351661337.db2.gz PONZETXLLYSJKG-QWRGUYRKSA-N 0 1 279.300 -0.266 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1CN1CCOCC1 ZINC000080943204 351701601 /nfs/dbraw/zinc/70/16/01/351701601.db2.gz DXWLFOXXAMDUBC-UTUOFQBUSA-N 0 1 283.328 -0.025 20 5 CBBDMN NC(=O)Cn1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000076268610 351676533 /nfs/dbraw/zinc/67/65/33/351676533.db2.gz YTHGLAWCXAOPJC-UHFFFAOYSA-N 0 1 278.232 -0.608 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(N(C)C)C1 ZINC000134975079 351910287 /nfs/dbraw/zinc/91/02/87/351910287.db2.gz RGSGZVLDOHDYID-UHFFFAOYSA-N 0 1 267.289 -0.128 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000339892526 215384760 /nfs/dbraw/zinc/38/47/60/215384760.db2.gz PLJRNBJBRUPBDF-LURJTMIESA-N 0 1 267.245 -0.284 20 5 CBBDMN NC(=O)C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000183845626 352110255 /nfs/dbraw/zinc/11/02/55/352110255.db2.gz VRJGEKQYLJBPHL-SECBINFHSA-N 0 1 295.295 -0.058 20 5 CBBDMN C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000228790038 352265279 /nfs/dbraw/zinc/26/52/79/352265279.db2.gz KJWFJWCMWFGLJX-LBPRGKRZSA-N 0 1 298.299 -0.262 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNCC1 ZINC000237575066 352307058 /nfs/dbraw/zinc/30/70/58/352307058.db2.gz ODCOESJEWWPFSL-UHFFFAOYSA-N 0 1 253.262 -0.468 20 5 CBBDMN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272699041 352523272 /nfs/dbraw/zinc/52/32/72/352523272.db2.gz STLJCNDQNNLTMJ-SECBINFHSA-N 0 1 293.235 -0.165 20 5 CBBDMN COC(=O)CCCONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000290806654 352679581 /nfs/dbraw/zinc/67/95/81/352679581.db2.gz YPZPYOHAIISBBI-UHFFFAOYSA-N 0 1 272.217 -0.068 20 5 CBBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000153727225 188100068 /nfs/dbraw/zinc/10/00/68/188100068.db2.gz SMQHZYZKKMIKFH-SNVBAGLBSA-N 0 1 296.331 -0.015 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000340718449 353183578 /nfs/dbraw/zinc/18/35/78/353183578.db2.gz VQDPYUNCIFOHHR-SSDOTTSWSA-N 0 1 281.272 -0.159 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000343389563 353270411 /nfs/dbraw/zinc/27/04/11/353270411.db2.gz VGLOBVRCQNBWAZ-SSDOTTSWSA-N 0 1 297.271 -0.705 20 5 CBBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000343485334 353275151 /nfs/dbraw/zinc/27/51/51/353275151.db2.gz YVALGZNIWJXXNB-ZCFIWIBFSA-N 0 1 255.234 -0.442 20 5 CBBDMN CCCNC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343227887 353260900 /nfs/dbraw/zinc/26/09/00/353260900.db2.gz SMTSLFTZEDMECJ-UHFFFAOYSA-N 0 1 269.261 -0.036 20 5 CBBDMN CCNC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343865547 353295662 /nfs/dbraw/zinc/29/56/62/353295662.db2.gz NABCMLKZEAICKS-SSDOTTSWSA-N 0 1 296.287 -0.149 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000353217284 353528547 /nfs/dbraw/zinc/52/85/47/353528547.db2.gz LSOMSFULBUVWNR-SSDOTTSWSA-N 0 1 291.333 -0.173 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000354061267 353540787 /nfs/dbraw/zinc/54/07/87/353540787.db2.gz NCEJJZMGUZLFLO-SSDOTTSWSA-N 0 1 281.272 -0.036 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(n3ccnn3)C2)c1[N+](=O)[O-] ZINC000354690611 353578257 /nfs/dbraw/zinc/57/82/57/353578257.db2.gz GVFWRDZKPXGMLT-UHFFFAOYSA-N 0 1 277.244 -0.085 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@H](COC)C(N)=O)c1[N+](=O)[O-] ZINC000354558869 353567786 /nfs/dbraw/zinc/56/77/86/353567786.db2.gz YXXWOTYNRPCVQF-SSDOTTSWSA-N 0 1 299.287 -0.547 20 5 CBBDMN CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000371438162 353701871 /nfs/dbraw/zinc/70/18/71/353701871.db2.gz ADBGGZRJQWZJGT-GHMZBOCLSA-N 0 1 298.343 -0.726 20 5 CBBDMN O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371435314 353701882 /nfs/dbraw/zinc/70/18/82/353701882.db2.gz BWBAGQZLXMQLQF-KXUCPTDWSA-N 0 1 267.285 -0.079 20 5 CBBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@H]1CC1[N+](=O)[O-] ZINC000374978261 353751663 /nfs/dbraw/zinc/75/16/63/353751663.db2.gz IEFZRKBWDQLXKO-JLIMGVALSA-N 0 1 267.285 -0.079 20 5 CBBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000374978263 353751942 /nfs/dbraw/zinc/75/19/42/353751942.db2.gz IEFZRKBWDQLXKO-KYXWUPHJSA-N 0 1 267.285 -0.079 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000375338581 353758323 /nfs/dbraw/zinc/75/83/23/353758323.db2.gz YOKBUWHVEKEXST-UYAYMFIHSA-N 0 1 267.285 -0.175 20 5 CBBDMN C[C@@H]1CC(=O)NCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844326 353768172 /nfs/dbraw/zinc/76/81/72/353768172.db2.gz VGJXQIKPKVDCND-MWLCHTKSSA-N 0 1 297.315 -0.637 20 5 CBBDMN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000374235081 353742833 /nfs/dbraw/zinc/74/28/33/353742833.db2.gz ZYLMLIWCQVDDMP-PRJMDXOYSA-N 0 1 251.246 -0.626 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2CCCC[C@H]2C1 ZINC000408024334 353828026 /nfs/dbraw/zinc/82/80/26/353828026.db2.gz ZNJUEUZCCFNAQT-JTQLQIEISA-N 0 1 294.315 -0.117 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)N1C ZINC000408170980 353863454 /nfs/dbraw/zinc/86/34/54/353863454.db2.gz ZFEMKOOPSFDMHT-DTORHVGOSA-N 0 1 282.304 -0.263 20 5 CBBDMN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1 ZINC000446447354 354287662 /nfs/dbraw/zinc/28/76/62/354287662.db2.gz VWKIWXDUOPALAB-SSDOTTSWSA-N 0 1 253.262 -0.238 20 5 CBBDMN CCOC1CC(O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000444628270 354275774 /nfs/dbraw/zinc/27/57/74/354275774.db2.gz HSYLMENOGYCQSJ-UHFFFAOYSA-N 0 1 284.272 -0.022 20 5 CBBDMN O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000565891022 354747472 /nfs/dbraw/zinc/74/74/72/354747472.db2.gz GLFGGWIEOPSWSX-MRVPVSSYSA-N 0 1 282.256 -0.586 20 5 CBBDMN COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-] ZINC000568068130 354809176 /nfs/dbraw/zinc/80/91/76/354809176.db2.gz FAFFXLYUKCVHGL-UHFFFAOYSA-N 0 1 272.261 -0.176 20 5 CBBDMN CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1(C)C ZINC000574097514 354928761 /nfs/dbraw/zinc/92/87/61/354928761.db2.gz ADTGIPAXKNADGJ-UHFFFAOYSA-N 0 1 282.304 -0.261 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000578466856 354947092 /nfs/dbraw/zinc/94/70/92/354947092.db2.gz UTZNJPLECJCDRB-UWVGGRQHSA-N 0 1 270.289 -0.534 20 5 CBBDMN O=C(Nc1n[nH]c2ncnn12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590379718 355077233 /nfs/dbraw/zinc/07/72/33/355077233.db2.gz NTTBXAGTBXXAIQ-UHFFFAOYSA-N 0 1 290.199 -0.287 20 5 CBBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000592551677 355162020 /nfs/dbraw/zinc/16/20/20/355162020.db2.gz KPHDGDDZSPDIIQ-VIFPVBQESA-N 0 1 296.283 -0.100 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1[N+](=O)[O-] ZINC000593865028 355223856 /nfs/dbraw/zinc/22/38/56/355223856.db2.gz BEFGRPWNCRQRSY-DDPPWCJCSA-N 0 1 284.297 -0.028 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594385121 355245554 /nfs/dbraw/zinc/24/55/54/355245554.db2.gz DCYMHGXXXLJLRB-JGVFFNPUSA-N 0 1 281.272 -0.791 20 5 CBBDMN CO[C@@](C)(CO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000594399985 355245880 /nfs/dbraw/zinc/24/58/80/355245880.db2.gz VQLBULBGZVEHKG-SECBINFHSA-N 0 1 258.234 -0.555 20 5 CBBDMN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(N)=O ZINC000594776245 355260771 /nfs/dbraw/zinc/26/07/71/355260771.db2.gz WSQJYGBLZMHDIQ-ZCFIWIBFSA-N 0 1 288.285 -0.468 20 5 CBBDMN CC(C)OC[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595250104 355274733 /nfs/dbraw/zinc/27/47/33/355274733.db2.gz KMKFBWUEHMTYJJ-JTQLQIEISA-N 0 1 285.304 -0.340 20 5 CBBDMN C[N@H+](Cc1n[n-]c(=O)o1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595547009 355294349 /nfs/dbraw/zinc/29/43/49/355294349.db2.gz KZVCOMYKXPMOFB-QMMMGPOBSA-N 0 1 298.259 -0.627 20 5 CBBDMN O=C(NCc1cccc([N+](=O)[O-])c1)C1(O)CNC1 ZINC000595924529 355319310 /nfs/dbraw/zinc/31/93/10/355319310.db2.gz FQEPZCSUNFYUGH-UHFFFAOYSA-N 0 1 251.242 -0.455 20 5 CBBDMN O=C(NC[C@H]1CN2CCN1CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000597627423 355402085 /nfs/dbraw/zinc/40/20/85/355402085.db2.gz ZQONSAZEAWRXJA-VIFPVBQESA-N 0 1 294.315 -0.562 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598163956 355433386 /nfs/dbraw/zinc/43/33/86/355433386.db2.gz RFWVZQSGFQUHRG-UHFFFAOYSA-N 0 1 267.289 -0.189 20 5 CBBDMN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599241208 355473703 /nfs/dbraw/zinc/47/37/03/355473703.db2.gz OCDWQTDNEPYQSN-BQBZGAKWSA-N 0 1 292.317 -0.377 20 5 CBBDMN C[C@@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599240829 355474072 /nfs/dbraw/zinc/47/40/72/355474072.db2.gz KEOVVGZSNVJCDC-LURJTMIESA-N 0 1 278.290 -0.623 20 5 CBBDMN CC[C@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599244902 355474127 /nfs/dbraw/zinc/47/41/27/355474127.db2.gz MVHNPQUFBLPNHI-VIFPVBQESA-N 0 1 292.317 -0.232 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccno2)n1 ZINC000599271212 355475730 /nfs/dbraw/zinc/47/57/30/355475730.db2.gz CNVAXMZYZOYWSW-UHFFFAOYSA-N 0 1 287.257 -0.205 20 5 CBBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 ZINC000599339030 355480736 /nfs/dbraw/zinc/48/07/36/355480736.db2.gz DTZRIILLUSFETR-RNFRBKRXSA-N 0 1 290.301 -0.216 20 5 CBBDMN CCCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600216978 355529895 /nfs/dbraw/zinc/52/98/95/355529895.db2.gz KOCUZCRQUCCMKH-YUMQZZPRSA-N 0 1 284.272 -0.552 20 5 CBBDMN O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600839839 355569028 /nfs/dbraw/zinc/56/90/28/355569028.db2.gz RLCLXVUBFZJQHE-SECBINFHSA-N 0 1 296.283 -0.508 20 5 CBBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600839839 355569032 /nfs/dbraw/zinc/56/90/32/355569032.db2.gz RLCLXVUBFZJQHE-SECBINFHSA-N 0 1 296.283 -0.508 20 5 CBBDMN NS(=O)(=O)c1ccc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000609496587 355770243 /nfs/dbraw/zinc/77/02/43/355770243.db2.gz KHMKLLZMTNJUGN-UHFFFAOYSA-N 0 1 299.272 -0.633 20 5 CBBDMN CCc1n[nH]c(C(=O)NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000610494627 355779522 /nfs/dbraw/zinc/77/95/22/355779522.db2.gz UFTKLIWZMZCWIJ-UHFFFAOYSA-N 0 1 265.233 -0.072 20 5 CBBDMN CC(C)(C(=O)NCc1c[nH]nn1)n1cc([N+](=O)[O-])cn1 ZINC000610663236 355784012 /nfs/dbraw/zinc/78/40/12/355784012.db2.gz NIKXEBOHAIGHLC-UHFFFAOYSA-N 0 1 279.260 -0.039 20 5 CBBDMN CCCc1[nH]nc(C(=O)N2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000610669228 355785122 /nfs/dbraw/zinc/78/51/22/355785122.db2.gz NDHKFZJSVMJFFK-OCAPTIKFSA-N 0 1 298.299 -0.162 20 5 CBBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1nn[nH]n1 ZINC000611528291 355803791 /nfs/dbraw/zinc/80/37/91/355803791.db2.gz DVSHVUUQJIGZOP-UHFFFAOYSA-N 0 1 263.217 -0.380 20 5 CBBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1nnc[nH]1 ZINC000360686695 373227193 /nfs/dbraw/zinc/22/71/93/373227193.db2.gz ZKGFTYHCLGDRQG-YFKPBYRVSA-N 0 1 265.233 -0.063 20 5 CBBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1 ZINC000360733968 373231188 /nfs/dbraw/zinc/23/11/88/373231188.db2.gz DKHXPXACOGVORM-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000360738718 373232043 /nfs/dbraw/zinc/23/20/43/373232043.db2.gz LAMFZQMDXKCTCC-KYXWUPHJSA-N 0 1 286.284 -0.169 20 5 CBBDMN Cn1nnc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000362969345 373470290 /nfs/dbraw/zinc/47/02/90/373470290.db2.gz LBMYIBSFOWFNCB-UHFFFAOYSA-N 0 1 298.284 -0.403 20 5 CBBDMN COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371096638 373551804 /nfs/dbraw/zinc/55/18/04/373551804.db2.gz CLSOREUKJYJURF-PRJMDXOYSA-N 0 1 258.230 -0.948 20 5 CBBDMN COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371096636 373552543 /nfs/dbraw/zinc/55/25/43/373552543.db2.gz CLSOREUKJYJURF-CSMHCCOUSA-N 0 1 258.230 -0.948 20 5 CBBDMN CN(C(=O)CNC(CO)CO)c1ccc([N+](=O)[O-])cc1 ZINC000521267632 373841403 /nfs/dbraw/zinc/84/14/03/373841403.db2.gz UTGZCPOEXZIIMQ-UHFFFAOYSA-N 0 1 283.284 -0.500 20 5 CBBDMN COC(=O)c1nc[nH]c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000550080969 374229545 /nfs/dbraw/zinc/22/95/45/374229545.db2.gz YQBOEBYHRAECRT-UHFFFAOYSA-N 0 1 294.227 -0.060 20 5 CBBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC(=O)NC1=O ZINC000264142757 190092665 /nfs/dbraw/zinc/09/26/65/190092665.db2.gz FUUKTYDPCBRJDX-ZCFIWIBFSA-N 0 1 295.255 -0.496 20 5 CBBDMN CNC(=O)[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264159022 190093142 /nfs/dbraw/zinc/09/31/42/190093142.db2.gz HYXMZQGTCSCEMR-ZETCQYMHSA-N 0 1 281.272 -0.023 20 5 CBBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000356355966 248237705 /nfs/dbraw/zinc/23/77/05/248237705.db2.gz HQRSTABEXRNORQ-YFKPBYRVSA-N 0 1 253.214 -0.096 20 5 CBBDMN COCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356461360 248254820 /nfs/dbraw/zinc/25/48/20/248254820.db2.gz OURSMYPOXQCYNR-SECBINFHSA-N 0 1 297.315 -0.221 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1CO ZINC000357643483 248387394 /nfs/dbraw/zinc/38/73/94/248387394.db2.gz LPXCRIKXPNONPM-KOLCDFICSA-N 0 1 282.252 -0.132 20 5 CBBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCc1nc[nH]n1 ZINC000346823911 218025325 /nfs/dbraw/zinc/02/53/25/218025325.db2.gz FZSUBBSDSKUJFD-UHFFFAOYSA-N 0 1 277.244 -0.139 20 5 CBBDMN CCCN(CC(N)=O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000346942639 218066189 /nfs/dbraw/zinc/06/61/89/218066189.db2.gz MRRJEUWTMFEQMS-UHFFFAOYSA-N 0 1 269.261 -0.036 20 5 CBBDMN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000443037009 208376513 /nfs/dbraw/zinc/37/65/13/208376513.db2.gz NATAQSVIVWLPNO-FSPLSTOPSA-N 0 1 267.245 -0.428 20 5 CBBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000278659526 285164596 /nfs/dbraw/zinc/16/45/96/285164596.db2.gz HTICRBQHTSHOIZ-ZMLRMANQSA-N 0 1 298.295 -0.628 20 5 CBBDMN COCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285557607 196325589 /nfs/dbraw/zinc/32/55/89/196325589.db2.gz VBYOUGKCJRHGPZ-MRVPVSSYSA-N 0 1 283.288 -0.232 20 5 CBBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285597645 196339139 /nfs/dbraw/zinc/33/91/39/196339139.db2.gz YBWDQCXMRGWQFH-SECBINFHSA-N 0 1 296.331 -0.316 20 5 CBBDMN NCC(=O)NCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676229 174373778 /nfs/dbraw/zinc/37/37/78/174373778.db2.gz LJVYLLXHPGKBGP-UHFFFAOYSA-N 0 1 280.284 -0.672 20 5 CBBDMN CN1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044684497 175230687 /nfs/dbraw/zinc/23/06/87/175230687.db2.gz HCDLBSKVVHRQNZ-UHFFFAOYSA-N 0 1 296.331 -0.845 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(CC2CC2)CC1 ZINC000147556543 544464368 /nfs/dbraw/zinc/46/43/68/544464368.db2.gz WOVWDLRQDMFUCQ-UHFFFAOYSA-N 0 1 294.315 -0.260 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000044929394 419433781 /nfs/dbraw/zinc/43/37/81/419433781.db2.gz XUVNPVRQTIVKMM-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000358602474 419908346 /nfs/dbraw/zinc/90/83/46/419908346.db2.gz RNVQSRUIVZBDHH-UHFFFAOYSA-N 0 1 279.260 -0.423 20 5 CBBDMN C[C@H](CO)N1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000364932484 420049084 /nfs/dbraw/zinc/04/90/84/420049084.db2.gz FOJZWLILKJADPY-SECBINFHSA-N 0 1 297.315 -0.153 20 5 CBBDMN O=C(N[C@@H]1CCCn2ncnc21)[C@H]1CC1[N+](=O)[O-] ZINC000365917358 420071060 /nfs/dbraw/zinc/07/10/60/420071060.db2.gz BXLNWTUDSYBQCQ-RNJXMRFFSA-N 0 1 251.246 -0.106 20 5 CBBDMN Cc1nc([C@@H]2COCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000369433666 420159732 /nfs/dbraw/zinc/15/97/32/420159732.db2.gz BVAGVBOTEDQHRQ-VGMNWLOBSA-N 0 1 282.256 -0.057 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405214719 420225478 /nfs/dbraw/zinc/22/54/78/420225478.db2.gz JOYHDJKIOJAOAW-GXSJLCMTSA-N 0 1 294.311 -0.176 20 5 CBBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC000423719699 420257360 /nfs/dbraw/zinc/25/73/60/420257360.db2.gz GEKVZVNEEOHYMP-SNVBAGLBSA-N 0 1 291.267 0.398 20 5 CBBDMN CCOC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496785516 420327154 /nfs/dbraw/zinc/32/71/54/420327154.db2.gz NKPUOYTVGFBNAQ-IWSPIJDZSA-N 0 1 271.273 -0.001 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376431702 230250585 /nfs/dbraw/zinc/25/05/85/230250585.db2.gz AMFFWSWTHYJTGM-XSPKLOCKSA-N 0 1 274.298 -0.703 20 5 CBBDMN Cc1nnc2n1C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000377362628 230286206 /nfs/dbraw/zinc/28/62/06/230286206.db2.gz OVYLQWXQNRARPZ-VGMNWLOBSA-N 0 1 265.273 -0.317 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000377713412 230300300 /nfs/dbraw/zinc/30/03/00/230300300.db2.gz WRHJDXUHCXULEB-LSJOCFKGSA-N 0 1 279.300 -0.220 20 5 CBBDMN CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000370221131 279251069 /nfs/dbraw/zinc/25/10/69/279251069.db2.gz SMDXNBYRLYRLRM-YIZRAAEISA-N 0 1 296.283 -0.854 20 5 CBBDMN Cn1cnc2c1CCN(C(=O)[C@H]1CC1[N+](=O)[O-])C2 ZINC000370744535 279386559 /nfs/dbraw/zinc/38/65/59/279386559.db2.gz GZPFARXUGMXKSW-OIBJUYFYSA-N 0 1 250.258 -0.030 20 5 CBBDMN Cc1nc2n(n1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000377963119 534697716 /nfs/dbraw/zinc/69/77/16/534697716.db2.gz NPSGVMWWUKJETI-SFYZADRCSA-N 0 1 251.246 -0.406 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c[nH]nn1 ZINC000789932419 582389496 /nfs/dbraw/zinc/38/94/96/582389496.db2.gz YUMPXSUNVPGLNH-UHFFFAOYSA-N 0 1 251.206 -0.143 20 5 CBBDMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000817772431 582493634 /nfs/dbraw/zinc/49/36/34/582493634.db2.gz ZEFAGJXHXAYJSU-VXNVDRBHSA-N 0 1 272.261 -0.443 20 5 CBBDMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828024250 582840557 /nfs/dbraw/zinc/84/05/57/582840557.db2.gz KHLLJHFWIJTWMN-JQWIXIFHSA-N 0 1 298.299 -0.051 20 5 CBBDMN CC[N@H+](CC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000829635626 582892867 /nfs/dbraw/zinc/89/28/67/582892867.db2.gz KRNZZLRWZNEVBM-VIFPVBQESA-N 0 1 272.261 -0.441 20 5 CBBDMN O=C([O-])N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000832031689 583011066 /nfs/dbraw/zinc/01/10/66/583011066.db2.gz XNQCMRDVKTWREC-JTQLQIEISA-N 0 1 299.287 -0.552 20 5 CBBDMN O=C(NCC1CC2(C1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000832176610 583015590 /nfs/dbraw/zinc/01/55/90/583015590.db2.gz BJRZBIOGXSEWJL-RKDXNWHRSA-N 0 1 256.258 -0.079 20 5 CBBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833291499 583062601 /nfs/dbraw/zinc/06/26/01/583062601.db2.gz WOVFSBSGMGRJID-SFYZADRCSA-N 0 1 270.245 -0.689 20 5 CBBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833291499 583062603 /nfs/dbraw/zinc/06/26/03/583062603.db2.gz WOVFSBSGMGRJID-SFYZADRCSA-N 0 1 270.245 -0.689 20 5 CBBDMN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839544427 583156370 /nfs/dbraw/zinc/15/63/70/583156370.db2.gz KJNJSRXSYXDJDO-RBXMUDONSA-N 0 1 255.274 -0.236 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000839658991 583157402 /nfs/dbraw/zinc/15/74/02/583157402.db2.gz WCBZAJMQVTZUJH-UKKRHICBSA-N 0 1 271.317 -0.123 20 5 CBBDMN Cn1cc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000839661669 583157427 /nfs/dbraw/zinc/15/74/27/583157427.db2.gz DTQWVDRQEDWEFQ-VXGBXAGGSA-N 0 1 293.327 -0.271 20 5 CBBDMN CCOCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839674692 583157670 /nfs/dbraw/zinc/15/76/70/583157670.db2.gz FUCFJEMIINDMNJ-GHMZBOCLSA-N 0 1 271.317 -0.168 20 5 CBBDMN CC(C)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000839684405 583157726 /nfs/dbraw/zinc/15/77/26/583157726.db2.gz VFFVCUZYVZYJJO-HRDYMLBCSA-N 0 1 255.274 -0.223 20 5 CBBDMN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839690063 583157768 /nfs/dbraw/zinc/15/77/68/583157768.db2.gz BYSUMVZOLJGKIQ-HLTSFMKQSA-N 0 1 272.257 -0.558 20 5 CBBDMN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700883 583158006 /nfs/dbraw/zinc/15/80/06/583158006.db2.gz NCVMFVGHGMMYRE-IWSPIJDZSA-N 0 1 291.329 -0.808 20 5 CBBDMN Nc1nsc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000839700345 583158065 /nfs/dbraw/zinc/15/80/65/583158065.db2.gz RPUZZSPFLNAAEO-RNFRBKRXSA-N 0 1 298.328 -0.566 20 5 CBBDMN CCC[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717941 583158357 /nfs/dbraw/zinc/15/83/57/583158357.db2.gz PSZCJIAXUJPNJS-HRDYMLBCSA-N 0 1 255.274 -0.221 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](O)CC(F)(F)C1 ZINC000839734852 583158698 /nfs/dbraw/zinc/15/86/98/583158698.db2.gz ZCRVARMZIHOZRM-RRKCRQDMSA-N 0 1 250.201 -0.120 20 5 CBBDMN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725644 583158751 /nfs/dbraw/zinc/15/87/51/583158751.db2.gz HWBUHFLABZYUFF-RWYTXXIDSA-N 0 1 288.300 -0.140 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N(CC2CC2)C1 ZINC000839749336 583159250 /nfs/dbraw/zinc/15/92/50/583159250.db2.gz RAHYTYYDAVNVLQ-RKDXNWHRSA-N 0 1 253.258 -0.310 20 5 CBBDMN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762580 583159644 /nfs/dbraw/zinc/15/96/44/583159644.db2.gz SMSGCLMWHYFIJJ-NNYUYHANSA-N 0 1 283.328 -0.027 20 5 CBBDMN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762579 583159747 /nfs/dbraw/zinc/15/97/47/583159747.db2.gz SMSGCLMWHYFIJJ-IRCOFANPSA-N 0 1 283.328 -0.027 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](O)(C(F)F)C1 ZINC000839782722 583159878 /nfs/dbraw/zinc/15/98/78/583159878.db2.gz LMNDFEDHEFOWFG-KCRUCZTKSA-N 0 1 250.201 -0.120 20 5 CBBDMN COCC[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840437343 583164968 /nfs/dbraw/zinc/16/49/68/583164968.db2.gz QAMDEVIFQVSJGH-FXPVBKGRSA-N 0 1 258.274 -0.037 20 5 CBBDMN C[C@H]1CN(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000840673555 583166713 /nfs/dbraw/zinc/16/67/13/583166713.db2.gz SGVDBUHPKYABJV-IVZWLZJFSA-N 0 1 258.274 -0.085 20 5 CBBDMN CCOC(=O)C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854537934 583606276 /nfs/dbraw/zinc/60/62/76/583606276.db2.gz CWDDWYBFGGHXBC-XLPZGREQSA-N 0 1 260.246 -0.918 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000855676974 583646846 /nfs/dbraw/zinc/64/68/46/583646846.db2.gz MQPQOIZAKIGRHC-SGIHWFKDSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000855676973 583646913 /nfs/dbraw/zinc/64/69/13/583646913.db2.gz MQPQOIZAKIGRHC-QCLAVDOMSA-N 0 1 267.285 -0.221 20 5 CBBDMN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856086445 583655249 /nfs/dbraw/zinc/65/52/49/583655249.db2.gz ZQVLLYPHSVNYLO-OPRDCNLKSA-N 0 1 284.316 -0.134 20 5 CBBDMN Nc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000863330242 583839000 /nfs/dbraw/zinc/83/90/00/583839000.db2.gz YDVBJFTWUQWYLT-SNVBAGLBSA-N 0 1 294.311 -0.027 20 5 CBBDMN Nc1ccc(C(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000863330242 583839002 /nfs/dbraw/zinc/83/90/02/583839002.db2.gz YDVBJFTWUQWYLT-SNVBAGLBSA-N 0 1 294.311 -0.027 20 5 CBBDMN CCOC(=O)[C@@]1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000871221831 584033024 /nfs/dbraw/zinc/03/30/24/584033024.db2.gz LNDCYZYTERRPPI-KBVBSXBZSA-N 0 1 286.284 -0.168 20 5 CBBDMN CC[C@@H]1COCCN1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000874710554 584090105 /nfs/dbraw/zinc/09/01/05/584090105.db2.gz KFRRAFYVOUCSAW-GMTAPVOTSA-N 0 1 271.317 -0.121 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)N2CCC[C@@H]21 ZINC000888161159 584484598 /nfs/dbraw/zinc/48/45/98/584484598.db2.gz HTAMARUNMXXEAD-HLTSFMKQSA-N 0 1 253.258 -0.168 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(N2CCCC2=O)C1 ZINC000888748600 584503957 /nfs/dbraw/zinc/50/39/57/584503957.db2.gz BOPXOEKVSUFECO-RKDXNWHRSA-N 0 1 253.258 -0.515 20 5 CBBDMN COC(=O)[C@@]1(C)C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC000893574568 584642653 /nfs/dbraw/zinc/64/26/53/584642653.db2.gz KZVUVLDPFXIIEB-FNOROQBZSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=[N+]([O-])c1cnn(CCn2cnc(-c3nn[nH]n3)n2)c1 ZINC000738373359 599112134 /nfs/dbraw/zinc/11/21/34/599112134.db2.gz AZJMFTBSNIPCKO-UHFFFAOYSA-N 0 1 276.220 -0.737 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCOC)C1 ZINC000950056190 614652165 /nfs/dbraw/zinc/65/21/65/614652165.db2.gz WKOJNDODYQQGKQ-GHMZBOCLSA-N 0 1 271.317 -0.169 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccc[nH]2)C1 ZINC000954234404 615867361 /nfs/dbraw/zinc/86/73/61/615867361.db2.gz AUFHSUSDJZEKIS-MWLCHTKSSA-N 0 1 292.295 -0.037 20 5 CBBDMN CN(C(=O)c1ncc[nH]1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954222979 615939959 /nfs/dbraw/zinc/93/99/59/615939959.db2.gz GBURJQIYXJJHPK-RKDXNWHRSA-N 0 1 293.283 -0.642 20 5 CBBDMN Cc1cnoc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000998967808 656599212 /nfs/dbraw/zinc/59/92/12/656599212.db2.gz MBEVHMLZACSQMO-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN CNC(=O)CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000670144 656757564 /nfs/dbraw/zinc/75/75/64/656757564.db2.gz ONPIUQCDTCDLFS-GHMZBOCLSA-N 0 1 296.327 -0.854 20 5 CBBDMN CC(C)(F)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001797064 656821845 /nfs/dbraw/zinc/82/18/45/656821845.db2.gz VIPLVPRKQZHHOA-RKDXNWHRSA-N 0 1 287.291 -0.026 20 5 CBBDMN O=C(c1ccn[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001010415532 657180802 /nfs/dbraw/zinc/18/08/02/657180802.db2.gz WJWOGJOOJOURMQ-PSASIEDQSA-N 0 1 293.283 -0.641 20 5 CBBDMN O=C(c1cc[nH]n1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010415532 657180807 /nfs/dbraw/zinc/18/08/07/657180807.db2.gz WJWOGJOOJOURMQ-PSASIEDQSA-N 0 1 293.283 -0.641 20 5 CBBDMN O=C(c1cnon1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114271 657258569 /nfs/dbraw/zinc/25/85/69/657258569.db2.gz CRZZGSYVIXPGHC-VXNVDRBHSA-N 0 1 295.255 -0.981 20 5 CBBDMN CC1(C)CC(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913060838 657374583 /nfs/dbraw/zinc/37/45/83/657374583.db2.gz MUPOMYAGWNNIDX-HTQZYQBOSA-N 0 1 255.274 -0.221 20 5 CBBDMN CC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017213775 657747652 /nfs/dbraw/zinc/74/76/52/657747652.db2.gz RFFYNOFCHGEIBZ-GHMZBOCLSA-N 0 1 267.285 -0.054 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCN1C ZINC000928563817 659046189 /nfs/dbraw/zinc/04/61/89/659046189.db2.gz SKEKOPRGDJKZQU-SECBINFHSA-N 0 1 267.289 -0.080 20 5 CBBDMN CN1CC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000928569604 659048428 /nfs/dbraw/zinc/04/84/28/659048428.db2.gz NJZNIEQRNOCUDE-MRVPVSSYSA-N 0 1 253.262 -0.388 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000972874004 659129919 /nfs/dbraw/zinc/12/99/19/659129919.db2.gz VPRFSMMBLWQDCQ-ZYUZMQFOSA-N 0 1 267.285 -0.175 20 5 CBBDMN CC(C)(F)C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990050686 659657038 /nfs/dbraw/zinc/65/70/38/659657038.db2.gz ZCSFRAUIIUARLY-HTQZYQBOSA-N 0 1 273.264 -0.273 20 5 CBBDMN Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC000990171208 659693058 /nfs/dbraw/zinc/69/30/58/659693058.db2.gz NFIUNRPFFIPCDF-PSASIEDQSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnns1 ZINC000990353385 659730454 /nfs/dbraw/zinc/73/04/54/659730454.db2.gz JWOBPMNCALDTBC-RNFRBKRXSA-N 0 1 297.296 -0.856 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccon1 ZINC000990366510 659732709 /nfs/dbraw/zinc/73/27/09/659732709.db2.gz PXJBVTLHCFEKAS-VXNVDRBHSA-N 0 1 280.240 -0.720 20 5 CBBDMN Cc1ocnc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990396724 659733471 /nfs/dbraw/zinc/73/34/71/659733471.db2.gz SAPHSZCOLMEOGF-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN Cn1nccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990428411 659740127 /nfs/dbraw/zinc/74/01/27/659740127.db2.gz ZYJKWAXTLDJJLF-PSASIEDQSA-N 0 1 293.283 -0.974 20 5 CBBDMN CC(C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991282157 659829579 /nfs/dbraw/zinc/82/95/79/659829579.db2.gz XIPUGKRQCHJPQJ-RKDXNWHRSA-N 0 1 255.274 -0.365 20 5 CBBDMN CCCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279174 659829663 /nfs/dbraw/zinc/82/96/63/659829663.db2.gz JKXIAPXFNOGHMB-RKDXNWHRSA-N 0 1 255.274 -0.221 20 5 CBBDMN O=C(NC1CN(C(=O)c2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991280419 659829747 /nfs/dbraw/zinc/82/97/47/659829747.db2.gz QRJCALOOBDWSCH-GHMZBOCLSA-N 0 1 290.279 -0.313 20 5 CBBDMN Cn1cccc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991281535 659829758 /nfs/dbraw/zinc/82/97/58/659829758.db2.gz USDBATYYNQNCMT-MWLCHTKSSA-N 0 1 292.295 -0.369 20 5 CBBDMN O=C(/C=C\C1CC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991280360 659829850 /nfs/dbraw/zinc/82/98/50/659829850.db2.gz QDOSRUVFYMHZAF-ANDSXOESSA-N 0 1 279.296 -0.055 20 5 CBBDMN O=C(NC1CN(C(=O)c2cc(F)c[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991289877 659830366 /nfs/dbraw/zinc/83/03/66/659830366.db2.gz GUWMHSYHBKSGLX-PSASIEDQSA-N 0 1 296.258 -0.240 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccnnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991291347 659830389 /nfs/dbraw/zinc/83/03/89/659830389.db2.gz VKOYNAXXPBILSF-NXEZZACHSA-N 0 1 291.267 -0.918 20 5 CBBDMN O=C(NC1CN(C(=O)C2(CF)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991294324 659830991 /nfs/dbraw/zinc/83/09/91/659830991.db2.gz IUPTVIDBQOTNGI-RKDXNWHRSA-N 0 1 285.275 -0.272 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccsn1 ZINC000994455053 659881950 /nfs/dbraw/zinc/88/19/50/659881950.db2.gz OGEAWUGKCCMANW-VXNVDRBHSA-N 0 1 296.308 -0.251 20 5 CBBDMN COc1ncnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164668475 719394345 /nfs/dbraw/zinc/39/43/45/719394345.db2.gz RTOJSIBSYSFHIA-IUCAKERBSA-N 0 1 295.299 -0.087 20 5 CBBDMN CN1C(=O)N=NC1CNc1ncc([N+](=O)[O-])cn1 ZINC000821997767 790833051 /nfs/dbraw/zinc/83/30/51/790833051.db2.gz XDYDVIVYVSNVIN-UHFFFAOYSA-N 0 1 251.206 -0.169 20 5 CBBDMN O=C(NC1CN(Cc2cnsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292409 799290446 /nfs/dbraw/zinc/29/04/46/799290446.db2.gz HBOAMFWUZQONEB-RKDXNWHRSA-N 0 1 283.313 -0.496 20 5 CBBDMN Cc1nnc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC001031663424 799530273 /nfs/dbraw/zinc/53/02/73/799530273.db2.gz ZGYYLTKHKBKCFO-NXEZZACHSA-N 0 1 294.315 -0.674 20 5 CBBDMN O=C(NCC1CN(Cc2cnns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662633 799530313 /nfs/dbraw/zinc/53/03/13/799530313.db2.gz JTESLADJWBUOPI-NXEZZACHSA-N 0 1 297.340 -0.249 20 5 CBBDMN Cc1nnc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC001042710830 801510942 /nfs/dbraw/zinc/51/09/42/801510942.db2.gz LIOUGDNQCGDAAG-NXEZZACHSA-N 0 1 294.315 -0.579 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)N2CCC2)C1 ZINC001042705247 801511080 /nfs/dbraw/zinc/51/10/80/801511080.db2.gz OGFSJRZERNHGHE-GHMZBOCLSA-N 0 1 296.327 -0.974 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cnn(C)n2)C1 ZINC001042705211 801511370 /nfs/dbraw/zinc/51/13/70/801511370.db2.gz MLBNRBAOULLXLK-GHMZBOCLSA-N 0 1 294.315 -0.877 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cnon2)C1 ZINC001042710442 801511612 /nfs/dbraw/zinc/51/16/12/801511612.db2.gz CKCXBDPAGZUSFM-NXEZZACHSA-N 0 1 281.272 -0.623 20 5 CBBDMN COCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705265 801511668 /nfs/dbraw/zinc/51/16/68/801511668.db2.gz AJADJIGFENOTEM-NXEZZACHSA-N 0 1 257.290 -0.559 20 5 CBBDMN COCCN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001053253791 802244674 /nfs/dbraw/zinc/24/46/74/802244674.db2.gz YPRRXISEWDHVRL-GHMZBOCLSA-N 0 1 299.327 -0.789 20 5 CBBDMN C/C=C(\C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543782 802514241 /nfs/dbraw/zinc/51/42/41/802514241.db2.gz XQTIVIQJVJEZRU-VIXUHMKYSA-N 0 1 299.327 -0.445 20 5 CBBDMN O=C(NC[C@@H]1CCCS1(=O)=O)c1n[nH]cc1[N+](=O)[O-] ZINC001117994375 812461751 /nfs/dbraw/zinc/46/17/51/812461751.db2.gz LOYBGASPRMRKAZ-LURJTMIESA-N 0 1 288.285 -0.375 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001321590505 803787937 /nfs/dbraw/zinc/78/79/37/803787937.db2.gz UBEOXCGVNNGXPY-LURJTMIESA-N 0 1 267.245 -0.426 20 5 CBBDMN COC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC001323543221 804041411 /nfs/dbraw/zinc/04/14/11/804041411.db2.gz FKNDOZUEQHBONZ-RXMQYKEDSA-N 0 1 272.217 -0.764 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3n[nH]nc3C2)c1 ZINC001324453718 804155863 /nfs/dbraw/zinc/15/58/63/804155863.db2.gz WXAVRQDVUUNWCA-VIFPVBQESA-N 0 1 293.287 -0.671 20 5 CBBDMN CNC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC001325151931 804248855 /nfs/dbraw/zinc/24/88/55/804248855.db2.gz ZAQKTXJQKXGIRP-ZETCQYMHSA-N 0 1 297.271 -0.787 20 5 CBBDMN CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066569622 805105562 /nfs/dbraw/zinc/10/55/62/805105562.db2.gz KUEOSYCCSOINGH-NXEZZACHSA-N 0 1 257.290 -0.022 20 5 CBBDMN O=C(NC1CN(c2ccncn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001152384977 815119117 /nfs/dbraw/zinc/11/91/17/815119117.db2.gz ASTCIUCNEGKGIP-RKDXNWHRSA-N 0 1 263.257 -0.553 20 5 CBBDMN Cc1ncc([N+](=O)[O-])c([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155573147 815295495 /nfs/dbraw/zinc/29/54/95/815295495.db2.gz YPDGXSXNIDAVCI-GZMMTYOYSA-N 0 1 278.272 -0.317 20 5 CBBDMN CCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001094290709 810710690 /nfs/dbraw/zinc/71/06/90/810710690.db2.gz GTRRYXMQYBTAIZ-GHMZBOCLSA-N 0 1 294.315 -0.564 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])cnc1-n1nnnc1CN ZINC001158074610 815500430 /nfs/dbraw/zinc/50/04/30/815500430.db2.gz JWAINPRVNYOJAR-UHFFFAOYSA-N 0 1 279.216 -0.789 20 5 CBBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001117737929 812441616 /nfs/dbraw/zinc/44/16/16/812441616.db2.gz XUVQGWJHZHOZTB-DTWKUNHWSA-N 0 1 295.299 -0.401 20 5 CBBDMN C[C@H]1CNCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195582 812490273 /nfs/dbraw/zinc/49/02/73/812490273.db2.gz ODXWZEAGNSWALH-VIFPVBQESA-N 0 1 280.284 -0.423 20 5 CBBDMN COc1nc(NC[C@H]2COCCN2)nc(OC)c1[N+](=O)[O-] ZINC001159043615 815556242 /nfs/dbraw/zinc/55/62/42/815556242.db2.gz VQQGWVYKLOGYLH-ZETCQYMHSA-N 0 1 299.287 -0.198 20 5 CBBDMN CCc1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001126932294 813694988 /nfs/dbraw/zinc/69/49/88/813694988.db2.gz QULRQZNLPYTRAK-RKDXNWHRSA-N 0 1 296.331 -0.752 20 5 CBBDMN CN(C)c1noc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932306 813695130 /nfs/dbraw/zinc/69/51/30/813695130.db2.gz RJEMHPVKRDJPEZ-HTQZYQBOSA-N 0 1 298.303 -0.993 20 5 CBBDMN CCn1ncc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936246 813696364 /nfs/dbraw/zinc/69/63/64/813696364.db2.gz CNGARGGSXGWSNJ-NXEZZACHSA-N 0 1 282.304 -0.831 20 5 CBBDMN COCCNC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001129536967 813850917 /nfs/dbraw/zinc/85/09/17/813850917.db2.gz SFRCXFMDUXUJDN-HTQZYQBOSA-N 0 1 271.273 -0.937 20 5 CBBDMN O=C(NCCCN1CCCS1(=O)=O)[C@@H]1CC1[N+](=O)[O-] ZINC001131890251 814081516 /nfs/dbraw/zinc/08/15/16/814081516.db2.gz CQLMQBZVWLBDKA-RKDXNWHRSA-N 0 1 291.329 -0.807 20 5 CBBDMN Cc1nnc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001138329148 814606274 /nfs/dbraw/zinc/60/62/74/814606274.db2.gz KJILBLGIHLOIAQ-HTQZYQBOSA-N 0 1 253.262 -0.553 20 5 CBBDMN COC[C@]1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001140961614 814646733 /nfs/dbraw/zinc/64/67/33/814646733.db2.gz RRGNBABGUSBLMZ-FXPVBKGRSA-N 0 1 258.274 -0.491 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1nnc[nH]1 ZINC001142370914 814711668 /nfs/dbraw/zinc/71/16/68/814711668.db2.gz LHUSZWYGTRQYJC-UHFFFAOYSA-N 0 1 265.233 -0.466 20 5 CBBDMN COCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001290036348 816430213 /nfs/dbraw/zinc/43/02/13/816430213.db2.gz ISOGUTUCODYSGD-LMLFDSFASA-N 0 1 299.327 -0.301 20 5 CBBDMN Cn1ccc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001293237720 816514191 /nfs/dbraw/zinc/51/41/91/816514191.db2.gz IEKMTJQDXQBIJJ-GHMZBOCLSA-N 0 1 294.311 -0.074 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001296065028 816598784 /nfs/dbraw/zinc/59/87/84/816598784.db2.gz MFNDECYWADUCRG-RKDXNWHRSA-N 0 1 295.299 -0.808 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1=CCOCC1 ZINC001296065072 816598807 /nfs/dbraw/zinc/59/88/07/816598807.db2.gz MPILEMHGRMPAEC-GHMZBOCLSA-N 0 1 297.311 -0.427 20 5 CBBDMN CCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297156230 816633203 /nfs/dbraw/zinc/63/32/03/816633203.db2.gz UEKINLCTOKSQLJ-RKDXNWHRSA-N 0 1 255.274 -0.364 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001301121713 816744007 /nfs/dbraw/zinc/74/40/07/816744007.db2.gz IWXCDHQUTIUIEA-MADCSZMMSA-N 0 1 298.299 -0.162 20 5 CBBDMN CC1(C)CNC(=O)[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC001308047295 816817195 /nfs/dbraw/zinc/81/71/95/816817195.db2.gz WPGAWXOHUVWWJM-NSHDSACASA-N 0 1 294.311 -0.129 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2cnsn2)CC1 ZINC001313445193 816867178 /nfs/dbraw/zinc/86/71/78/816867178.db2.gz QHVHMTUMXNXLTE-NXEZZACHSA-N 0 1 297.340 -0.153 20 5 CBBDMN COCC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001317099451 816932120 /nfs/dbraw/zinc/93/21/20/816932120.db2.gz DURJBNQNEBBKQV-DTORHVGOSA-N 0 1 297.315 -0.289 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC001318489821 817114025 /nfs/dbraw/zinc/11/40/25/817114025.db2.gz HVHNZNNEEZKRIE-UHFFFAOYSA-N 0 1 288.285 -0.503 20 5 CBBDMN CCc1nncn1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319606071 817223542 /nfs/dbraw/zinc/22/35/42/817223542.db2.gz DNAFEXMEQDBGRY-UHFFFAOYSA-N 0 1 279.260 -0.098 20 5 CBBDMN O=C(NCCn1ccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC001319596466 817224276 /nfs/dbraw/zinc/22/42/76/817224276.db2.gz MEVBFXRPDJKJCU-UHFFFAOYSA-N 0 1 250.218 -0.056 20 5 CBBDMN O=C(NC[C@H]1CCCNC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001321344260 817485846 /nfs/dbraw/zinc/48/58/46/817485846.db2.gz OWCJQQMJMYQBBF-ZCFIWIBFSA-N 0 1 267.245 -0.426 20 5 CBBDMN O=C1NCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C12CNC2 ZINC001165297565 819951502 /nfs/dbraw/zinc/95/15/02/819951502.db2.gz GXCIVFYKZKSGJT-UHFFFAOYSA-N 0 1 297.702 -0.079 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001165443552 819965528 /nfs/dbraw/zinc/96/55/28/819965528.db2.gz YGYFZMAGTFVIFE-VIFPVBQESA-N 0 1 281.272 -0.356 20 5 CBBDMN Cc1ncc(CN)c(=N)n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167673569 820109797 /nfs/dbraw/zinc/10/97/97/820109797.db2.gz BXLIKVCZUWAEFZ-UHFFFAOYSA-N 0 1 276.256 -0.340 20 5 CBBDMN CN1CCN(C(=N)Nc2nccnc2[N+](=O)[O-])CC1 ZINC001168736144 820170279 /nfs/dbraw/zinc/17/02/79/820170279.db2.gz KQWBAKQDQOIEHZ-UHFFFAOYSA-N 0 1 265.277 -0.021 20 5 CBBDMN CN1CCN(C(=N)Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC001168737330 820172193 /nfs/dbraw/zinc/17/21/93/820172193.db2.gz ZKVUXGLNNDEMIQ-UHFFFAOYSA-N 0 1 265.277 -0.021 20 5 CBBDMN COc1ccc([N+](=O)[O-])c(-n2nnnc2CN)n1 ZINC001168918220 820189601 /nfs/dbraw/zinc/18/96/01/820189601.db2.gz RXGMWXXMFNRPNW-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN NCc1nnnn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001168918264 820189744 /nfs/dbraw/zinc/18/97/44/820189744.db2.gz TUMRLGGVVIGMBW-UHFFFAOYSA-N 0 1 256.613 -0.527 20 5 CBBDMN NCc1nnnn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001168923201 820193599 /nfs/dbraw/zinc/19/35/99/820193599.db2.gz GYZNLCNZZSIKGG-UHFFFAOYSA-N 0 1 260.217 -0.323 20 5 CBBDMN NC(=O)CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040050 820201365 /nfs/dbraw/zinc/20/13/65/820201365.db2.gz XGMDEPUWLZVMHB-GHMZBOCLSA-N 0 1 270.333 -0.465 20 5 CBBDMN CN1CCN(C2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036913 820201486 /nfs/dbraw/zinc/20/14/86/820201486.db2.gz QUMGFOFJHIGWBC-NWDGAFQWSA-N 0 1 296.371 -0.110 20 5 CBBDMN NC(=O)c1ccnc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001170042642 820275901 /nfs/dbraw/zinc/27/59/01/820275901.db2.gz RHUCPIOSFXLZRI-ZETCQYMHSA-N 0 1 281.272 -0.511 20 5 CBBDMN Cn1cc(NC[C@@H]2COCCN2)cc([N+](=O)[O-])c1=O ZINC001170044206 820276250 /nfs/dbraw/zinc/27/62/50/820276250.db2.gz LIUZYMWMXUXBOJ-SECBINFHSA-N 0 1 268.273 -0.306 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](CO)Cc1cnc[nH]1 ZINC001174942054 820419250 /nfs/dbraw/zinc/41/92/50/820419250.db2.gz ZMOAXTIJFBASAI-VIFPVBQESA-N 0 1 294.271 -0.766 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC(CO)(CO)CC2)c1[N+](=O)[O-] ZINC001177265957 820501148 /nfs/dbraw/zinc/50/11/48/820501148.db2.gz QNSHLVZWXQSJJO-UHFFFAOYSA-N 0 1 298.299 -0.167 20 5 CBBDMN CCC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280554714 828360224 /nfs/dbraw/zinc/36/02/24/828360224.db2.gz SWNPAQDYGGZSQM-RKDXNWHRSA-N 0 1 285.300 -0.859 20 5 CBBDMN COCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284163206 828569611 /nfs/dbraw/zinc/56/96/11/828569611.db2.gz JEDBCFARDBOFIM-GPTQDWHKSA-N 0 1 297.311 -0.739 20 5 CBBDMN CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284162479 828570146 /nfs/dbraw/zinc/57/01/46/828570146.db2.gz CEUPGWQIRHAIKD-GPTQDWHKSA-N 0 1 297.311 -0.739 20 5 CBBDMN CN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284508078 828605448 /nfs/dbraw/zinc/60/54/48/828605448.db2.gz LGKGRDIOYJRUEB-NXEZZACHSA-N 0 1 295.299 -0.808 20 5 CBBDMN CN(CCNC(=O)c1csnn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284556091 828610307 /nfs/dbraw/zinc/61/03/07/828610307.db2.gz DTKYQDYLTGENQP-HTRCEHHLSA-N 0 1 299.312 -0.609 20 5 CBBDMN CC(C)(C)OCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284899640 828631555 /nfs/dbraw/zinc/63/15/55/828631555.db2.gz CNQNJNQDLGJPDP-NXEZZACHSA-N 0 1 299.327 -0.206 20 5 CBBDMN Cc1nc(OC[C@@H]2OCCN(C)C2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382938 825330655 /nfs/dbraw/zinc/33/06/55/825330655.db2.gz XTUOYVQZWGQVQU-ZETCQYMHSA-N 0 1 298.255 -0.365 20 5 CBBDMN NC(=O)[C@@H](CO)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579568 825967601 /nfs/dbraw/zinc/96/76/01/825967601.db2.gz SXUXPYNWMQAHTO-GXSJLCMTSA-N 0 1 265.269 -0.502 20 5 CBBDMN NC(=O)[C@H](CO)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579569 825967672 /nfs/dbraw/zinc/96/76/72/825967672.db2.gz SXUXPYNWMQAHTO-KOLCDFICSA-N 0 1 265.269 -0.502 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncn(C)n1 ZINC001255390809 825981526 /nfs/dbraw/zinc/98/15/26/825981526.db2.gz IXXVGJBSMJCXOZ-RXMQYKEDSA-N 0 1 265.233 -0.063 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)CCC(N)=O)c1[N+](=O)[O-] ZINC001258149680 826057940 /nfs/dbraw/zinc/05/79/40/826057940.db2.gz PMXPVINMJVTJSM-UHFFFAOYSA-N 0 1 255.234 -0.426 20 5 CBBDMN NC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC001265690676 826908843 /nfs/dbraw/zinc/90/88/43/826908843.db2.gz MSTWZUMPSWQTBO-OPRDCNLKSA-N 0 1 285.300 -0.562 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(COC(=O)N2)CC1 ZINC001266542634 827021044 /nfs/dbraw/zinc/02/10/44/827021044.db2.gz DCKXTIDBYJDLOP-HTQZYQBOSA-N 0 1 269.257 -0.247 20 5 CBBDMN Cn1cnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001274388477 827987210 /nfs/dbraw/zinc/98/72/10/827987210.db2.gz DIRUHMAGJRGBNK-UHFFFAOYSA-N 0 1 251.206 -0.291 20 5 CBBDMN CS(=O)(=O)CCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001326218066 884945552 /nfs/dbraw/zinc/94/55/52/884945552.db2.gz JGSBNUPLZZVWII-HTQZYQBOSA-N 0 1 264.303 -0.407 20 5 CBBDMN CC(C)=CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042975572 884623254 /nfs/dbraw/zinc/62/32/54/884623254.db2.gz OFVKUPHRGSQCOO-NXEZZACHSA-N 0 1 297.311 -0.693 20 5 CBBDMN CNC(=O)[C@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426495 886063015 /nfs/dbraw/zinc/06/30/15/886063015.db2.gz FCVKEUXMLHPVTD-QWRGUYRKSA-N 0 1 283.284 -0.675 20 5 CBBDMN O=C(NCCN1CC[C@@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001329567462 886124612 /nfs/dbraw/zinc/12/46/12/886124612.db2.gz IOOZMQJXDKPLNT-SSDOTTSWSA-N 0 1 269.261 -0.886 20 5 CBBDMN Cn1cc([C@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001447094319 913021554 /nfs/dbraw/zinc/02/15/54/913021554.db2.gz OABBNXIGTGUDIA-HRDYMLBCSA-N 0 1 254.246 -0.765 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001330116224 886362253 /nfs/dbraw/zinc/36/22/53/886362253.db2.gz WZKLOBCYTCUKGB-YUMQZZPRSA-N 0 1 298.299 -0.447 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC001333037355 887509538 /nfs/dbraw/zinc/50/95/38/887509538.db2.gz DVUPXRHSSSKBAG-NSHDSACASA-N 0 1 269.305 -0.600 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](N2CCC2)C1 ZINC001333409693 887628287 /nfs/dbraw/zinc/62/82/87/887628287.db2.gz NAXZGIVAXMGENK-VIFPVBQESA-N 0 1 280.288 -0.507 20 5 CBBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])S(C)(=O)=O ZINC001336532540 888789541 /nfs/dbraw/zinc/78/95/41/888789541.db2.gz UOTLSIRPZLKYJC-YFKPBYRVSA-N 0 1 276.274 -0.519 20 5 CBBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001338205066 889125920 /nfs/dbraw/zinc/12/59/20/889125920.db2.gz DQABQMSNTDBTIN-UHFFFAOYSA-N 0 1 254.294 -0.266 20 5 CBBDMN O=C(N[C@H]1CCCS(=O)(=O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001341368548 889584290 /nfs/dbraw/zinc/58/42/90/889584290.db2.gz BOVYTVRFGJRUPR-LURJTMIESA-N 0 1 288.285 -0.375 20 5 CBBDMN O=C1NC[C@@H](O)CC12CCN(CC[N+](=O)[O-])CC2 ZINC001342066048 889705951 /nfs/dbraw/zinc/70/59/51/889705951.db2.gz CRZAJSUXNZWCIN-VIFPVBQESA-N 0 1 257.290 -0.774 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCc1nc[nH]n1 ZINC001344524302 890036803 /nfs/dbraw/zinc/03/68/03/890036803.db2.gz QDTQLWMTBUMPJX-UHFFFAOYSA-N 0 1 293.287 -0.033 20 5 CBBDMN O=C(NC[C@@]1(O)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001344578701 890043524 /nfs/dbraw/zinc/04/35/24/890043524.db2.gz FPFMNGOGFVGHHP-VIFPVBQESA-N 0 1 256.218 -0.801 20 5 CBBDMN Cc1c[nH]c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001348935519 890728234 /nfs/dbraw/zinc/72/82/34/890728234.db2.gz RYBWBWYUOCOFFU-HTQZYQBOSA-N 0 1 281.272 -0.771 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001350660961 891023180 /nfs/dbraw/zinc/02/31/80/891023180.db2.gz IQRRJJVWXRJBQU-BWZBUEFSSA-N 0 1 262.287 -0.703 20 5 CBBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCNC[C@@H]1CO ZINC001358026001 891958389 /nfs/dbraw/zinc/95/83/89/891958389.db2.gz CCMHSLSLMRYHGO-GFCCVEGCSA-N 0 1 279.296 -0.070 20 5 CBBDMN CCc1[nH]nc(C(=O)N2[C@H](CO)CC[C@H]2CO)c1[N+](=O)[O-] ZINC001452463188 913988200 /nfs/dbraw/zinc/98/82/00/913988200.db2.gz VFWYNCNCFZQSFM-YUMQZZPRSA-N 0 1 298.299 -0.162 20 5 CBBDMN CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001455165550 914303839 /nfs/dbraw/zinc/30/38/39/914303839.db2.gz HGNCQLQXNJRJKO-IZLXSQMJSA-N 0 1 288.285 -0.377 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)c1cnc[nH]1 ZINC001455749879 914404346 /nfs/dbraw/zinc/40/43/46/914404346.db2.gz SCHBXLUPELBOQX-VIFPVBQESA-N 0 1 294.271 -0.327 20 5 CBBDMN C[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001455784343 914408504 /nfs/dbraw/zinc/40/85/04/914408504.db2.gz YYIDYYBPXPIIMD-UHFFFAOYSA-N 0 1 283.284 -0.046 20 5 CBBDMN CN(C)CC(=O)N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458087239 914625003 /nfs/dbraw/zinc/62/50/03/914625003.db2.gz SLBHYUQKTPRFGL-UHFFFAOYSA-N 0 1 296.331 -0.462 20 5 CBBDMN Cn1cc(CNC2(CO)CCOCC2)c([N+](=O)[O-])n1 ZINC001459422465 914728054 /nfs/dbraw/zinc/72/80/54/914728054.db2.gz AUIXKYPCIFQJIA-UHFFFAOYSA-N 0 1 270.289 -0.041 20 5 CBBDMN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2nn[nH]n2)n1 ZINC001443331893 912182723 /nfs/dbraw/zinc/18/27/23/912182723.db2.gz DVQACXGRGBNQQE-UHFFFAOYSA-N 0 1 263.217 -0.259 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)NCc2nnc[nH]2)n1 ZINC001464500731 914984586 /nfs/dbraw/zinc/98/45/86/914984586.db2.gz JZRSWJYKDKOBEG-UHFFFAOYSA-N 0 1 265.233 -0.141 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2nc[nH]n2)n1 ZINC001465130880 915039609 /nfs/dbraw/zinc/03/96/09/915039609.db2.gz ZRBLSBDPRDXMKP-UHFFFAOYSA-N 0 1 279.260 -0.098 20 5 CBBDMN COCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC001468695548 915321831 /nfs/dbraw/zinc/32/18/31/915321831.db2.gz WLUUQCXWCNDZLE-BWZBUEFSSA-N 0 1 260.246 -0.654 20 5 CBBDMN O=C(NCCn1cnccc1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001469327692 915397984 /nfs/dbraw/zinc/39/79/84/915397984.db2.gz HSRNWQNVUFBVFW-UHFFFAOYSA-N 0 1 278.228 -0.695 20 5 CBBDMN CNC(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001469302230 915399020 /nfs/dbraw/zinc/39/90/20/915399020.db2.gz BDZFXTBIYZKYBX-UHFFFAOYSA-N 0 1 282.256 -0.041 20 5 CBBDMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840886 915647097 /nfs/dbraw/zinc/64/70/97/915647097.db2.gz KSJLKKYAMLQOCF-HTQZYQBOSA-N 0 1 280.288 -0.355 20 5 CBBDMN C[C@H]1CN2CCN1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840893 915647357 /nfs/dbraw/zinc/64/73/57/915647357.db2.gz KSJLKKYAMLQOCF-YUMQZZPRSA-N 0 1 280.288 -0.355 20 5 CBBDMN C[C@H]1CN2CCN1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840888 915648997 /nfs/dbraw/zinc/64/89/97/915648997.db2.gz KSJLKKYAMLQOCF-JGVFFNPUSA-N 0 1 280.288 -0.355 20 5 CBBDMN Cc1cc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001480862950 916586541 /nfs/dbraw/zinc/58/65/41/916586541.db2.gz JBSZAJQEUUNELH-VXGBXAGGSA-N 0 1 295.343 -0.058 20 5 CBBDMN O=C(NCC1(NCc2nncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001483732095 917665420 /nfs/dbraw/zinc/66/54/20/917665420.db2.gz CKUHOTGURAHHOK-HTQZYQBOSA-N 0 1 297.340 -0.058 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncnn1C ZINC001490192764 918866391 /nfs/dbraw/zinc/86/63/91/918866391.db2.gz DZDMDUBZPNUAQG-NXEZZACHSA-N 0 1 296.331 -0.582 20 5 CBBDMN COCCCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491138061 919048912 /nfs/dbraw/zinc/04/89/12/919048912.db2.gz ZHFPELDKWQZBPF-RKDXNWHRSA-N 0 1 273.289 -0.689 20 5 CBBDMN Cc1n[nH]c(C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491283240 919104740 /nfs/dbraw/zinc/10/47/40/919104740.db2.gz OKROQPTWWADMFL-RKDXNWHRSA-N 0 1 295.299 -0.462 20 5 CBBDMN COCCC(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492349031 919400516 /nfs/dbraw/zinc/40/05/16/919400516.db2.gz JSDCAQMFHIJSIR-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN CC(C)NC(=O)CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001494550716 919731600 /nfs/dbraw/zinc/73/16/00/919731600.db2.gz BDPTWHLYRAAZDX-GHMZBOCLSA-N 0 1 298.343 -0.776 20 5 CBBDMN CN(CCNC(=O)c1ncc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496001374 920000375 /nfs/dbraw/zinc/00/03/75/920000375.db2.gz RDNOCHJBEAFDLS-HTQZYQBOSA-N 0 1 281.272 -0.737 20 5 CBBDMN CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccn[nH]1 ZINC001528111708 922806929 /nfs/dbraw/zinc/80/69/29/922806929.db2.gz VEZDAQUCCQBLCM-NXEZZACHSA-N 0 1 295.299 -0.808 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cc[nH]n1 ZINC001528111708 922806943 /nfs/dbraw/zinc/80/69/43/922806943.db2.gz VEZDAQUCCQBLCM-NXEZZACHSA-N 0 1 295.299 -0.808 20 5 CBBDMN Cn1ncc2c1nc(NC(=O)[C@@H]1CC1[N+](=O)[O-])[nH]c2=O ZINC001530398254 922930350 /nfs/dbraw/zinc/93/03/50/922930350.db2.gz OYYZIFRXUWALBG-INEUFUBQSA-N 0 1 278.228 -0.327 20 5 CBBDMN CN(CC1(O)CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001556206183 924045508 /nfs/dbraw/zinc/04/55/08/924045508.db2.gz KAQJMDPGDDYALY-RKDXNWHRSA-N 0 1 258.274 -0.349 20 5 CBBDMN O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1n[nH]cc1[N+](=O)[O-] ZINC001558264279 924159862 /nfs/dbraw/zinc/15/98/62/924159862.db2.gz PXYBZDXRJQJELX-BHNWBGBOSA-N 0 1 282.256 -0.148 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(CO)CO ZINC000090552790 180002261 /nfs/dbraw/zinc/00/22/61/180002261.db2.gz AWLRJMYPCHSPGI-UHFFFAOYSA-N 0 1 299.327 -0.321 20 5 CBBDMN Cc1nnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)[nH]1 ZINC000112703229 186520825 /nfs/dbraw/zinc/52/08/25/186520825.db2.gz LZUZUFJUBRBVDL-UHFFFAOYSA-N 0 1 251.206 -0.143 20 5 CBBDMN Cc1n[nH]c(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000112703229 186520827 /nfs/dbraw/zinc/52/08/27/186520827.db2.gz LZUZUFJUBRBVDL-UHFFFAOYSA-N 0 1 251.206 -0.143 20 5 CBBDMN O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000044477672 351445318 /nfs/dbraw/zinc/44/53/18/351445318.db2.gz BWBAGQZLXMQLQF-UTLUCORTSA-N 0 1 267.285 -0.079 20 5 CBBDMN NCC(=O)NCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943228 351523992 /nfs/dbraw/zinc/52/39/92/351523992.db2.gz GCJQPXXRAZSKER-UHFFFAOYSA-N 0 1 266.257 -0.714 20 5 CBBDMN CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000076947892 351679099 /nfs/dbraw/zinc/67/90/99/351679099.db2.gz ADBGGZRJQWZJGT-MNOVXSKESA-N 0 1 298.343 -0.726 20 5 CBBDMN CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646091 352049212 /nfs/dbraw/zinc/04/92/12/352049212.db2.gz SGSIOASESQLBHR-GFCCVEGCSA-N 0 1 283.332 -0.210 20 5 CBBDMN NC(=O)C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000183845640 352109736 /nfs/dbraw/zinc/10/97/36/352109736.db2.gz VRJGEKQYLJBPHL-VIFPVBQESA-N 0 1 295.295 -0.058 20 5 CBBDMN CC[C@@H](CO)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000266194093 352447551 /nfs/dbraw/zinc/44/75/51/352447551.db2.gz HHTRJDCWBXAQQS-VIFPVBQESA-N 0 1 296.331 -0.140 20 5 CBBDMN COC(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000274729567 352544300 /nfs/dbraw/zinc/54/43/00/352544300.db2.gz CLIRSRPYLUEOIM-LDWIPMOCSA-N 0 1 298.251 -0.047 20 5 CBBDMN COC(=O)C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270605636 352496702 /nfs/dbraw/zinc/49/67/02/352496702.db2.gz MVDLPIHQDVKVEC-YFKPBYRVSA-N 0 1 256.218 -0.001 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCNC(=O)C1 ZINC000272620559 352522078 /nfs/dbraw/zinc/52/20/78/352522078.db2.gz UGLHZEUQJFEIKI-UHFFFAOYSA-N 0 1 265.225 -0.128 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000286640341 352647772 /nfs/dbraw/zinc/64/77/72/352647772.db2.gz BVDGXMHVXYQBSK-HTQZYQBOSA-N 0 1 284.272 -0.288 20 5 CBBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000295365100 352705563 /nfs/dbraw/zinc/70/55/63/352705563.db2.gz OJKPYPJJIOYOHH-UHFFFAOYSA-N 0 1 265.233 -0.072 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1[N+](=O)[O-] ZINC000337155572 353077515 /nfs/dbraw/zinc/07/75/15/353077515.db2.gz UVJSDUTUASXKFH-HTQZYQBOSA-N 0 1 293.283 -0.023 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1 ZINC000155010795 188175800 /nfs/dbraw/zinc/17/58/00/188175800.db2.gz YIIYDRNPVXPTFP-QMMMGPOBSA-N 0 1 253.262 -0.388 20 5 CBBDMN CCNC(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343095852 353252314 /nfs/dbraw/zinc/25/23/14/353252314.db2.gz LACNXXYISGLGSM-YFKPBYRVSA-N 0 1 255.234 -0.428 20 5 CBBDMN CN1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000343333139 353269154 /nfs/dbraw/zinc/26/91/54/353269154.db2.gz GHIXGBRTFLXJJA-YFKPBYRVSA-N 0 1 253.218 -0.722 20 5 CBBDMN CN(C)C1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000158374851 188372609 /nfs/dbraw/zinc/37/26/09/188372609.db2.gz QAXHHVJPROQZRS-UHFFFAOYSA-N 0 1 267.289 -0.046 20 5 CBBDMN CN(C)C(=O)NCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000348917359 353440789 /nfs/dbraw/zinc/44/07/89/353440789.db2.gz HMKDYJALGXFPKA-UHFFFAOYSA-N 0 1 284.320 -0.006 20 5 CBBDMN O=C(NCc1nnnn1CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000354262809 353552048 /nfs/dbraw/zinc/55/20/48/353552048.db2.gz CJTFFOOYUQYLTE-UHFFFAOYSA-N 0 1 292.259 -0.356 20 5 CBBDMN C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000358427196 353643700 /nfs/dbraw/zinc/64/37/00/353643700.db2.gz VJFFTIBGWHCPTQ-LBPRGKRZSA-N 0 1 296.283 -0.508 20 5 CBBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000358427196 353643705 /nfs/dbraw/zinc/64/37/05/353643705.db2.gz VJFFTIBGWHCPTQ-LBPRGKRZSA-N 0 1 296.283 -0.508 20 5 CBBDMN C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000365330396 353673924 /nfs/dbraw/zinc/67/39/24/353673924.db2.gz LDZWIWWRNABQNF-HRDYMLBCSA-N 0 1 276.314 -0.313 20 5 CBBDMN O=C(N[C@@H]1CCCn2ncnc21)[C@H]1CC1[N+](=O)[O-] ZINC000365917359 353674473 /nfs/dbraw/zinc/67/44/73/353674473.db2.gz BXLNWTUDSYBQCQ-XLPZGREQSA-N 0 1 251.246 -0.106 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366842949 353678295 /nfs/dbraw/zinc/67/82/95/353678295.db2.gz DJHDKYYFDSHWSZ-LURQLKTLSA-N 0 1 269.257 -0.392 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)n1 ZINC000370925300 353693808 /nfs/dbraw/zinc/69/38/08/353693808.db2.gz VMDZTEVQYIZTKI-HRDYMLBCSA-N 0 1 293.283 -0.693 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000372561907 353719342 /nfs/dbraw/zinc/71/93/42/353719342.db2.gz ABHRPXFOCNNACR-IWSPIJDZSA-N 0 1 255.274 -0.221 20 5 CBBDMN CCc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000373427917 353731506 /nfs/dbraw/zinc/73/15/06/353731506.db2.gz RYHUACGFVLVLLK-JQCXWYLXSA-N 0 1 296.283 -0.069 20 5 CBBDMN Cn1ncnc1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000375220119 353756280 /nfs/dbraw/zinc/75/62/80/353756280.db2.gz UPIGTKGEZKZAPL-HLTSFMKQSA-N 0 1 281.272 -0.620 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000375338579 353758882 /nfs/dbraw/zinc/75/88/82/353758882.db2.gz YOKBUWHVEKEXST-PKIKSRDPSA-N 0 1 267.285 -0.175 20 5 CBBDMN CC(C)(O)c1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000375775863 353767418 /nfs/dbraw/zinc/76/74/18/353767418.db2.gz FTJSGFAZYHKOJS-BDAKNGLRSA-N 0 1 295.299 -0.446 20 5 CBBDMN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000378053938 353780434 /nfs/dbraw/zinc/78/04/34/353780434.db2.gz NPPAJBKTIYCUKG-WRWGMCAJSA-N 0 1 283.328 -0.027 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000374146287 353742430 /nfs/dbraw/zinc/74/24/30/353742430.db2.gz RPSGQQOLHGGQHW-HLTSFMKQSA-N 0 1 281.272 -0.322 20 5 CBBDMN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000374146287 353742432 /nfs/dbraw/zinc/74/24/32/353742432.db2.gz RPSGQQOLHGGQHW-HLTSFMKQSA-N 0 1 281.272 -0.322 20 5 CBBDMN CN1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000408063581 353841474 /nfs/dbraw/zinc/84/14/74/353841474.db2.gz VWWVUAUJQPKGHY-UHFFFAOYSA-N 0 1 268.277 -0.650 20 5 CBBDMN CN1CCO[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]21 ZINC000377962113 283007655 /nfs/dbraw/zinc/00/76/55/283007655.db2.gz CNXOEUFAWXDNMJ-XFWSIPNHSA-N 0 1 255.274 -0.807 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H](C)CC[NH3+])c([N+](=O)[O-])n1 ZINC000447255338 354295424 /nfs/dbraw/zinc/29/54/24/354295424.db2.gz JIFFSMXITUFWJN-SSDOTTSWSA-N 0 1 291.333 -0.173 20 5 CBBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000538225814 354613322 /nfs/dbraw/zinc/61/33/22/354613322.db2.gz XIATVRHFJUCARL-ZCFIWIBFSA-N 0 1 292.259 -0.149 20 5 CBBDMN O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000565891023 354747357 /nfs/dbraw/zinc/74/73/57/354747357.db2.gz GLFGGWIEOPSWSX-QMMMGPOBSA-N 0 1 282.256 -0.586 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]C2C[NH2+]C2)c([N+](=O)[O-])n1 ZINC000572761155 354896761 /nfs/dbraw/zinc/89/67/61/354896761.db2.gz ZPISCYZUTDCSOJ-UHFFFAOYSA-N 0 1 275.290 -0.939 20 5 CBBDMN O=C(NCCCc1nc[nH]n1)c1cc([N+](=O)[O-])n[nH]1 ZINC000572969877 354901961 /nfs/dbraw/zinc/90/19/61/354901961.db2.gz UJHODHNQGFGLJN-UHFFFAOYSA-N 0 1 265.233 -0.201 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](CO)[C@H](O)C2)n1 ZINC000578466855 354947118 /nfs/dbraw/zinc/94/71/18/354947118.db2.gz UTZNJPLECJCDRB-NXEZZACHSA-N 0 1 270.289 -0.534 20 5 CBBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592549919 355161987 /nfs/dbraw/zinc/16/19/87/355161987.db2.gz PTVKUHSMENWCLY-JTQLQIEISA-N 0 1 296.283 -0.100 20 5 CBBDMN COC(=O)[C@H]1C[C@@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195148 355139384 /nfs/dbraw/zinc/13/93/84/355139384.db2.gz JKKBIOBMKWRSQW-GXSJLCMTSA-N 0 1 298.299 -0.353 20 5 CBBDMN C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000592306048 355147147 /nfs/dbraw/zinc/14/71/47/355147147.db2.gz AETYQTSJRNNJKM-XVKPBYJWSA-N 0 1 296.283 -0.116 20 5 CBBDMN COC[C@@H]1C[C@@H](O)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000593810018 355220631 /nfs/dbraw/zinc/22/06/31/355220631.db2.gz AKVMQTGLTCXFIT-JGVFFNPUSA-N 0 1 284.272 -0.152 20 5 CBBDMN NC(=O)[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000593813487 355221281 /nfs/dbraw/zinc/22/12/81/355221281.db2.gz GEBDRVMFLSOBJX-SYDPRGILSA-N 0 1 253.218 -0.688 20 5 CBBDMN CC(C)(C)n1nnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000594398243 355246277 /nfs/dbraw/zinc/24/62/77/355246277.db2.gz PWMLSTCXIUOECM-UHFFFAOYSA-N 0 1 294.275 -0.011 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@@H](C)C[NH2+]C)c([N+](=O)[O-])n1 ZINC000595119073 355272161 /nfs/dbraw/zinc/27/21/61/355272161.db2.gz LGAGCLMPDGRAQG-ZETCQYMHSA-N 0 1 291.333 -0.303 20 5 CBBDMN O=C(NCc1ccccc1[N+](=O)[O-])C1(O)CNC1 ZINC000595924393 355319028 /nfs/dbraw/zinc/31/90/28/355319028.db2.gz DKHCRKNYZDKTQY-UHFFFAOYSA-N 0 1 251.242 -0.455 20 5 CBBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(O)CNC1 ZINC000595931200 355319893 /nfs/dbraw/zinc/31/98/93/355319893.db2.gz GXQYXOFCGKHUIQ-UHFFFAOYSA-N 0 1 281.268 -0.446 20 5 CBBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1(O)CNC1 ZINC000595937124 355321442 /nfs/dbraw/zinc/32/14/42/355321442.db2.gz RTAKOFOBUCZSMB-UHFFFAOYSA-N 0 1 281.268 -0.576 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598163070 355433636 /nfs/dbraw/zinc/43/36/36/355433636.db2.gz MYBFQPZCFGBNRK-UHFFFAOYSA-N 0 1 253.262 -0.049 20 5 CBBDMN CO[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599511654 355495153 /nfs/dbraw/zinc/49/51/53/355495153.db2.gz PEPOJTKGTSCOKG-LJGSYFOKSA-N 0 1 290.301 -0.216 20 5 CBBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000599531152 355496375 /nfs/dbraw/zinc/49/63/75/355496375.db2.gz KMLDZBBXBYPQCP-DRZSPHRISA-N 0 1 298.295 -0.628 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)n1 ZINC000599095982 355463425 /nfs/dbraw/zinc/46/34/25/355463425.db2.gz JWMMTHAJJPEYLC-ZETCQYMHSA-N 0 1 289.317 -0.641 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCC2)n1 ZINC000599104926 355464298 /nfs/dbraw/zinc/46/42/98/355464298.db2.gz WATNASZTQVWQFQ-UHFFFAOYSA-N 0 1 289.317 -0.512 20 5 CBBDMN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106923 355464480 /nfs/dbraw/zinc/46/44/80/355464480.db2.gz ISMFZSZIRAEGOD-ZCFIWIBFSA-N 0 1 277.306 -0.656 20 5 CBBDMN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599109325 355464518 /nfs/dbraw/zinc/46/45/18/355464518.db2.gz TYMPCDCUIDOHTE-SSDOTTSWSA-N 0 1 291.333 -0.395 20 5 CBBDMN O=[N+]([O-])c1cnccc1NCCN1CC[C@@H](O)C1 ZINC000599175958 355469833 /nfs/dbraw/zinc/46/98/33/355469833.db2.gz LAJZDKMEFXCUAM-SECBINFHSA-N 0 1 252.274 -0.110 20 5 CBBDMN O=[N+]([O-])c1cnccc1NCCN1CC[C@H](O)C1 ZINC000599199443 355472458 /nfs/dbraw/zinc/47/24/58/355472458.db2.gz LAJZDKMEFXCUAM-VIFPVBQESA-N 0 1 252.274 -0.110 20 5 CBBDMN COC[C@@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599221973 355473262 /nfs/dbraw/zinc/47/32/62/355473262.db2.gz SFPUBVRLFDQVMP-ZETCQYMHSA-N 0 1 292.317 -0.111 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C)COC2)n1 ZINC000599238213 355473384 /nfs/dbraw/zinc/47/33/84/355473384.db2.gz XDUYFLDBWSKVNY-UHFFFAOYSA-N 0 1 290.301 -0.357 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)CO)n1 ZINC000599264325 355474815 /nfs/dbraw/zinc/47/48/15/355474815.db2.gz AUXSRDOKSHXZEQ-UHFFFAOYSA-N 0 1 292.317 -0.375 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCO)n1 ZINC000599291368 355476961 /nfs/dbraw/zinc/47/69/61/355476961.db2.gz MEPALIVXQBVNPA-UHFFFAOYSA-N 0 1 278.290 -0.621 20 5 CBBDMN CN1CCOC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600417864 355543303 /nfs/dbraw/zinc/54/33/03/355543303.db2.gz BZQFYTUNUFDAJY-SSDOTTSWSA-N 0 1 269.261 -0.622 20 5 CBBDMN Nc1c(C(=O)NCCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600530264 355556700 /nfs/dbraw/zinc/55/67/00/355556700.db2.gz BTZZFLKRGYHYIH-SECBINFHSA-N 0 1 294.311 -0.027 20 5 CBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1COCCN1 ZINC000599922035 355518454 /nfs/dbraw/zinc/51/84/54/355518454.db2.gz XPUWMVJJHRJKJP-SECBINFHSA-N 0 1 298.303 -0.921 20 5 CBBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCO1 ZINC000600060855 355525008 /nfs/dbraw/zinc/52/50/08/355525008.db2.gz VFMZLCFAZLUFHC-UHFFFAOYSA-N 0 1 269.217 -0.788 20 5 CBBDMN CCCc1n[nH]c(C(=O)NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000609989141 355774283 /nfs/dbraw/zinc/77/42/83/355774283.db2.gz DQVDRLFUXPGGCE-UHFFFAOYSA-N 0 1 280.248 -0.287 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3cn[nH]c3C2)c1 ZINC000611008717 355792628 /nfs/dbraw/zinc/79/26/28/355792628.db2.gz HVDPGCFPDHQASA-LLVKDONJSA-N 0 1 292.299 -0.066 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](O)C[C@H](O)C1 ZINC000611185342 355796625 /nfs/dbraw/zinc/79/66/25/355796625.db2.gz ZJCDYFRHSDJMMS-PHIMTYICSA-N 0 1 283.284 -0.816 20 5 CBBDMN NS(=O)(=O)c1cccc(NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000612660672 355844487 /nfs/dbraw/zinc/84/44/87/355844487.db2.gz LMRPHZABXIPJJD-UHFFFAOYSA-N 0 1 298.284 -0.028 20 5 CBBDMN CN1C[C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000373290835 283210492 /nfs/dbraw/zinc/21/04/92/283210492.db2.gz JFCNIZQLINWNSG-HRDYMLBCSA-N 0 1 268.273 -0.770 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000342469814 216361805 /nfs/dbraw/zinc/36/18/05/216361805.db2.gz QUPHYVJWVWKJOG-RNFRBKRXSA-N 0 1 270.245 -0.542 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342469794 216362008 /nfs/dbraw/zinc/36/20/08/216362008.db2.gz QUPHYVJWVWKJOG-BQBZGAKWSA-N 0 1 270.245 -0.542 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C[C@H](C)O)[C@H](C)CO)c1[N+](=O)[O-] ZINC000275963800 193174702 /nfs/dbraw/zinc/17/47/02/193174702.db2.gz HTCZLEXGIKBJGR-RQJHMYQMSA-N 0 1 286.288 -0.170 20 5 CBBDMN CN1CCN(C)[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000330693414 203124164 /nfs/dbraw/zinc/12/41/64/203124164.db2.gz HWENGLJRSZTPNZ-SNVBAGLBSA-N 0 1 296.331 -0.847 20 5 CBBDMN O=C(NC[C@@]1(O)CCSC1)c1n[nH]cc1[N+](=O)[O-] ZINC000344000142 217010227 /nfs/dbraw/zinc/01/02/27/217010227.db2.gz FNOOXOZJKAZXRT-VIFPVBQESA-N 0 1 272.286 -0.084 20 5 CBBDMN CNC(=O)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344443075 217192679 /nfs/dbraw/zinc/19/26/79/217192679.db2.gz AHDGRBDIRJLALB-UHFFFAOYSA-N 0 1 269.261 -0.180 20 5 CBBDMN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nnc[nH]1 ZINC000355795566 373162453 /nfs/dbraw/zinc/16/24/53/373162453.db2.gz SLFIRMCPEMBXMY-ZETCQYMHSA-N 0 1 292.255 -0.248 20 5 CBBDMN COC(=O)[C@H](CF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360461929 373192561 /nfs/dbraw/zinc/19/25/61/373192561.db2.gz MHJORMKDRUWDRI-BYPYZUCNSA-N 0 1 260.181 -0.441 20 5 CBBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1nnc[nH]1 ZINC000360686694 373226982 /nfs/dbraw/zinc/22/69/82/373226982.db2.gz ZKGFTYHCLGDRQG-RXMQYKEDSA-N 0 1 265.233 -0.063 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000373563098 373560294 /nfs/dbraw/zinc/56/02/94/373560294.db2.gz TTWQCUCQWFPLNQ-BZNPZCIMSA-N 0 1 256.258 -0.081 20 5 CBBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)NCCc1nc[nH]n1 ZINC000531909327 374152891 /nfs/dbraw/zinc/15/28/91/374152891.db2.gz YNPGFXAIFPZNDN-UHFFFAOYSA-N 0 1 298.284 -0.371 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000561784852 374302571 /nfs/dbraw/zinc/30/25/71/374302571.db2.gz NAQOLDHVJGWQRK-JQWIXIFHSA-N 0 1 297.311 -0.568 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCc3n[nH]nc3C2)c1[N+](=O)[O-] ZINC000346110445 217804614 /nfs/dbraw/zinc/80/46/14/217804614.db2.gz RJKFVOZOMOXCGT-UHFFFAOYSA-N 0 1 277.244 -0.057 20 5 CBBDMN NCC(=O)NCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000262471532 190055823 /nfs/dbraw/zinc/05/58/23/190055823.db2.gz ZBXPVNBSOKASJO-UHFFFAOYSA-N 0 1 295.299 -0.802 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000356926265 248301128 /nfs/dbraw/zinc/30/11/28/248301128.db2.gz SQLGKBIEJOVXFQ-UWVGGRQHSA-N 0 1 294.311 -0.035 20 5 CBBDMN CCOC(=O)[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356940596 248302401 /nfs/dbraw/zinc/30/24/01/248302401.db2.gz WNXXAVLAHAPCIQ-JTQLQIEISA-N 0 1 298.251 -0.046 20 5 CBBDMN CN1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)N1 ZINC000357460149 248364892 /nfs/dbraw/zinc/36/48/92/248364892.db2.gz QVKFKOCLVKPDGL-SECBINFHSA-N 0 1 280.240 -0.625 20 5 CBBDMN O=C(N[C@H]1CNC(=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357464261 248366338 /nfs/dbraw/zinc/36/63/38/248366338.db2.gz HNHYPLAYKCLZAL-SSDOTTSWSA-N 0 1 265.225 -0.081 20 5 CBBDMN O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CC1[N+](=O)[O-] ZINC000364351631 248704546 /nfs/dbraw/zinc/70/45/46/248704546.db2.gz BCWKRMMTAYMWMN-VGMNWLOBSA-N 0 1 250.258 -0.021 20 5 CBBDMN CN(Cc1nnc[nH]1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000265792697 190207646 /nfs/dbraw/zinc/20/76/46/190207646.db2.gz OIYYNQNLQVHXMV-UHFFFAOYSA-N 0 1 250.222 -0.279 20 5 CBBDMN CO[C@@H]1C[C@H](C(=O)[O-])[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000574697358 335040561 /nfs/dbraw/zinc/04/05/61/335040561.db2.gz RACPAJKPNWTRFX-NXEZZACHSA-N 0 1 284.272 -0.035 20 5 CBBDMN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346343199 217877678 /nfs/dbraw/zinc/87/76/78/217877678.db2.gz FLEAEYCWBSXPRW-RQJHMYQMSA-N 0 1 281.272 -0.038 20 5 CBBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC(=O)CN ZINC000347709252 218330485 /nfs/dbraw/zinc/33/04/85/218330485.db2.gz ZPGMJGLWPJUNCM-UHFFFAOYSA-N 0 1 296.283 -0.706 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)N1 ZINC000153312897 207382523 /nfs/dbraw/zinc/38/25/23/207382523.db2.gz GWEJDZGKDBTGEH-HTQZYQBOSA-N 0 1 268.277 -0.605 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN(C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000428570659 208093643 /nfs/dbraw/zinc/09/36/43/208093643.db2.gz IGISVSPVJGPOTD-SSDOTTSWSA-N 0 1 281.272 -0.071 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1 ZINC000429318697 208119336 /nfs/dbraw/zinc/11/93/36/208119336.db2.gz RZJNNSWJGIJHQP-SSDOTTSWSA-N 0 1 254.250 -0.993 20 5 CBBDMN C[C@H](O)CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000275381085 135105607 /nfs/dbraw/zinc/10/56/07/135105607.db2.gz PDPGNIWGUVTANI-BDAKNGLRSA-N 0 1 296.331 -0.142 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O ZINC000285399481 196272075 /nfs/dbraw/zinc/27/20/75/196272075.db2.gz AVLQXIOHSZITIR-NXEZZACHSA-N 0 1 256.262 -0.517 20 5 CBBDMN COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285557613 196325720 /nfs/dbraw/zinc/32/57/20/196325720.db2.gz VBYOUGKCJRHGPZ-QMMMGPOBSA-N 0 1 283.288 -0.232 20 5 CBBDMN CC(=O)NCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000575178617 335076025 /nfs/dbraw/zinc/07/60/25/335076025.db2.gz KZKLTZNCTLSABC-UHFFFAOYSA-N 0 1 282.300 -0.176 20 5 CBBDMN O=C(Nc1nn[nH]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000039438288 419418102 /nfs/dbraw/zinc/41/81/02/419418102.db2.gz WDENDHPXVZFMMC-UHFFFAOYSA-N 0 1 278.184 0.089 20 5 CBBDMN CCC[C@H]1CNCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000359218773 419948683 /nfs/dbraw/zinc/94/86/83/419948683.db2.gz PBKVPARJDZFXRN-VIFPVBQESA-N 0 1 282.304 -0.213 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000365809163 420067808 /nfs/dbraw/zinc/06/78/08/420067808.db2.gz XFOWCKBSMZHQGJ-BZNPZCIMSA-N 0 1 253.258 -0.754 20 5 CBBDMN CCOC(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000359957035 419998397 /nfs/dbraw/zinc/99/83/97/419998397.db2.gz NAHCOWCCAPSJOZ-QWRGUYRKSA-N 0 1 299.327 -0.251 20 5 CBBDMN O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CC1[N+](=O)[O-] ZINC000364351629 420038213 /nfs/dbraw/zinc/03/82/13/420038213.db2.gz BCWKRMMTAYMWMN-HRDYMLBCSA-N 0 1 250.258 -0.021 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]12CCOC2=O ZINC000364449548 420039354 /nfs/dbraw/zinc/03/93/54/420039354.db2.gz VESWVXVPZKFKQD-VHSKPIJISA-N 0 1 254.242 -0.040 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC000364492183 420039811 /nfs/dbraw/zinc/03/98/11/420039811.db2.gz FSVZYNMLCGEUAQ-NXEZZACHSA-N 0 1 267.285 -0.221 20 5 CBBDMN NC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000365142477 420053754 /nfs/dbraw/zinc/05/37/54/420053754.db2.gz RUDKNITVCYFARU-SFYZADRCSA-N 0 1 256.262 -0.735 20 5 CBBDMN CCOC(=O)C1(F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000367272435 420101004 /nfs/dbraw/zinc/10/10/04/420101004.db2.gz UACHHEWEGYZELB-RNFRBKRXSA-N 0 1 260.221 -0.235 20 5 CBBDMN Cc1nc([C@@H]2COCCN2C(=O)[C@H]2CC2[N+](=O)[O-])no1 ZINC000369433667 420161014 /nfs/dbraw/zinc/16/10/14/420161014.db2.gz BVAGVBOTEDQHRQ-YIZRAAEISA-N 0 1 282.256 -0.057 20 5 CBBDMN CCOC(=O)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496785515 420327707 /nfs/dbraw/zinc/32/77/07/420327707.db2.gz NKPUOYTVGFBNAQ-DJLDLDEBSA-N 0 1 271.273 -0.001 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@H]1[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000378047630 230309568 /nfs/dbraw/zinc/30/95/68/230309568.db2.gz JNTURNGGRMIKPT-KZFLBEFCSA-N 0 1 297.311 -0.406 20 5 CBBDMN COC(=O)c1cc(C)nc(NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000587975197 420477169 /nfs/dbraw/zinc/47/71/69/420477169.db2.gz KYTUJVSUDMGFMO-UHFFFAOYSA-N 0 1 293.243 0.210 20 5 CBBDMN Cn1c(C(=O)Nc2n[nH]c3ncnn23)ccc1[N+](=O)[O-] ZINC000590379872 420477916 /nfs/dbraw/zinc/47/79/16/420477916.db2.gz STKSYTNHHJBMGC-UHFFFAOYSA-N 0 1 276.216 -0.049 20 5 CBBDMN CN(CC1CN(C)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000596454957 420488312 /nfs/dbraw/zinc/48/83/12/420488312.db2.gz WZRRULHRJGJAOT-UHFFFAOYSA-N 0 1 252.278 -0.035 20 5 CBBDMN NC(=O)[C@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519155863 265334358 /nfs/dbraw/zinc/33/43/58/265334358.db2.gz UFJWKHDZEMZKKX-VIFPVBQESA-N 0 1 296.283 -0.641 20 5 CBBDMN C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000193148403 269573496 /nfs/dbraw/zinc/57/34/96/269573496.db2.gz FYJFDNNAMWVLRI-UHFFFAOYSA-N 0 1 254.246 -0.013 20 5 CBBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000360724223 276774348 /nfs/dbraw/zinc/77/43/48/276774348.db2.gz ZPZGDNVHOYQOSC-UHFFFAOYSA-N 0 1 253.262 -0.286 20 5 CBBDMN Cn1ncnc1[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000375220123 303101232 /nfs/dbraw/zinc/10/12/32/303101232.db2.gz UPIGTKGEZKZAPL-YIZRAAEISA-N 0 1 281.272 -0.620 20 5 CBBDMN NC(=O)[C@]1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000355071937 534466202 /nfs/dbraw/zinc/46/62/02/534466202.db2.gz RJTBCQAGPWRWCH-LBPRGKRZSA-N 0 1 295.251 -0.637 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@]12CCOC2 ZINC000367010906 534602049 /nfs/dbraw/zinc/60/20/49/534602049.db2.gz OHKTZPWWIGWEKH-YWVKMMECSA-N 0 1 256.258 -0.331 20 5 CBBDMN CCOC(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138162514 582126248 /nfs/dbraw/zinc/12/62/48/582126248.db2.gz NNIHJBCDURREIJ-YFKPBYRVSA-N 0 1 256.218 -0.001 20 5 CBBDMN NC(=O)[C@@]1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473215 582386152 /nfs/dbraw/zinc/38/61/52/582386152.db2.gz IDTPJSZXMPDCNK-WCQYABFASA-N 0 1 295.295 -0.450 20 5 CBBDMN Cn1ncc(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000817952983 582496910 /nfs/dbraw/zinc/49/69/10/582496910.db2.gz VUZSCAVSICWEGN-UHFFFAOYSA-N 0 1 279.260 -0.191 20 5 CBBDMN C[N@H+](CC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818402479 582507482 /nfs/dbraw/zinc/50/74/82/582507482.db2.gz OGBALDVAKGMWJA-QMMMGPOBSA-N 0 1 258.234 -0.831 20 5 CBBDMN O=C([O-])[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819240064 582529582 /nfs/dbraw/zinc/52/95/82/582529582.db2.gz GWEMNWRLLBZVFZ-ZJUUUORDSA-N 0 1 284.272 -0.299 20 5 CBBDMN CN1C(=O)NCC12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000819756823 582540663 /nfs/dbraw/zinc/54/06/63/582540663.db2.gz OZTLQYGCAGIGTI-RKDXNWHRSA-N 0 1 282.300 -0.332 20 5 CBBDMN C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827443080 582816851 /nfs/dbraw/zinc/81/68/51/582816851.db2.gz YDRBSUDJFFMMPH-WPRPVWTQSA-N 0 1 286.288 -0.195 20 5 CBBDMN C[C@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827443078 582816855 /nfs/dbraw/zinc/81/68/55/582816855.db2.gz YDRBSUDJFFMMPH-SCZZXKLOSA-N 0 1 286.288 -0.195 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000832043247 583011115 /nfs/dbraw/zinc/01/11/15/583011115.db2.gz DDFADSAQOAXTHQ-ZYUZMQFOSA-N 0 1 288.325 -0.455 20 5 CBBDMN Cn1ccc(NC(=O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000834533674 583130303 /nfs/dbraw/zinc/13/03/03/583130303.db2.gz NNBGAQIZMMWWBU-RNFRBKRXSA-N 0 1 267.245 -0.860 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000839462616 583156342 /nfs/dbraw/zinc/15/63/42/583156342.db2.gz BUZNYTBSHOJURC-MXWKQRLJSA-N 0 1 297.311 -0.499 20 5 CBBDMN CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839604372 583156838 /nfs/dbraw/zinc/15/68/38/583156838.db2.gz MOXFLGQYKKCLHR-HTQZYQBOSA-N 0 1 279.318 -0.904 20 5 CBBDMN CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839646040 583157411 /nfs/dbraw/zinc/15/74/11/583157411.db2.gz HAFVGYFCKKVAHJ-HLTSFMKQSA-N 0 1 255.274 -0.365 20 5 CBBDMN CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839684344 583157609 /nfs/dbraw/zinc/15/76/09/583157609.db2.gz MZGCBJOQBQPHJG-DJLDLDEBSA-N 0 1 291.329 -0.808 20 5 CBBDMN CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683247 583157615 /nfs/dbraw/zinc/15/76/15/583157615.db2.gz DWSANYFLCMECER-DJLDLDEBSA-N 0 1 278.330 -0.067 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)CS(C)(=O)=O ZINC000839680064 583157839 /nfs/dbraw/zinc/15/78/39/583157839.db2.gz CVWWOGJMQWWCIF-IWSPIJDZSA-N 0 1 278.330 -0.067 20 5 CBBDMN COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839695646 583158098 /nfs/dbraw/zinc/15/80/98/583158098.db2.gz JRIXRTACSSZLDT-HBNTYKKESA-N 0 1 299.327 -0.253 20 5 CBBDMN CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839697074 583158165 /nfs/dbraw/zinc/15/81/65/583158165.db2.gz PLRAAJWPZOJNEW-RKDXNWHRSA-N 0 1 284.316 -0.940 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000839700699 583158174 /nfs/dbraw/zinc/15/81/74/583158174.db2.gz GXEZWMHLJOAXAS-DOLQZWNJSA-N 0 1 267.285 -0.079 20 5 CBBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000839700740 583158192 /nfs/dbraw/zinc/15/81/92/583158192.db2.gz HZRBHCRHHCOFGL-HTQZYQBOSA-N 0 1 276.314 -0.313 20 5 CBBDMN C[C@@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701653 583158206 /nfs/dbraw/zinc/15/82/06/583158206.db2.gz YONXEMAVWRAOQB-SGIHWFKDSA-N 0 1 258.274 -0.038 20 5 CBBDMN CC(C)COC[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696590 583158220 /nfs/dbraw/zinc/15/82/20/583158220.db2.gz NYQHVNFNRRSODC-IVZWLZJFSA-N 0 1 260.290 -0.199 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000839710095 583158545 /nfs/dbraw/zinc/15/85/45/583158545.db2.gz VDHAICXCPLOMBS-KYXWUPHJSA-N 0 1 257.290 -0.513 20 5 CBBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCO1 ZINC000839747822 583159341 /nfs/dbraw/zinc/15/93/41/583159341.db2.gz FJXZZAGDLDTYBG-ZYUZMQFOSA-N 0 1 258.274 -0.038 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CC(F)(F)F)C(=O)C1 ZINC000839762955 583159538 /nfs/dbraw/zinc/15/95/38/583159538.db2.gz WJLWILNGSZMTLR-RNFRBKRXSA-N 0 1 295.217 -0.115 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000839777174 583159544 /nfs/dbraw/zinc/15/95/44/583159544.db2.gz RGTKXHBNZJHSHS-IWSPIJDZSA-N 0 1 291.329 -0.856 20 5 CBBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000839773975 583159687 /nfs/dbraw/zinc/15/96/87/583159687.db2.gz KLSQWFGOBAGHDB-RBXMUDONSA-N 0 1 276.314 -0.314 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](O)(C(F)F)C1 ZINC000839782721 583159928 /nfs/dbraw/zinc/15/99/28/583159928.db2.gz LMNDFEDHEFOWFG-HCVRKRLWSA-N 0 1 250.201 -0.120 20 5 CBBDMN COC[C@@](C)(CC(=O)OC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840380188 583164585 /nfs/dbraw/zinc/16/45/85/583164585.db2.gz SYIKCAGSFFAJDP-SOCHQFKDSA-N 0 1 274.273 -0.264 20 5 CBBDMN C[C@H]1CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000840673090 583166508 /nfs/dbraw/zinc/16/65/08/583166508.db2.gz YXMFPDQFUUTVGI-DJLDLDEBSA-N 0 1 272.257 -0.558 20 5 CBBDMN C[C@H](CN1CCOCC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673635 583166706 /nfs/dbraw/zinc/16/67/06/583166706.db2.gz WMDYBGVTMYQINJ-OPRDCNLKSA-N 0 1 258.274 -0.085 20 5 CBBDMN Cn1nccc1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845000733 583286245 /nfs/dbraw/zinc/28/62/45/583286245.db2.gz MEWFXWLKCLOVCD-IEBDPFPHSA-N 0 1 280.284 -0.015 20 5 CBBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(Cc2nnc[nH]2)CC1 ZINC000846527087 583375240 /nfs/dbraw/zinc/37/52/40/583375240.db2.gz MPSAFMQUQAZTEW-RKDXNWHRSA-N 0 1 280.288 -0.886 20 5 CBBDMN CC(C)(C)n1nnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000847187376 583400151 /nfs/dbraw/zinc/40/01/51/583400151.db2.gz BMPXBEWPYUQBRN-RNFRBKRXSA-N 0 1 268.277 -0.291 20 5 CBBDMN COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848119978 583428670 /nfs/dbraw/zinc/42/86/70/583428670.db2.gz VFHQMGSBBRQFEB-OUAUKWLOSA-N 0 1 293.279 -0.053 20 5 CBBDMN O=C(N[C@H](CO)Cc1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC000848374312 583444071 /nfs/dbraw/zinc/44/40/71/583444071.db2.gz FSQYOVHYTZOELD-HBNTYKKESA-N 0 1 265.269 -0.234 20 5 CBBDMN O=C(OC[C@H]1CCc2nnnn2CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000851428201 583514967 /nfs/dbraw/zinc/51/49/67/583514967.db2.gz OLJBZIQXVGKWAL-DJLDLDEBSA-N 0 1 281.272 -0.166 20 5 CBBDMN COC(=O)c1cnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000853158240 583578740 /nfs/dbraw/zinc/57/87/40/583578740.db2.gz GPRRDZPNXZXBNI-VXNVDRBHSA-N 0 1 281.224 -0.028 20 5 CBBDMN CCOC(=O)C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854537928 583606229 /nfs/dbraw/zinc/60/62/29/583606229.db2.gz CWDDWYBFGGHXBC-BWZBUEFSSA-N 0 1 260.246 -0.918 20 5 CBBDMN C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1(=O)=O ZINC000855704344 583647903 /nfs/dbraw/zinc/64/79/03/583647903.db2.gz UPDXVUKFWVBZRG-RBXMUDONSA-N 0 1 276.314 -0.267 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccon2)n1 ZINC000859048941 583707958 /nfs/dbraw/zinc/70/79/58/583707958.db2.gz GICXJLMMEFGGMT-UHFFFAOYSA-N 0 1 287.257 -0.205 20 5 CBBDMN Cn1ncnc1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862085951 583799385 /nfs/dbraw/zinc/79/93/85/583799385.db2.gz UTGLYNPUOIEVBB-HTQZYQBOSA-N 0 1 253.262 -0.471 20 5 CBBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](O)C1 ZINC000863833931 583859235 /nfs/dbraw/zinc/85/92/35/583859235.db2.gz YINWSPCGXAWFRB-JTQLQIEISA-N 0 1 294.311 -0.027 20 5 CBBDMN COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869993789 584006480 /nfs/dbraw/zinc/00/64/80/584006480.db2.gz YUHOSVFOANMPMG-HAYRHPOISA-N 0 1 286.284 -0.169 20 5 CBBDMN CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000881694050 584294847 /nfs/dbraw/zinc/29/48/47/584294847.db2.gz VZHDYZOBWPSXAB-LMLFDSFASA-N 0 1 267.285 -0.412 20 5 CBBDMN COc1nn(C)cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890024920 584538827 /nfs/dbraw/zinc/53/88/27/584538827.db2.gz RISHUWYOSLSLLZ-HTQZYQBOSA-N 0 1 254.246 -0.290 20 5 CBBDMN CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001843 613624216 /nfs/dbraw/zinc/62/42/16/613624216.db2.gz YDZZKFCSUJHYLK-LMLFDSFASA-N 0 1 267.285 -0.127 20 5 CBBDMN CC(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954235343 614344750 /nfs/dbraw/zinc/34/47/50/614344750.db2.gz VATDVOFHLPDPNR-NXEZZACHSA-N 0 1 269.301 -0.023 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC(C)(C)O)C1 ZINC000954240932 615867357 /nfs/dbraw/zinc/86/73/57/615867357.db2.gz ZNAOCCXNHGKVJU-NXEZZACHSA-N 0 1 299.327 -0.518 20 5 CBBDMN CN(C(=O)c1ccc[nH]1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953716273 615903315 /nfs/dbraw/zinc/90/33/15/615903315.db2.gz PNZRVKVIGZOMIT-MWLCHTKSSA-N 0 1 292.295 -0.037 20 5 CBBDMN COCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956369277 616545212 /nfs/dbraw/zinc/54/52/12/616545212.db2.gz PPBOUPQZNSWMQN-NXEZZACHSA-N 0 1 299.327 -0.205 20 5 CBBDMN COCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001852 616668215 /nfs/dbraw/zinc/66/82/15/616668215.db2.gz YFWCVJPEZIRODD-LMLFDSFASA-N 0 1 297.311 -0.500 20 5 CBBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000050708682 656021239 /nfs/dbraw/zinc/02/12/39/656021239.db2.gz JKNSNPCBHBWRJO-UHFFFAOYSA-N 0 1 263.217 -0.380 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)CCO)c1 ZINC000062351209 656033315 /nfs/dbraw/zinc/03/33/15/656033315.db2.gz FQEMGCHNAGYCOB-GFCCVEGCSA-N 0 1 270.285 -0.085 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC3(C2)OCCO3)c1 ZINC000173326514 656085001 /nfs/dbraw/zinc/08/50/01/656085001.db2.gz DICZFAGHXNQXRO-LLVKDONJSA-N 0 1 298.299 -0.399 20 5 CBBDMN CS(=O)(=O)N1CCCC[C@H]1CNCC[N+](=O)[O-] ZINC000905255869 656346486 /nfs/dbraw/zinc/34/64/86/656346486.db2.gz LBUULOZFFSZLOI-VIFPVBQESA-N 0 1 265.335 -0.333 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncccn1 ZINC000998266419 656521492 /nfs/dbraw/zinc/52/14/92/656521492.db2.gz QYDNDTREUYPITG-RKDXNWHRSA-N 0 1 291.267 -0.918 20 5 CBBDMN O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000909395049 656809980 /nfs/dbraw/zinc/80/99/80/656809980.db2.gz MAXHFEQIHUQREC-SRQGCSHVSA-N 0 1 257.242 -0.001 20 5 CBBDMN O=C(c1cocn1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010672888 657209098 /nfs/dbraw/zinc/20/90/98/657209098.db2.gz KNKRZUAMAWSJDV-PSASIEDQSA-N 0 1 294.267 -0.376 20 5 CBBDMN COC1(OC)CCOC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912840207 657352175 /nfs/dbraw/zinc/35/21/75/657352175.db2.gz GGAHFBPQGLWEMZ-HLTSFMKQSA-N 0 1 274.273 -0.454 20 5 CBBDMN COC1(OC)CCOC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912840213 657352338 /nfs/dbraw/zinc/35/23/38/657352338.db2.gz GGAHFBPQGLWEMZ-IWSPIJDZSA-N 0 1 274.273 -0.454 20 5 CBBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000913537338 657496520 /nfs/dbraw/zinc/49/65/20/657496520.db2.gz DHRCZQFKPUQUES-DTORHVGOSA-N 0 1 280.288 -0.509 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000922431296 658040778 /nfs/dbraw/zinc/04/07/78/658040778.db2.gz JAGRDUDDWZWCAZ-ZYUZMQFOSA-N 0 1 267.285 -0.221 20 5 CBBDMN CC[C@H](CN1CCOCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928646337 659058070 /nfs/dbraw/zinc/05/80/70/659058070.db2.gz JWOQEGDVBGHJIE-GMTAPVOTSA-N 0 1 271.317 -0.121 20 5 CBBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)F ZINC000979736555 659252358 /nfs/dbraw/zinc/25/23/58/659252358.db2.gz DSIQTOFQMLVONH-WCTZXXKLSA-N 0 1 291.254 -0.072 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000931404434 659454634 /nfs/dbraw/zinc/45/46/34/659454634.db2.gz ZDEWHSUTSYTFIR-NSHDSACASA-N 0 1 269.305 -0.600 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCOCC1 ZINC000990032433 659649982 /nfs/dbraw/zinc/64/99/82/659649982.db2.gz OYWCQPDTKFNUOO-GHMZBOCLSA-N 0 1 297.311 -0.595 20 5 CBBDMN O=C(CC1CC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990039902 659651330 /nfs/dbraw/zinc/65/13/30/659651330.db2.gz YMBPNECJBDVWPU-NXEZZACHSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnsn1 ZINC000990338656 659728108 /nfs/dbraw/zinc/72/81/08/659728108.db2.gz FIEZECBXPFJFBF-HTRCEHHLSA-N 0 1 297.296 -0.856 20 5 CBBDMN O=C(Cc1ccon1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991276375 659829183 /nfs/dbraw/zinc/82/91/83/659829183.db2.gz CZJWDDUJULLSRU-NXEZZACHSA-N 0 1 294.267 -0.791 20 5 CBBDMN Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991280330 659829550 /nfs/dbraw/zinc/82/95/50/659829550.db2.gz PGIUUROHUIFBSF-PSASIEDQSA-N 0 1 293.283 -0.974 20 5 CBBDMN O=C(NC1CN(C(=O)C2=CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991282279 659829809 /nfs/dbraw/zinc/82/98/09/659829809.db2.gz ZLRSVPOQXMNWPQ-GHMZBOCLSA-N 0 1 295.295 -0.675 20 5 CBBDMN O=C(Cc1cnoc1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991289170 659830412 /nfs/dbraw/zinc/83/04/12/659830412.db2.gz WQPBMVAIOOOZKF-NXEZZACHSA-N 0 1 294.267 -0.791 20 5 CBBDMN O=C(NC1CN(C(=O)C2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991296095 659830945 /nfs/dbraw/zinc/83/09/45/659830945.db2.gz MNQHBENTHLOKGY-GHMZBOCLSA-N 0 1 297.311 -0.595 20 5 CBBDMN CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001164672016 719371203 /nfs/dbraw/zinc/37/12/03/719371203.db2.gz XXMQVJFCOCXTHX-MNOVXSKESA-N 0 1 280.284 -0.253 20 5 CBBDMN Cc1nnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001030292410 799290749 /nfs/dbraw/zinc/29/07/49/799290749.db2.gz HCEHHTFUQUHJFF-RKDXNWHRSA-N 0 1 281.272 -0.656 20 5 CBBDMN CCn1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001030294177 799292237 /nfs/dbraw/zinc/29/22/37/799292237.db2.gz ZTOMXCAMILRCBQ-GHMZBOCLSA-N 0 1 294.315 -0.736 20 5 CBBDMN O=C(NC1CN(Cc2cnns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293562 799292257 /nfs/dbraw/zinc/29/22/57/799292257.db2.gz OEGXNBHXWBXGSM-RKDXNWHRSA-N 0 1 283.313 -0.496 20 5 CBBDMN Cn1nccc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661840 799530393 /nfs/dbraw/zinc/53/03/93/799530393.db2.gz KEVSNZRFCKHUFT-VXGBXAGGSA-N 0 1 293.327 -0.367 20 5 CBBDMN CC(C)=CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001041314542 801388205 /nfs/dbraw/zinc/38/82/05/801388205.db2.gz ZYXHHIBNPKHQFN-NXEZZACHSA-N 0 1 297.311 -0.693 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ncccn2)C1 ZINC001042705440 801510992 /nfs/dbraw/zinc/51/09/92/801510992.db2.gz QWZOBRJDVYTTLX-GHMZBOCLSA-N 0 1 291.311 -0.216 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cnsn2)C1 ZINC001042704970 801511737 /nfs/dbraw/zinc/51/17/37/801511737.db2.gz DWHYEDZPBUPSBY-NXEZZACHSA-N 0 1 297.340 -0.154 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001321809057 803817904 /nfs/dbraw/zinc/81/79/04/803817904.db2.gz DKNGMMRUZIQGCZ-UHFFFAOYSA-N 0 1 251.206 -0.292 20 5 CBBDMN O=C(NCCC1(O)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001323064044 803973209 /nfs/dbraw/zinc/97/32/09/803973209.db2.gz SDNJDPKEBRGRIJ-UHFFFAOYSA-N 0 1 284.272 -0.021 20 5 CBBDMN CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062370298 805005896 /nfs/dbraw/zinc/00/58/96/805005896.db2.gz YIVINCUKKPGQBW-RKDXNWHRSA-N 0 1 255.274 -0.173 20 5 CBBDMN Cc1ncc([N+](=O)[O-])c([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155573150 815296555 /nfs/dbraw/zinc/29/65/55/815296555.db2.gz YPDGXSXNIDAVCI-LDYMZIIASA-N 0 1 278.272 -0.317 20 5 CBBDMN O=C(NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ncn[nH]1 ZINC001093793366 810682755 /nfs/dbraw/zinc/68/27/55/810682755.db2.gz PBZRHGVXFWWSQV-UHFFFAOYSA-N 0 1 293.243 -0.345 20 5 CBBDMN O=C(NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1nc[nH]n1 ZINC001093793366 810682760 /nfs/dbraw/zinc/68/27/60/810682760.db2.gz PBZRHGVXFWWSQV-UHFFFAOYSA-N 0 1 293.243 -0.345 20 5 CBBDMN CCOC(=O)CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])COC1 ZINC001158268869 815517229 /nfs/dbraw/zinc/51/72/29/815517229.db2.gz KROWJHGDQIIBBK-HTQZYQBOSA-N 0 1 272.257 -0.510 20 5 CBBDMN Cn1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nn1 ZINC001118300113 812521793 /nfs/dbraw/zinc/52/17/93/812521793.db2.gz NSYGNPZERQOPMS-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN COC[C@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001119041875 812696688 /nfs/dbraw/zinc/69/66/88/812696688.db2.gz JAHXCQUSODXGPZ-VIFPVBQESA-N 0 1 258.234 -0.555 20 5 CBBDMN Nc1cc(NC[C@@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159043608 815556165 /nfs/dbraw/zinc/55/61/65/815556165.db2.gz FGQGARQXEGGNQC-SSDOTTSWSA-N 0 1 253.262 -0.028 20 5 CBBDMN O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H]2COCCN2)c1 ZINC001159035405 815556340 /nfs/dbraw/zinc/55/63/40/815556340.db2.gz GMZYYUICWSNHDG-QMMMGPOBSA-N 0 1 254.246 -0.372 20 5 CBBDMN O=C(CCNCC[N+](=O)[O-])NCc1cccnc1 ZINC001120486998 812974385 /nfs/dbraw/zinc/97/43/85/812974385.db2.gz ZAOLERGYDIPEOR-UHFFFAOYSA-N 0 1 252.274 -0.046 20 5 CBBDMN COC(=O)[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC001126890007 813691478 /nfs/dbraw/zinc/69/14/78/813691478.db2.gz MBRAIYMDEOBAOJ-XSSZXYGBSA-N 0 1 258.230 -0.900 20 5 CBBDMN COCc1noc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932323 813695317 /nfs/dbraw/zinc/69/53/17/813695317.db2.gz SFMPRWORHAHXBN-HTQZYQBOSA-N 0 1 299.287 -0.913 20 5 CBBDMN CNC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001128414846 813773581 /nfs/dbraw/zinc/77/35/81/813773581.db2.gz RTWWPGVVKUPRPP-XLDPMVHQSA-N 0 1 255.274 -0.364 20 5 CBBDMN O=C(NC[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001129517427 813846570 /nfs/dbraw/zinc/84/65/70/813846570.db2.gz ACKVFGOYIZAQCF-DJLDLDEBSA-N 0 1 276.314 -0.407 20 5 CBBDMN Cn1cnnc1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001141343742 814654209 /nfs/dbraw/zinc/65/42/09/814654209.db2.gz ZEBMQHHVKCKSBE-HTQZYQBOSA-N 0 1 253.262 -0.471 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCn2cncn2)CC1 ZINC001147843376 814919884 /nfs/dbraw/zinc/91/98/84/814919884.db2.gz KWTIJELNQRHZTC-GHMZBOCLSA-N 0 1 294.315 -0.913 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC001161588437 815772909 /nfs/dbraw/zinc/77/29/09/815772909.db2.gz VGOYAMVDMAZCIS-JGVFFNPUSA-N 0 1 284.272 -0.152 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1NCc1n[nH]c(CO)n1 ZINC001163802236 815903256 /nfs/dbraw/zinc/90/32/56/815903256.db2.gz PYUAIURQYIFTGJ-UHFFFAOYSA-N 0 1 253.222 -0.449 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1NCc1nnc(CO)[nH]1 ZINC001163802236 815903259 /nfs/dbraw/zinc/90/32/59/815903259.db2.gz PYUAIURQYIFTGJ-UHFFFAOYSA-N 0 1 253.222 -0.449 20 5 CBBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1cnc[nH]1 ZINC001293753706 816525252 /nfs/dbraw/zinc/52/52/52/816525252.db2.gz ZDDPNTWGWKQFSD-UHFFFAOYSA-N 0 1 277.240 -0.204 20 5 CBBDMN CC(C)OCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299124922 816710821 /nfs/dbraw/zinc/71/08/21/816710821.db2.gz ZYUPIYDBVYQLMU-NXEZZACHSA-N 0 1 299.327 -0.158 20 5 CBBDMN CCOCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299160281 816712618 /nfs/dbraw/zinc/71/26/18/816712618.db2.gz LXDOUNDGYNIWSL-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN O=C(N[C@@H]1Cc2cccnc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001303211488 816763397 /nfs/dbraw/zinc/76/33/97/816763397.db2.gz DEJIVSQMQDNUBI-IWSPIJDZSA-N 0 1 276.252 -0.274 20 5 CBBDMN CN(CCNCc1nncs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317586057 817022831 /nfs/dbraw/zinc/02/28/31/817022831.db2.gz XKRHBHDGNQSVBV-HTQZYQBOSA-N 0 1 285.329 -0.249 20 5 CBBDMN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001317626483 817032678 /nfs/dbraw/zinc/03/26/78/817032678.db2.gz IYSLDWUZFVBVIO-UHFFFAOYSA-N 0 1 280.284 -0.372 20 5 CBBDMN CCOCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001318020700 817065628 /nfs/dbraw/zinc/06/56/28/817065628.db2.gz YMWCKAMQNNRDMM-NXEZZACHSA-N 0 1 257.290 -0.512 20 5 CBBDMN C[C@@H](CS(C)(=O)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319718851 817235733 /nfs/dbraw/zinc/23/57/33/817235733.db2.gz YFIANTYIJFAYNR-YFKPBYRVSA-N 0 1 276.274 -0.519 20 5 CBBDMN Cc1nnc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001319999911 817266111 /nfs/dbraw/zinc/26/61/11/817266111.db2.gz NUHYFDSXMSDGHK-NXEZZACHSA-N 0 1 297.315 -0.067 20 5 CBBDMN Cc1n[nH]c(C2CN(c3ncc([N+](=O)[O-])c(N)n3)C2)n1 ZINC001164137957 819884141 /nfs/dbraw/zinc/88/41/41/819884141.db2.gz FNAXQRMUPJAUAL-UHFFFAOYSA-N 0 1 276.260 -0.003 20 5 CBBDMN Cc1nc(C2CN(c3ncc([N+](=O)[O-])c(N)n3)C2)n[nH]1 ZINC001164137957 819884149 /nfs/dbraw/zinc/88/41/49/819884149.db2.gz FNAXQRMUPJAUAL-UHFFFAOYSA-N 0 1 276.260 -0.003 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1cc([N+](=O)[O-])ccn1 ZINC001165438219 819964240 /nfs/dbraw/zinc/96/42/40/819964240.db2.gz YIRADHXHOYLVIW-SECBINFHSA-N 0 1 266.257 -0.059 20 5 CBBDMN COc1ccc(-n2nnnc2CN)nc1[N+](=O)[O-] ZINC001168918378 820189229 /nfs/dbraw/zinc/18/92/29/820189229.db2.gz CBAPCJJOFHCIQH-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN COC(=O)c1ccc([N+](=O)[O-])cc1-n1nnnc1CN ZINC001168920710 820192975 /nfs/dbraw/zinc/19/29/75/820192975.db2.gz WBBMBYAOIQFDGH-UHFFFAOYSA-N 0 1 278.228 -0.184 20 5 CBBDMN O=C1COC[C@@H]2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035519 820201287 /nfs/dbraw/zinc/20/12/87/820201287.db2.gz BRRJJNIHAYTJDF-SRVKXCTJSA-N 0 1 283.328 -0.025 20 5 CBBDMN CN1CCN(C2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036911 820201719 /nfs/dbraw/zinc/20/17/19/820201719.db2.gz QUMGFOFJHIGWBC-NEPJUHHUSA-N 0 1 296.371 -0.110 20 5 CBBDMN CN1CCN(C2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036915 820202250 /nfs/dbraw/zinc/20/22/50/820202250.db2.gz QUMGFOFJHIGWBC-RYUDHWBXSA-N 0 1 296.371 -0.110 20 5 CBBDMN O=C(N[C@@H](CO)[C@@H](O)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001171166040 820348841 /nfs/dbraw/zinc/34/88/41/820348841.db2.gz FPQPRJBOBOOCIJ-YTWAJWBKSA-N 0 1 281.268 -0.743 20 5 CBBDMN O=C(N[C@@H]1COCC[C@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC001174877918 820418420 /nfs/dbraw/zinc/41/84/20/820418420.db2.gz GWQDQDRDEIIARS-IYSWYEEDSA-N 0 1 256.218 -0.803 20 5 CBBDMN CCOCCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282943223 828476340 /nfs/dbraw/zinc/47/63/40/828476340.db2.gz JMOMPOCZLUSDQK-RKDXNWHRSA-N 0 1 273.289 -0.689 20 5 CBBDMN COc1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001283005321 828489822 /nfs/dbraw/zinc/48/98/22/828489822.db2.gz UGFBEZFPNGGBHV-HTQZYQBOSA-N 0 1 297.267 -0.201 20 5 CBBDMN CC(F)(F)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283163342 828501792 /nfs/dbraw/zinc/50/17/92/828501792.db2.gz AKLCEFRPNBQHRM-RNFRBKRXSA-N 0 1 279.243 -0.071 20 5 CBBDMN CCN(CCNC(=O)CCOC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284596042 828613075 /nfs/dbraw/zinc/61/30/75/828613075.db2.gz CAMBUUYIIBMLCF-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN C[N@@H+]1CCO[C@H](COc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226332493 825275767 /nfs/dbraw/zinc/27/57/67/825275767.db2.gz VLXHBIZYQDDGTG-ZETCQYMHSA-N 0 1 270.245 -0.200 20 5 CBBDMN C[N@H+]1CCO[C@H](COc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226332493 825275773 /nfs/dbraw/zinc/27/57/73/825275773.db2.gz VLXHBIZYQDDGTG-ZETCQYMHSA-N 0 1 270.245 -0.200 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1c[nH]nn1 ZINC001253923973 825936262 /nfs/dbraw/zinc/93/62/62/825936262.db2.gz VXRSRMXRVFHCIT-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CC(N)=O)C(N)=O ZINC001254550049 825966407 /nfs/dbraw/zinc/96/64/07/825966407.db2.gz ZQDDBZOEFPKVCI-WPRPVWTQSA-N 0 1 294.311 -0.155 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCOC2)n1 ZINC001261793388 826581404 /nfs/dbraw/zinc/58/14/04/826581404.db2.gz HBKIWQJQMMPHBO-ZETCQYMHSA-N 0 1 290.301 -0.357 20 5 CBBDMN O=C(NCCN1CC[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001261839610 826596107 /nfs/dbraw/zinc/59/61/07/826596107.db2.gz IOOZMQJXDKPLNT-ZETCQYMHSA-N 0 1 269.261 -0.886 20 5 CBBDMN O=C(NC1CN(CCOCC2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001267645100 827190473 /nfs/dbraw/zinc/19/04/73/827190473.db2.gz LLAQJWNXCFMRMP-VXGBXAGGSA-N 0 1 283.328 -0.121 20 5 CBBDMN Cc1noc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001268544077 827361098 /nfs/dbraw/zinc/36/10/98/827361098.db2.gz YWLUOLYPLWRJIU-JAFKPYBISA-N 0 1 295.299 -0.195 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC1 ZINC001270466164 827570786 /nfs/dbraw/zinc/57/07/86/827570786.db2.gz QRDULFMTNBTASX-DJLDLDEBSA-N 0 1 255.274 -0.221 20 5 CBBDMN NC(=O)C(=O)NC/C=C\CNCc1cccc([N+](=O)[O-])c1 ZINC001274325013 827984129 /nfs/dbraw/zinc/98/41/29/827984129.db2.gz IWZHIKRSVYVGHT-UPHRSURJSA-N 0 1 292.295 -0.158 20 5 CBBDMN Cc1noc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001277055363 828174087 /nfs/dbraw/zinc/17/40/87/828174087.db2.gz OLNXFRVFOGWYAH-RKDXNWHRSA-N 0 1 295.299 -0.218 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CCC(CO)(CO)C2)n1 ZINC001333621726 887721224 /nfs/dbraw/zinc/72/12/24/887721224.db2.gz FFBXGAFIOXAOHK-UHFFFAOYSA-N 0 1 270.289 -0.532 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C[C@H]2CO)c1 ZINC001175678147 884695190 /nfs/dbraw/zinc/69/51/90/884695190.db2.gz MLDUXHNVKMTHGO-ONGXEEELSA-N 0 1 268.273 -0.615 20 5 CBBDMN Cc1nn(C)c(C(=O)NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC001326769106 885135391 /nfs/dbraw/zinc/13/53/91/885135391.db2.gz WXDLYAPRILIJRW-UHFFFAOYSA-N 0 1 279.260 -0.273 20 5 CBBDMN O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N1CCNCC1 ZINC001326806167 885157414 /nfs/dbraw/zinc/15/74/14/885157414.db2.gz QBXNHMOAHVWECX-UHFFFAOYSA-N 0 1 295.295 -0.102 20 5 CBBDMN O=C(NC1CCN([C@H]2CCOC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001446598426 912912947 /nfs/dbraw/zinc/91/29/47/912912947.db2.gz QQFRRSTVGJFRFT-OUAUKWLOSA-N 0 1 297.311 -0.452 20 5 CBBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCCc1nc[nH]n1 ZINC001329069740 885913665 /nfs/dbraw/zinc/91/36/65/885913665.db2.gz HMFVJPWQPRXQEN-UHFFFAOYSA-N 0 1 279.260 -0.342 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC001333037344 887508132 /nfs/dbraw/zinc/50/81/32/887508132.db2.gz DVUPXRHSSSKBAG-LLVKDONJSA-N 0 1 269.305 -0.600 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001335582705 888569012 /nfs/dbraw/zinc/56/90/12/888569012.db2.gz CJJIDNLSSJIWPN-MRVPVSSYSA-N 0 1 291.271 -0.075 20 5 CBBDMN COC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001340491448 889439967 /nfs/dbraw/zinc/43/99/67/889439967.db2.gz MJBZFDWXRSQKNA-JTQLQIEISA-N 0 1 282.300 -0.006 20 5 CBBDMN CC(=O)CCCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348452976 890626103 /nfs/dbraw/zinc/62/61/03/890626103.db2.gz LXPLGXYNUFKDOC-NXEZZACHSA-N 0 1 285.300 -0.357 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001351467111 891139811 /nfs/dbraw/zinc/13/98/11/891139811.db2.gz SZUKRAZIUCREKR-NXEZZACHSA-N 0 1 295.299 -0.347 20 5 CBBDMN CC(C)OCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001353733035 891468159 /nfs/dbraw/zinc/46/81/59/891468159.db2.gz KFPKMLCQGNXBRL-LMLFDSFASA-N 0 1 299.327 -0.160 20 5 CBBDMN CN(CCNC(=O)c1cscn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355516837 891683976 /nfs/dbraw/zinc/68/39/76/891683976.db2.gz FBYKAKXYUADVJK-VXNVDRBHSA-N 0 1 298.324 -0.004 20 5 CBBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCNC[C@H]1CO ZINC001358026003 891958182 /nfs/dbraw/zinc/95/81/82/891958182.db2.gz CCMHSLSLMRYHGO-LBPRGKRZSA-N 0 1 279.296 -0.070 20 5 CBBDMN COCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358643151 892039943 /nfs/dbraw/zinc/03/99/43/892039943.db2.gz CGXNTNDZYJOTBJ-RKDXNWHRSA-N 0 1 285.300 -0.547 20 5 CBBDMN O=C(N[C@H](CO)[C@@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC001451446088 913844217 /nfs/dbraw/zinc/84/42/17/913844217.db2.gz MBRWWAQYMWRMDP-ZYUZMQFOSA-N 0 1 258.274 -0.445 20 5 CBBDMN O=C(N[C@H](CO)[C@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC001451446087 913845222 /nfs/dbraw/zinc/84/52/22/913845222.db2.gz MBRWWAQYMWRMDP-SGIHWFKDSA-N 0 1 258.274 -0.445 20 5 CBBDMN Cn1cnnc1[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001455321964 914335940 /nfs/dbraw/zinc/33/59/40/914335940.db2.gz BYSJAKSWSUANIG-IWSPIJDZSA-N 0 1 265.273 -0.204 20 5 CBBDMN Cn1cnnc1[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001455321960 914337087 /nfs/dbraw/zinc/33/70/87/914337087.db2.gz BYSJAKSWSUANIG-DJLDLDEBSA-N 0 1 265.273 -0.204 20 5 CBBDMN O=C(NCc1nnc([C@@H]2CCOC2)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001457929646 914605280 /nfs/dbraw/zinc/60/52/80/914605280.db2.gz DYLRQRNIMQGEFW-BWZBUEFSSA-N 0 1 281.272 -0.410 20 5 CBBDMN Nc1nc(NCCN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC001458389530 914650551 /nfs/dbraw/zinc/65/05/51/914650551.db2.gz WYYXDMDUNABZPR-UHFFFAOYSA-N 0 1 282.304 -0.164 20 5 CBBDMN COCCO[C@H]1COCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001459148840 914709062 /nfs/dbraw/zinc/70/90/62/914709062.db2.gz MXRDCECSKCHCNY-YTWAJWBKSA-N 0 1 288.300 -0.412 20 5 CBBDMN CCOCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506254891 921561953 /nfs/dbraw/zinc/56/19/53/921561953.db2.gz CMCMPHOPBWMIEY-NXEZZACHSA-N 0 1 285.300 -0.643 20 5 CBBDMN CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001462632999 914884353 /nfs/dbraw/zinc/88/43/53/914884353.db2.gz UUGUOLPFBAEBOK-DJLDLDEBSA-N 0 1 291.329 -0.951 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC=C[C@H]2CO)c1[N+](=O)[O-] ZINC001471529904 915597284 /nfs/dbraw/zinc/59/72/84/915597284.db2.gz LZCMFFOOSBOPIY-ZETCQYMHSA-N 0 1 252.230 -0.001 20 5 CBBDMN Cn1ncnc1C1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001471669954 915623546 /nfs/dbraw/zinc/62/35/46/915623546.db2.gz KTWUEUAUGSZEEI-RKDXNWHRSA-N 0 1 295.299 -0.710 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](O)[C@@H](CO)C1 ZINC001473538948 915831247 /nfs/dbraw/zinc/83/12/47/915831247.db2.gz ZVCKJVAZXZSONQ-KOLCDFICSA-N 0 1 283.284 -0.959 20 5 CBBDMN Cn1ncc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001480354870 916370253 /nfs/dbraw/zinc/37/02/53/916370253.db2.gz SSOXWHFJHKLZQZ-GHMZBOCLSA-N 0 1 294.315 -0.876 20 5 CBBDMN COCCN(CCNC(=O)C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001488527729 918738149 /nfs/dbraw/zinc/73/81/49/918738149.db2.gz XNTXMESUTRHKTF-GHMZBOCLSA-N 0 1 299.327 -0.347 20 5 CBBDMN Cc1ncn(C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491281589 919103245 /nfs/dbraw/zinc/10/32/45/919103245.db2.gz CFYYDQURZTYRND-RKDXNWHRSA-N 0 1 295.299 -0.760 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccn(C)n1 ZINC001492250598 919378321 /nfs/dbraw/zinc/37/83/21/919378321.db2.gz YHWKRSBYUMYIFE-GHMZBOCLSA-N 0 1 281.316 -0.367 20 5 CBBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncnn1C ZINC001492949794 919455520 /nfs/dbraw/zinc/45/55/20/919455520.db2.gz ALDYCWNQKMUSDF-NXEZZACHSA-N 0 1 296.331 -0.582 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnns1 ZINC001522841988 922531729 /nfs/dbraw/zinc/53/17/29/922531729.db2.gz KKSQJOPRPSUXPA-RNFRBKRXSA-N 0 1 299.312 -0.561 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cn[nH]c1 ZINC001522846700 922533385 /nfs/dbraw/zinc/53/33/85/922533385.db2.gz OJRJPFYDKYEBNB-RKDXNWHRSA-N 0 1 281.272 -0.689 20 5 CBBDMN Cc1nc[nH]c1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522901084 922546364 /nfs/dbraw/zinc/54/63/64/922546364.db2.gz FHZDVBNWXFHNNV-RKDXNWHRSA-N 0 1 295.299 -0.381 20 5 CBBDMN CN(CCNC(=O)C(C)(C)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001527865094 922773988 /nfs/dbraw/zinc/77/39/88/922773988.db2.gz GXILUSIVPRLOFV-HTQZYQBOSA-N 0 1 275.280 -0.026 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1csnn1 ZINC001528111805 922805290 /nfs/dbraw/zinc/80/52/90/922805290.db2.gz XBOZHDQEGKQHDG-HTRCEHHLSA-N 0 1 299.312 -0.609 20 5 CBBDMN C[C@@H]1c2nncn2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528934551 922862039 /nfs/dbraw/zinc/86/20/39/922862039.db2.gz TVVZDJLHOALJOG-BWZBUEFSSA-N 0 1 251.246 -0.154 20 5 CBBDMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529306221 922887895 /nfs/dbraw/zinc/88/78/95/922887895.db2.gz UDAKVYZULATCTI-BZNPZCIMSA-N 0 1 278.330 -0.068 20 5 CBBDMN CCCCOCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530404229 922932062 /nfs/dbraw/zinc/93/20/62/922932062.db2.gz OEAIFWFOQQURCS-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001534399142 923146597 /nfs/dbraw/zinc/14/65/97/923146597.db2.gz IZULDKZGYYRXDD-OPRDCNLKSA-N 0 1 290.341 -0.065 20 5 CBBDMN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC001537226237 923230694 /nfs/dbraw/zinc/23/06/94/923230694.db2.gz SQUREVLURYCYOC-ZYUZMQFOSA-N 0 1 285.300 -0.596 20 5 CBBDMN COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537823781 923239647 /nfs/dbraw/zinc/23/96/47/923239647.db2.gz KIDLVAIXBOYMBN-DOLQZWNJSA-N 0 1 286.284 -0.122 20 5 CBBDMN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC001539041390 923252140 /nfs/dbraw/zinc/25/21/40/923252140.db2.gz UZBDJXUSGJDIPV-UHFFFAOYSA-N 0 1 280.248 -0.298 20 5 CBBDMN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001543257582 923285830 /nfs/dbraw/zinc/28/58/30/923285830.db2.gz NMOBBLRCEJGVGE-BWZBUEFSSA-N 0 1 262.287 -0.798 20 5 CBBDMN O=C(NC[C@@H](O)CO)c1cc(O)cc([N+](=O)[O-])c1 ZINC001558672974 924190174 /nfs/dbraw/zinc/19/01/74/924190174.db2.gz GVFALEABXCXDIM-SECBINFHSA-N 0 1 256.214 -0.617 20 5 CBBDMN C[C@@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000124504632 187140725 /nfs/dbraw/zinc/14/07/25/187140725.db2.gz XFWDKEFPGLIUNT-SECBINFHSA-N 0 1 280.284 -0.423 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)CCOCCO)c1[N+](=O)[O-] ZINC000337600680 214175547 /nfs/dbraw/zinc/17/55/47/214175547.db2.gz JEVBZDDGIWXBBP-UHFFFAOYSA-N 0 1 272.261 -0.293 20 5 CBBDMN O=C(NCCN1CCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000337724418 214235215 /nfs/dbraw/zinc/23/52/15/214235215.db2.gz RZKZITGCCITNMZ-UHFFFAOYSA-N 0 1 282.304 -0.204 20 5 CBBDMN CCOC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000047296129 351459494 /nfs/dbraw/zinc/45/94/94/351459494.db2.gz CVZLBTCQPQRUIQ-RKDXNWHRSA-N 0 1 271.273 -0.048 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CCNCC1 ZINC000040507971 351417251 /nfs/dbraw/zinc/41/72/51/351417251.db2.gz XGBSMDJQFQVQGE-UHFFFAOYSA-N 0 1 295.299 -0.905 20 5 CBBDMN O=C(NCc1nnc2n1CCCC2)[C@H]1CC1[N+](=O)[O-] ZINC000048792378 351479190 /nfs/dbraw/zinc/47/91/90/351479190.db2.gz LCPNUHRJHOMHBP-JGVFFNPUSA-N 0 1 265.273 -0.104 20 5 CBBDMN NC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000052745045 351521263 /nfs/dbraw/zinc/52/12/63/351521263.db2.gz XBFGRYQVETVKHK-HTQZYQBOSA-N 0 1 271.273 -0.950 20 5 CBBDMN CC(C)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000052960257 351524190 /nfs/dbraw/zinc/52/41/90/351524190.db2.gz NOMOHNUMYMZPLO-UHFFFAOYSA-N 0 1 296.331 -0.014 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000080943219 351701955 /nfs/dbraw/zinc/70/19/55/351701955.db2.gz DXWLFOXXAMDUBC-SRVKXCTJSA-N 0 1 283.328 -0.025 20 5 CBBDMN CCNC(=O)CN(CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075598041 351668076 /nfs/dbraw/zinc/66/80/76/351668076.db2.gz KZJSVSZXWWWBNB-NSHDSACASA-N 0 1 299.331 -0.390 20 5 CBBDMN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C)C1=O ZINC000075752623 351670979 /nfs/dbraw/zinc/67/09/79/351670979.db2.gz GCMHBXPWGNENKT-WDEREUQCSA-N 0 1 297.315 -0.685 20 5 CBBDMN [NH3+]CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122456875 187033542 /nfs/dbraw/zinc/03/35/42/187033542.db2.gz LZXNHULSHRPOEA-UHFFFAOYSA-N 0 1 263.250 -0.029 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000160622244 351971074 /nfs/dbraw/zinc/97/10/74/351971074.db2.gz ZLZBDONREFTLQX-VXNVDRBHSA-N 0 1 283.288 -0.233 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1 ZINC000188415105 352151406 /nfs/dbraw/zinc/15/14/06/352151406.db2.gz AIEGGXKRUFRSLY-SECBINFHSA-N 0 1 280.284 -0.423 20 5 CBBDMN C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000189401196 352169428 /nfs/dbraw/zinc/16/94/28/352169428.db2.gz JNDKXCGIXZOKQX-LLVKDONJSA-N 0 1 283.332 -0.210 20 5 CBBDMN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1CCO ZINC000187696486 352141389 /nfs/dbraw/zinc/14/13/89/352141389.db2.gz KYACOVYKPWDWAA-NSHDSACASA-N 0 1 283.332 -0.210 20 5 CBBDMN C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1nnc[nH]1 ZINC000225065353 352246989 /nfs/dbraw/zinc/24/69/89/352246989.db2.gz RRQFGGUFDPCVSW-LURJTMIESA-N 0 1 265.233 -0.213 20 5 CBBDMN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000225070012 352247835 /nfs/dbraw/zinc/24/78/35/352247835.db2.gz BYTQPFKHVYXAER-LURJTMIESA-N 0 1 265.233 -0.213 20 5 CBBDMN COCCN1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000270805812 352502085 /nfs/dbraw/zinc/50/20/85/352502085.db2.gz VMZJXYZDPNZQDL-QMMMGPOBSA-N 0 1 283.288 -0.232 20 5 CBBDMN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272699042 352523825 /nfs/dbraw/zinc/52/38/25/352523825.db2.gz STLJCNDQNNLTMJ-VIFPVBQESA-N 0 1 293.235 -0.165 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(=O)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295828691 352707546 /nfs/dbraw/zinc/70/75/46/352707546.db2.gz CMGBGWPDGZZASV-LURJTMIESA-N 0 1 281.272 -0.159 20 5 CBBDMN CN1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000330473546 352830496 /nfs/dbraw/zinc/83/04/96/352830496.db2.gz HQPYWGDQYSSOIQ-UHFFFAOYSA-N 0 1 296.331 -0.845 20 5 CBBDMN O=C(CO)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330527761 352839579 /nfs/dbraw/zinc/83/95/79/352839579.db2.gz PWDZZZBSXCJUCY-UHFFFAOYSA-N 0 1 295.295 -0.063 20 5 CBBDMN CN1CCO[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000330525977 352840181 /nfs/dbraw/zinc/84/01/81/352840181.db2.gz KNAFLFYMHVRARZ-SSDOTTSWSA-N 0 1 269.261 -0.622 20 5 CBBDMN CO[C@H]1C[C@@H](CO)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330557252 352847960 /nfs/dbraw/zinc/84/79/60/352847960.db2.gz WHSYBHGGRHAETD-ONGXEEELSA-N 0 1 270.289 -0.127 20 5 CBBDMN NC(=O)[C@]1(O)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339119517 353132069 /nfs/dbraw/zinc/13/20/69/353132069.db2.gz RVCKNPHDMXTGCB-LBPRGKRZSA-N 0 1 281.268 -0.278 20 5 CBBDMN NC(=O)[C@]1(O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339119517 353132071 /nfs/dbraw/zinc/13/20/71/353132071.db2.gz RVCKNPHDMXTGCB-LBPRGKRZSA-N 0 1 281.268 -0.278 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000340718452 353183488 /nfs/dbraw/zinc/18/34/88/353183488.db2.gz VQDPYUNCIFOHHR-ZETCQYMHSA-N 0 1 281.272 -0.159 20 5 CBBDMN O=C(NCCN1C(=O)CCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343300067 353266286 /nfs/dbraw/zinc/26/62/86/353266286.db2.gz PTDKHZDOTSIGRX-UHFFFAOYSA-N 0 1 295.255 -0.413 20 5 CBBDMN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346343193 353373050 /nfs/dbraw/zinc/37/30/50/353373050.db2.gz FLEAEYCWBSXPRW-BQBZGAKWSA-N 0 1 281.272 -0.038 20 5 CBBDMN Cc1nnc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[nH]1 ZINC000348053495 353406947 /nfs/dbraw/zinc/40/69/47/353406947.db2.gz VDOAYLRRZXVIRC-UHFFFAOYSA-N 0 1 278.228 -0.178 20 5 CBBDMN Cc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000348053495 353406949 /nfs/dbraw/zinc/40/69/49/353406949.db2.gz VDOAYLRRZXVIRC-UHFFFAOYSA-N 0 1 278.228 -0.178 20 5 CBBDMN C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000354689422 353578297 /nfs/dbraw/zinc/57/82/97/353578297.db2.gz WNKBFQBSMIKHQY-SNVBAGLBSA-N 0 1 269.261 -0.886 20 5 CBBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000354689422 353578298 /nfs/dbraw/zinc/57/82/98/353578298.db2.gz WNKBFQBSMIKHQY-SNVBAGLBSA-N 0 1 269.261 -0.886 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366842948 353677988 /nfs/dbraw/zinc/67/79/88/353677988.db2.gz DJHDKYYFDSHWSZ-HXFLIBJXSA-N 0 1 269.257 -0.392 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000370926603 353693399 /nfs/dbraw/zinc/69/33/99/353693399.db2.gz CADZONDTHFHQRM-IVZWLZJFSA-N 0 1 279.300 -0.220 20 5 CBBDMN O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371435315 353701349 /nfs/dbraw/zinc/70/13/49/353701349.db2.gz BWBAGQZLXMQLQF-LPEHRKFASA-N 0 1 267.285 -0.079 20 5 CBBDMN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000371671423 353705126 /nfs/dbraw/zinc/70/51/26/353705126.db2.gz MHYQRXYWICSNTJ-IWSPIJDZSA-N 0 1 279.300 -0.063 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)OC[C@@H]2C1 ZINC000371992107 353708570 /nfs/dbraw/zinc/70/85/70/353708570.db2.gz NSHUTKWPZINBOU-RNJXMRFFSA-N 0 1 255.230 -0.685 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](n2cncn2)C1 ZINC000372472606 353717173 /nfs/dbraw/zinc/71/71/73/353717173.db2.gz IWHRJDHXCHFUEM-YIZRAAEISA-N 0 1 251.246 -0.283 20 5 CBBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372709493 353721080 /nfs/dbraw/zinc/72/10/80/353721080.db2.gz AZSFLZWHIKBMNR-IGORNWKESA-N 0 1 267.285 -0.236 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000375338577 353758594 /nfs/dbraw/zinc/75/85/94/353758594.db2.gz YOKBUWHVEKEXST-LOKLDPHHSA-N 0 1 267.285 -0.175 20 5 CBBDMN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375445551 353760336 /nfs/dbraw/zinc/76/03/36/353760336.db2.gz AGJRXUVCAHRFMZ-DBRKOABJSA-N 0 1 295.217 -0.226 20 5 CBBDMN O=C(NCc1nnc2n1CCOC2)[C@H]1CC1[N+](=O)[O-] ZINC000375460105 353760661 /nfs/dbraw/zinc/76/06/61/353760661.db2.gz VFSNCIBSDFHVHT-NKWVEPMBSA-N 0 1 267.245 -0.910 20 5 CBBDMN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC1=O ZINC000374143506 353741203 /nfs/dbraw/zinc/74/12/03/353741203.db2.gz TWKGMPALEBYQTO-ZJDVBMNYSA-N 0 1 267.285 -0.223 20 5 CBBDMN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000374143505 353741549 /nfs/dbraw/zinc/74/15/49/353741549.db2.gz TWKGMPALEBYQTO-GRDBIXFFSA-N 0 1 267.285 -0.223 20 5 CBBDMN O=C(N[C@H]1CCC(=O)NC12CCC2)[C@H]1CC1[N+](=O)[O-] ZINC000374651467 353747964 /nfs/dbraw/zinc/74/79/64/353747964.db2.gz AVZLQNFSLNVPAB-YIZRAAEISA-N 0 1 267.285 -0.031 20 5 CBBDMN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000443037012 354259233 /nfs/dbraw/zinc/25/92/33/354259233.db2.gz NATAQSVIVWLPNO-VDTYLAMSSA-N 0 1 267.245 -0.428 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000447239509 354293693 /nfs/dbraw/zinc/29/36/93/354293693.db2.gz NICXVXRROIWVII-ZETCQYMHSA-N 0 1 291.333 -0.316 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000444313256 354269055 /nfs/dbraw/zinc/26/90/55/354269055.db2.gz GZDFPFCYAHXPCU-RNFRBKRXSA-N 0 1 284.272 -0.552 20 5 CBBDMN C[C@@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000444655595 354275453 /nfs/dbraw/zinc/27/54/53/354275453.db2.gz WXTKMRKFQBTXFL-SNVBAGLBSA-N 0 1 283.332 -0.173 20 5 CBBDMN C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207101 354280532 /nfs/dbraw/zinc/28/05/32/354280532.db2.gz BTWBDDAQXJXPGG-GFCCVEGCSA-N 0 1 296.283 -0.508 20 5 CBBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207101 354280537 /nfs/dbraw/zinc/28/05/37/354280537.db2.gz BTWBDDAQXJXPGG-GFCCVEGCSA-N 0 1 296.283 -0.508 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCn3nncc3C2)c1[N+](=O)[O-] ZINC000566467010 354768497 /nfs/dbraw/zinc/76/84/97/354768497.db2.gz RAGYWDNXVPMHHA-UHFFFAOYSA-N 0 1 277.244 -0.126 20 5 CBBDMN CO[C@H]1C[C@@H](C(=O)[O-])[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000568067127 354809689 /nfs/dbraw/zinc/80/96/89/354809689.db2.gz MXEDICLMCNDOBQ-IUCAKERBSA-N 0 1 284.272 -0.035 20 5 CBBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000572573849 354893517 /nfs/dbraw/zinc/89/35/17/354893517.db2.gz NBFVIMIEHVDESO-UHFFFAOYSA-N 0 1 275.228 -0.078 20 5 CBBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592553356 355162427 /nfs/dbraw/zinc/16/24/27/355162427.db2.gz JUXMRWJNWOMBIE-MRVPVSSYSA-N 0 1 297.271 -0.705 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CN(C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592899196 355177919 /nfs/dbraw/zinc/17/79/19/355177919.db2.gz BWVHMJLHWYYMPD-ZCFIWIBFSA-N 0 1 267.245 -0.113 20 5 CBBDMN CO[C@](C)(CO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000594399986 355246005 /nfs/dbraw/zinc/24/60/05/355246005.db2.gz VQLBULBGZVEHKG-VIFPVBQESA-N 0 1 258.234 -0.555 20 5 CBBDMN C[C@@H](CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761149 355261439 /nfs/dbraw/zinc/26/14/39/355261439.db2.gz GQOZYGPRZLQJLZ-SSDOTTSWSA-N 0 1 275.286 -0.104 20 5 CBBDMN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595784366 355307448 /nfs/dbraw/zinc/30/74/48/355307448.db2.gz TUXYYUXVZZEBSL-LLVKDONJSA-N 0 1 297.315 -0.684 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598161304 355433528 /nfs/dbraw/zinc/43/35/28/355433528.db2.gz QPXVLEDQXUBAAO-UHFFFAOYSA-N 0 1 253.262 -0.049 20 5 CBBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598743645 355452620 /nfs/dbraw/zinc/45/26/20/355452620.db2.gz BYGQZITVXBOJQT-UHFFFAOYSA-N 0 1 268.189 -0.321 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[NH2+]C2CC2)n1 ZINC000599097497 355463417 /nfs/dbraw/zinc/46/34/17/355463417.db2.gz JNAQOSWLLQPARU-UHFFFAOYSA-N 0 1 289.317 -0.641 20 5 CBBDMN O=C(NC[C@H]1COCCN1)Nc1ccncc1[N+](=O)[O-] ZINC000599614956 355504401 /nfs/dbraw/zinc/50/44/01/355504401.db2.gz WPIQFYQSCJRZIB-QMMMGPOBSA-N 0 1 281.272 -0.478 20 5 CBBDMN NC(=O)c1ccnc(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176019 355470012 /nfs/dbraw/zinc/47/00/12/355470012.db2.gz OKHIAWRGIODUPT-MRVPVSSYSA-N 0 1 295.299 -0.433 20 5 CBBDMN CC[C@@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245122 355473859 /nfs/dbraw/zinc/47/38/59/355473859.db2.gz QGGUJBZNDBHURO-ZETCQYMHSA-N 0 1 292.317 -0.232 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)C2CC2)n1 ZINC000599244468 355473907 /nfs/dbraw/zinc/47/39/07/355473907.db2.gz JGSDOESRIUVSAB-MRVPVSSYSA-N 0 1 290.301 -0.623 20 5 CBBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)O ZINC000599244473 355473931 /nfs/dbraw/zinc/47/39/31/355473931.db2.gz JODSZWQHMQQJFM-ZCFIWIBFSA-N 0 1 292.317 -0.234 20 5 CBBDMN CC[C@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599239056 355473970 /nfs/dbraw/zinc/47/39/70/355473970.db2.gz MYKVZCHVXJKGTN-ZCFIWIBFSA-N 0 1 278.290 -0.623 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(C)(C)O)n1 ZINC000599281277 355476054 /nfs/dbraw/zinc/47/60/54/355476054.db2.gz HOBDDMYNOBTGAR-UHFFFAOYSA-N 0 1 292.317 -0.232 20 5 CBBDMN C[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 ZINC000599339026 355481169 /nfs/dbraw/zinc/48/11/69/355481169.db2.gz DTZRIILLUSFETR-BQBZGAKWSA-N 0 1 290.301 -0.216 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)CCF)n1 ZINC000599343157 355481752 /nfs/dbraw/zinc/48/17/52/355481752.db2.gz NZKYXEIYLYDTHK-ZCFIWIBFSA-N 0 1 296.280 -0.673 20 5 CBBDMN COC(=O)C[C@@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600465888 355551833 /nfs/dbraw/zinc/55/18/33/355551833.db2.gz RRXDAWNDGXCPEG-SNVBAGLBSA-N 0 1 298.251 -0.046 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600216728 355528599 /nfs/dbraw/zinc/52/85/99/355528599.db2.gz CPVJLZIXRVIVKY-BQBZGAKWSA-N 0 1 284.272 -0.381 20 5 CBBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1CCO ZINC000602625585 355665533 /nfs/dbraw/zinc/66/55/33/355665533.db2.gz TXEOQUOFCOXKHH-SNVBAGLBSA-N 0 1 283.332 -0.173 20 5 CBBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000609532132 355770164 /nfs/dbraw/zinc/77/01/64/355770164.db2.gz GWLLFHCJWNKQBC-UHFFFAOYSA-N 0 1 263.217 -0.259 20 5 CBBDMN CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000611088430 355793654 /nfs/dbraw/zinc/79/36/54/355793654.db2.gz VBSXFFCRNSCEMG-SECBINFHSA-N 0 1 282.304 -0.261 20 5 CBBDMN CN1CC2(C1)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000619251587 356213029 /nfs/dbraw/zinc/21/30/29/356213029.db2.gz CGWMRVLVPCDNDZ-UHFFFAOYSA-N 0 1 279.300 -0.045 20 5 CBBDMN NC(=O)[C@@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619254989 356213122 /nfs/dbraw/zinc/21/31/22/356213122.db2.gz SAORBWZUXUBGAE-QMMMGPOBSA-N 0 1 293.239 -0.953 20 5 CBBDMN CC(C)[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000341947517 216163274 /nfs/dbraw/zinc/16/32/74/216163274.db2.gz SGJFGVLLBFNMSH-SNVBAGLBSA-N 0 1 269.261 -0.052 20 5 CBBDMN CN(C)C1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000342142829 216235972 /nfs/dbraw/zinc/23/59/72/216235972.db2.gz UUNCDVILINXYGK-UHFFFAOYSA-N 0 1 253.262 -0.286 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342299772 216299158 /nfs/dbraw/zinc/29/91/58/216299158.db2.gz BVDGXMHVXYQBSK-SFYZADRCSA-N 0 1 284.272 -0.288 20 5 CBBDMN Nc1nc(NCCCc2nc(=O)[nH][nH]2)ncc1[N+](=O)[O-] ZINC000301453315 201014452 /nfs/dbraw/zinc/01/44/52/201014452.db2.gz VENZCOWUZWUTQR-UHFFFAOYSA-N 0 1 280.248 -0.577 20 5 CBBDMN O=C(NC[C@H](O)COCC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000344030774 217018676 /nfs/dbraw/zinc/01/86/76/217018676.db2.gz MJXIJZBSJVJDPE-QMMMGPOBSA-N 0 1 284.272 -0.165 20 5 CBBDMN CN1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000344057710 217030252 /nfs/dbraw/zinc/03/02/52/217030252.db2.gz LMZHDZOVMWHXDL-ZCFIWIBFSA-N 0 1 267.245 -0.332 20 5 CBBDMN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CC1[N+](=O)[O-] ZINC000361775028 373335212 /nfs/dbraw/zinc/33/52/12/373335212.db2.gz NFSKCCUAOBTDIV-KXUCPTDWSA-N 0 1 286.284 -0.310 20 5 CBBDMN CNC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000344976047 217376166 /nfs/dbraw/zinc/37/61/66/217376166.db2.gz MNGHCZUGJQLWKA-SSDOTTSWSA-N 0 1 296.287 -0.230 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000363595176 373501972 /nfs/dbraw/zinc/50/19/72/373501972.db2.gz LZSSZGLCSCEOLQ-CSMHCCOUSA-N 0 1 267.241 -0.942 20 5 CBBDMN COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000363332451 373487477 /nfs/dbraw/zinc/48/74/77/373487477.db2.gz YCWLEPIALSQAEF-HLTSFMKQSA-N 0 1 272.257 -0.558 20 5 CBBDMN COC(=O)C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCO1 ZINC000363332454 373487714 /nfs/dbraw/zinc/48/77/14/373487714.db2.gz YCWLEPIALSQAEF-VGMNWLOBSA-N 0 1 272.257 -0.558 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000554744084 374283076 /nfs/dbraw/zinc/28/30/76/374283076.db2.gz WBDPDCHIKUVTOO-KOLCDFICSA-N 0 1 270.289 -0.534 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)CC(=O)NC)c1[N+](=O)[O-] ZINC000264566610 190118952 /nfs/dbraw/zinc/11/89/52/190118952.db2.gz USDAOECXCDHATL-UHFFFAOYSA-N 0 1 269.261 -0.302 20 5 CBBDMN COC(=O)[C@@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356726207 248286186 /nfs/dbraw/zinc/28/61/86/248286186.db2.gz LCMGMGFLRVKFNC-VIFPVBQESA-N 0 1 284.224 -0.436 20 5 CBBDMN CCN(C)C(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356609688 248274242 /nfs/dbraw/zinc/27/42/42/248274242.db2.gz NWMJVPXJYJNPHC-LURJTMIESA-N 0 1 269.261 -0.086 20 5 CBBDMN CN1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)N1 ZINC000357460154 248364875 /nfs/dbraw/zinc/36/48/75/248364875.db2.gz QVKFKOCLVKPDGL-VIFPVBQESA-N 0 1 280.240 -0.625 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1 ZINC000374961005 248848363 /nfs/dbraw/zinc/84/83/63/248848363.db2.gz DWMKKGZNQAJDGC-BBBLOLIVSA-N 0 1 255.274 -0.805 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000347612282 218289716 /nfs/dbraw/zinc/28/97/16/218289716.db2.gz QFYNNOHBNNCPGS-LURJTMIESA-N 0 1 277.306 -0.563 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1[N+](=O)[O-] ZINC000431601521 208210832 /nfs/dbraw/zinc/21/08/32/208210832.db2.gz CUACKYSSXWEGQJ-ZETCQYMHSA-N 0 1 294.271 -0.524 20 5 CBBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)[C@H](O)C1 ZINC000278659521 285165080 /nfs/dbraw/zinc/16/50/80/285165080.db2.gz HTICRBQHTSHOIZ-YUSALJHKSA-N 0 1 298.295 -0.628 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331179347 533659958 /nfs/dbraw/zinc/65/99/58/533659958.db2.gz QZLAAURQEJXVFL-QMMMGPOBSA-N 0 1 297.315 -0.235 20 5 CBBDMN COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377482751 533650817 /nfs/dbraw/zinc/65/08/17/533650817.db2.gz SDMNHHMMDOHGIS-IWSPIJDZSA-N 0 1 272.257 -0.558 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](CO)OC[C@H]2C)c1[N+](=O)[O-] ZINC000494681760 533663249 /nfs/dbraw/zinc/66/32/49/533663249.db2.gz MILJGHMVXWVYGB-HTRCEHHLSA-N 0 1 284.272 -0.152 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1NCCN1CCN(C)CC1 ZINC000037497045 173235680 /nfs/dbraw/zinc/23/56/80/173235680.db2.gz BQMMMJVWCHHYDE-UHFFFAOYSA-N 0 1 268.321 -0.012 20 5 CBBDMN CN(CC(=O)N1CCNCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000038031224 174024528 /nfs/dbraw/zinc/02/45/28/174024528.db2.gz JESFNMRGTYAIAT-UHFFFAOYSA-N 0 1 296.283 -0.308 20 5 CBBDMN C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1)c1nn[nH]n1 ZINC000354790731 419856778 /nfs/dbraw/zinc/85/67/78/419856778.db2.gz NUSSICPGIZSAGI-YFKPBYRVSA-N 0 1 280.248 -0.293 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]C2CC([NH3+])C2)c([N+](=O)[O-])n1 ZINC000359287107 419956995 /nfs/dbraw/zinc/95/69/95/419956995.db2.gz NMVHJRBDTNHTQJ-UHFFFAOYSA-N 0 1 289.317 -0.421 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@]1(CO)CCOC1 ZINC000359608344 419976733 /nfs/dbraw/zinc/97/67/33/419976733.db2.gz ZAQFOFDBNDQLKL-ZDUSSCGKSA-N 0 1 297.311 -0.160 20 5 CBBDMN Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000364301129 420033253 /nfs/dbraw/zinc/03/32/53/420033253.db2.gz CPYRMIQESVANAL-VGMNWLOBSA-N 0 1 282.256 -0.057 20 5 CBBDMN CCNC(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364486696 420039720 /nfs/dbraw/zinc/03/97/20/420039720.db2.gz VGVMQGWDQPGXTE-WDEREUQCSA-N 0 1 298.343 -0.678 20 5 CBBDMN CCc1noc([C@]2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000365235759 420056928 /nfs/dbraw/zinc/05/69/28/420056928.db2.gz RWAUFCWWWYQMEW-LWINAJNOSA-N 0 1 296.283 -0.283 20 5 CBBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000365304353 420058246 /nfs/dbraw/zinc/05/82/46/420058246.db2.gz IVYGCGKQBLMJDA-IWSPIJDZSA-N 0 1 276.314 -0.313 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000365329002 420062292 /nfs/dbraw/zinc/06/22/92/420062292.db2.gz GYTMWSDSPKHKGT-RNKCWLNFSA-N 0 1 260.315 -0.121 20 5 CBBDMN CCOC(=O)C1(F)CN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000367272433 420100075 /nfs/dbraw/zinc/10/00/75/420100075.db2.gz UACHHEWEGYZELB-BQBZGAKWSA-N 0 1 260.221 -0.235 20 5 CBBDMN COCC[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368283226 420127579 /nfs/dbraw/zinc/12/75/79/420127579.db2.gz WRGDRDWTDNDBPZ-UTLUCORTSA-N 0 1 258.274 -0.085 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000366052573 420075775 /nfs/dbraw/zinc/07/57/75/420075775.db2.gz LSOIRLLVSICKNZ-HBNTYKKESA-N 0 1 269.301 -0.415 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000369340190 420157467 /nfs/dbraw/zinc/15/74/67/420157467.db2.gz ULZXRXISHVVGGI-USZNOCQGSA-N 0 1 294.311 -0.380 20 5 CBBDMN Nc1nc(N2CC[C@@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-] ZINC000425278608 420262938 /nfs/dbraw/zinc/26/29/38/420262938.db2.gz DPFQOUULJZUUMY-ZCFIWIBFSA-N 0 1 276.260 0.079 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C)[nH]2)n1 ZINC000427467846 420267389 /nfs/dbraw/zinc/26/73/89/420267389.db2.gz WZRQGKOXTNFXLB-UHFFFAOYSA-N 0 1 265.233 0.490 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(C)n2)n1 ZINC000427467846 420267392 /nfs/dbraw/zinc/26/73/92/420267392.db2.gz WZRQGKOXTNFXLB-UHFFFAOYSA-N 0 1 265.233 0.490 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000378047624 230310117 /nfs/dbraw/zinc/31/01/17/230310117.db2.gz JNTURNGGRMIKPT-CUAHWVMCSA-N 0 1 297.311 -0.406 20 5 CBBDMN CNc1nccc(C(=O)N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000571893875 420455562 /nfs/dbraw/zinc/45/55/62/420455562.db2.gz CQYMPGXXUNYKRN-UHFFFAOYSA-N 0 1 279.300 0.418 20 5 CBBDMN C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000519153494 265341121 /nfs/dbraw/zinc/34/11/21/265341121.db2.gz YMUDNDFFHKAYBA-UHFFFAOYSA-N 0 1 254.246 -0.013 20 5 CBBDMN NC(=O)N1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000365142476 303264359 /nfs/dbraw/zinc/26/43/59/303264359.db2.gz RUDKNITVCYFARU-JGVFFNPUSA-N 0 1 256.262 -0.735 20 5 CBBDMN CC[C@@H]1CN(C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000563645574 328080687 /nfs/dbraw/zinc/08/06/87/328080687.db2.gz FGGUXFZLCYBBMW-SECBINFHSA-N 0 1 282.304 -0.261 20 5 CBBDMN CC1(C(N)=O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574077956 327287722 /nfs/dbraw/zinc/28/77/22/327287722.db2.gz GNILTWSISAPCAF-UHFFFAOYSA-N 0 1 253.262 -0.402 20 5 CBBDMN CO[C@H]1C[C@@H](C(=O)[O-])[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000574697359 327366740 /nfs/dbraw/zinc/36/67/40/327366740.db2.gz RACPAJKPNWTRFX-UWVGGRQHSA-N 0 1 284.272 -0.035 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000579714780 327406854 /nfs/dbraw/zinc/40/68/54/327406854.db2.gz VUXLCPBWDDVANW-UWVGGRQHSA-N 0 1 294.311 -0.035 20 5 CBBDMN [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000583023874 329299215 /nfs/dbraw/zinc/29/92/15/329299215.db2.gz RHAUAECAJHESPJ-QMMMGPOBSA-N 0 1 282.256 -0.505 20 5 CBBDMN COCCN1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000564188811 333240620 /nfs/dbraw/zinc/24/06/20/333240620.db2.gz PUQHZCLKJOXOKF-MRVPVSSYSA-N 0 1 283.288 -0.232 20 5 CBBDMN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1nn[nH]n1 ZINC000339183081 534323233 /nfs/dbraw/zinc/32/32/33/534323233.db2.gz XCNHQLROMQVWSM-UHFFFAOYSA-N 0 1 289.211 -0.027 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@]12CCOC2 ZINC000367010905 534601917 /nfs/dbraw/zinc/60/19/17/534601917.db2.gz OHKTZPWWIGWEKH-WCABBAIRSA-N 0 1 256.258 -0.331 20 5 CBBDMN CC(C)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000490298647 528723450 /nfs/dbraw/zinc/72/34/50/528723450.db2.gz KTSKFNLLSKROKU-JTQLQIEISA-N 0 1 296.331 -0.015 20 5 CBBDMN COC(=O)[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356726204 536751811 /nfs/dbraw/zinc/75/18/11/536751811.db2.gz LCMGMGFLRVKFNC-SECBINFHSA-N 0 1 284.224 -0.436 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)OCCc1c[nH]nn1 ZINC000735142813 582179538 /nfs/dbraw/zinc/17/95/38/582179538.db2.gz RZMOBMQTOKKFJF-UHFFFAOYSA-N 0 1 266.217 -0.305 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)OCCc1cnn[nH]1 ZINC000735142813 582179540 /nfs/dbraw/zinc/17/95/40/582179540.db2.gz RZMOBMQTOKKFJF-UHFFFAOYSA-N 0 1 266.217 -0.305 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000783760131 582372756 /nfs/dbraw/zinc/37/27/56/582372756.db2.gz NJBYZWDXQXKSNB-LURJTMIESA-N 0 1 281.272 -0.071 20 5 CBBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000817772430 582493617 /nfs/dbraw/zinc/49/36/17/582493617.db2.gz ZEFAGJXHXAYJSU-IONNQARKSA-N 0 1 272.261 -0.443 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2cn[nH]c2)CC1 ZINC000823012852 582655498 /nfs/dbraw/zinc/65/54/98/582655498.db2.gz GPOULUQEEKLMHC-GHMZBOCLSA-N 0 1 279.300 -0.281 20 5 CBBDMN NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826394899 582771871 /nfs/dbraw/zinc/77/18/71/582771871.db2.gz DEQLITALCRSFFH-UHFFFAOYSA-N 0 1 270.230 -0.578 20 5 CBBDMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000828024251 582840584 /nfs/dbraw/zinc/84/05/84/582840584.db2.gz KHLLJHFWIJTWMN-PWSUYJOCSA-N 0 1 298.299 -0.051 20 5 CBBDMN CCC[N@H+](CC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000829473170 582888165 /nfs/dbraw/zinc/88/81/65/582888165.db2.gz NCLVBYLXBDBVBL-SNVBAGLBSA-N 0 1 286.288 -0.051 20 5 CBBDMN CCC[N@H+](CC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000829473168 582888244 /nfs/dbraw/zinc/88/82/44/582888244.db2.gz NCLVBYLXBDBVBL-JTQLQIEISA-N 0 1 286.288 -0.051 20 5 CBBDMN Cn1[nH]c(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1=N ZINC000834858171 583137685 /nfs/dbraw/zinc/13/76/85/583137685.db2.gz SRJDDIQPPORERI-RKDXNWHRSA-N 0 1 294.315 -0.401 20 5 CBBDMN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000839463223 583156299 /nfs/dbraw/zinc/15/62/99/583156299.db2.gz AZUQLQRCPGQWAC-DGAHNEANSA-N 0 1 270.245 -0.597 20 5 CBBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC000839555713 583156438 /nfs/dbraw/zinc/15/64/38/583156438.db2.gz DFQIKJXCLPKUAO-RKDXNWHRSA-N 0 1 293.345 -0.561 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cccnn2)CC1 ZINC000839622470 583156864 /nfs/dbraw/zinc/15/68/64/583156864.db2.gz RWHIWWPDBMOTCR-NXEZZACHSA-N 0 1 277.284 -0.210 20 5 CBBDMN COC(=O)CSCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839658482 583157298 /nfs/dbraw/zinc/15/72/98/583157298.db2.gz NRYZTAFALVWDQM-RNFRBKRXSA-N 0 1 262.287 -0.326 20 5 CBBDMN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686140 583157684 /nfs/dbraw/zinc/15/76/84/583157684.db2.gz LEVBBTKQBUVKIH-RBXMUDONSA-N 0 1 276.314 -0.314 20 5 CBBDMN Cc1nnc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC000839686422 583157852 /nfs/dbraw/zinc/15/78/52/583157852.db2.gz XIQYXCJTXGTCTO-NXEZZACHSA-N 0 1 294.315 -0.577 20 5 CBBDMN CNC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839696980 583158159 /nfs/dbraw/zinc/15/81/59/583158159.db2.gz VZWNDAXNWNTDSP-HTQZYQBOSA-N 0 1 256.262 -0.865 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2CC2)C(=O)C1 ZINC000839699699 583158180 /nfs/dbraw/zinc/15/81/80/583158180.db2.gz YUGIMJNEGUTBIM-RKDXNWHRSA-N 0 1 253.258 -0.515 20 5 CBBDMN CCCN(CC(=O)N(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714383 583158412 /nfs/dbraw/zinc/15/84/12/583158412.db2.gz DJTXXXBKUDRYIH-RKDXNWHRSA-N 0 1 257.290 -0.022 20 5 CBBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000839720509 583158560 /nfs/dbraw/zinc/15/85/60/583158560.db2.gz IAJMEBPIZRDOJG-DJLDLDEBSA-N 0 1 291.329 -0.856 20 5 CBBDMN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839729851 583158693 /nfs/dbraw/zinc/15/86/93/583158693.db2.gz BBQZNTFOBYOSIC-NXEZZACHSA-N 0 1 299.327 -0.253 20 5 CBBDMN CCO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726182 583158757 /nfs/dbraw/zinc/15/87/57/583158757.db2.gz NVWOYOOQTUVLPR-ZYUZMQFOSA-N 0 1 258.274 -0.038 20 5 CBBDMN COCCO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839731562 583158767 /nfs/dbraw/zinc/15/87/67/583158767.db2.gz SVZWVVMBFPKZAB-OPRDCNLKSA-N 0 1 258.274 -0.085 20 5 CBBDMN CCNC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839779164 583159741 /nfs/dbraw/zinc/15/97/41/583159741.db2.gz UINIULCVFIDLFM-HLTSFMKQSA-N 0 1 257.290 -0.072 20 5 CBBDMN CO[C@@H]1COCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783669 583160087 /nfs/dbraw/zinc/16/00/87/583160087.db2.gz JZDXGELBDKKLQV-ZYUZMQFOSA-N 0 1 258.274 -0.181 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C[C@@H]2CCCO2)CC1 ZINC000840242651 583163493 /nfs/dbraw/zinc/16/34/93/583163493.db2.gz ZWBBDQWKYVBBPM-QJPTWQEYSA-N 0 1 283.328 -0.025 20 5 CBBDMN CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840308489 583163757 /nfs/dbraw/zinc/16/37/57/583163757.db2.gz UNXKKINKPKGSID-BWZBUEFSSA-N 0 1 273.314 -0.359 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000840300713 583163898 /nfs/dbraw/zinc/16/38/98/583163898.db2.gz LZSSZGLCSCEOLQ-BWZBUEFSSA-N 0 1 267.241 -0.942 20 5 CBBDMN CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840361311 583164355 /nfs/dbraw/zinc/16/43/55/583164355.db2.gz VUXDGUSAXGZVPM-BWZBUEFSSA-N 0 1 294.354 -0.402 20 5 CBBDMN COC(=O)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000840411081 583164912 /nfs/dbraw/zinc/16/49/12/583164912.db2.gz SZMLJIMGAPQICC-GMTAPVOTSA-N 0 1 299.327 -0.253 20 5 CBBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000840671979 583166253 /nfs/dbraw/zinc/16/62/53/583166253.db2.gz AMSMYOMAHUPQQW-LPBLVHEISA-N 0 1 285.256 -0.429 20 5 CBBDMN O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670219 583166357 /nfs/dbraw/zinc/16/63/57/583166357.db2.gz DCROEYKTMCARSD-RNFRBKRXSA-N 0 1 270.201 0.000 20 5 CBBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000840673237 583166536 /nfs/dbraw/zinc/16/65/36/583166536.db2.gz VGKLSBVTIVZAQQ-UTINFBMNSA-N 0 1 286.284 -0.122 20 5 CBBDMN CCn1ncc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000842104410 583179263 /nfs/dbraw/zinc/17/92/63/583179263.db2.gz OTWUAYKIZZGCTO-HTRCEHHLSA-N 0 1 268.229 -0.311 20 5 CBBDMN Cn1cc(C[C@H](CO)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000846647231 583379268 /nfs/dbraw/zinc/37/92/68/583379268.db2.gz YSUNFLBRPXMMKH-HBNTYKKESA-N 0 1 282.300 -0.648 20 5 CBBDMN CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000846654347 583380211 /nfs/dbraw/zinc/38/02/11/583380211.db2.gz HVJYMUPYJYQILC-HTQZYQBOSA-N 0 1 278.330 -0.019 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(N2CN=NC2=O)CC1 ZINC000848019145 583420950 /nfs/dbraw/zinc/42/09/50/583420950.db2.gz HOPZSCYNEFVLRP-RKDXNWHRSA-N 0 1 281.272 -0.188 20 5 CBBDMN O=C(N[C@@H](CO)Cc1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC000848374311 583443900 /nfs/dbraw/zinc/44/39/00/583443900.db2.gz FSQYOVHYTZOELD-GMTAPVOTSA-N 0 1 265.269 -0.234 20 5 CBBDMN CON1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000854860951 583625926 /nfs/dbraw/zinc/62/59/26/583625926.db2.gz TYGBGUDYZMNRDD-UHFFFAOYSA-N 0 1 269.261 -0.054 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](Cn2ccnn2)C1 ZINC000855235875 583635659 /nfs/dbraw/zinc/63/56/59/583635659.db2.gz QGVWABUGNMWZGA-IVZWLZJFSA-N 0 1 265.273 -0.208 20 5 CBBDMN C[C@@H]1CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855405960 583637373 /nfs/dbraw/zinc/63/73/73/583637373.db2.gz BFKGWKHOGUUEHD-LNFKQOIKSA-N 0 1 271.317 -0.123 20 5 CBBDMN COC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000855446906 583640258 /nfs/dbraw/zinc/64/02/58/583640258.db2.gz JZLHJDCVSVMXDE-NXEZZACHSA-N 0 1 286.284 -0.168 20 5 CBBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC000856435716 583659001 /nfs/dbraw/zinc/65/90/01/583659001.db2.gz QBCLWLDYRBAQLV-FSDSQADBSA-N 0 1 250.276 -0.799 20 5 CBBDMN Nc1ncc2c(n1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000857969352 583685662 /nfs/dbraw/zinc/68/56/62/583685662.db2.gz WTHOWULXDFWQAM-VXNVDRBHSA-N 0 1 263.257 -0.391 20 5 CBBDMN NC(=O)N1CCC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000860983918 583759214 /nfs/dbraw/zinc/75/92/14/583759214.db2.gz FLWJXTFNEXHGFB-XLPZGREQSA-N 0 1 257.246 -0.262 20 5 CBBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000870045683 584007293 /nfs/dbraw/zinc/00/72/93/584007293.db2.gz FUGGBDHAFGNFMS-XLPZGREQSA-N 0 1 262.287 -0.703 20 5 CBBDMN Cc1nnc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC000880576163 584283282 /nfs/dbraw/zinc/28/32/82/584283282.db2.gz SBHMXGBAIMOONA-NXEZZACHSA-N 0 1 294.315 -0.563 20 5 CBBDMN CO[C@@H]1COCC[C@@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882373866 584316275 /nfs/dbraw/zinc/31/62/75/584316275.db2.gz CDLRPPDXEANKBE-UTINFBMNSA-N 0 1 258.274 -0.086 20 5 CBBDMN COC(=O)[C@@]1(C)C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC000893574571 584642675 /nfs/dbraw/zinc/64/26/75/584642675.db2.gz KZVUVLDPFXIIEB-MFYTUXHUSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=[N+]([O-])c1ccc(-n2cnc(-c3nn[nH]n3)n2)cn1 ZINC000738359549 599265941 /nfs/dbraw/zinc/26/59/41/599265941.db2.gz JDCPFFKMDYREMO-UHFFFAOYSA-N 0 1 259.189 -0.249 20 5 CBBDMN CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979739467 614056998 /nfs/dbraw/zinc/05/69/98/614056998.db2.gz QLTXULDKNIOGLV-ZYUZMQFOSA-N 0 1 255.274 -0.318 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(F)F)C1 ZINC000954240018 615867287 /nfs/dbraw/zinc/86/72/87/615867287.db2.gz KFIUZQWHKVIOBP-RNFRBKRXSA-N 0 1 277.227 -0.414 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccon2)C1 ZINC000954235498 615867445 /nfs/dbraw/zinc/86/74/45/615867445.db2.gz XPVFLOOGWMKUKT-PSASIEDQSA-N 0 1 294.267 -0.377 20 5 CBBDMN O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000909395050 656809924 /nfs/dbraw/zinc/80/99/24/656809924.db2.gz MAXHFEQIHUQREC-ZOZBQHSOSA-N 0 1 257.242 -0.001 20 5 CBBDMN C[C@@H]1NC(=O)[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000911805514 657134652 /nfs/dbraw/zinc/13/46/52/657134652.db2.gz AQFWTKGSNGSMMR-OAHBRNHXSA-N 0 1 255.274 -0.225 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2)cn1 ZINC000913456560 657456876 /nfs/dbraw/zinc/45/68/76/657456876.db2.gz LVQSHODCIVBVLN-OUAUKWLOSA-N 0 1 279.300 -0.442 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000922431292 658040973 /nfs/dbraw/zinc/04/09/73/658040973.db2.gz JAGRDUDDWZWCAZ-KYXWUPHJSA-N 0 1 267.285 -0.221 20 5 CBBDMN CN1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000928563778 659046946 /nfs/dbraw/zinc/04/69/46/659046946.db2.gz RINICIQSAGTWDG-SECBINFHSA-N 0 1 280.284 -0.423 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)F ZINC000973764051 659149178 /nfs/dbraw/zinc/14/91/78/659149178.db2.gz CDQIBQKLEGWVEQ-XZBKPIIZSA-N 0 1 277.227 -0.320 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2cnon2)CC1 ZINC000981138437 659309246 /nfs/dbraw/zinc/30/92/46/659309246.db2.gz SFCGPZAEKBGUMH-GHMZBOCLSA-N 0 1 295.299 -0.231 20 5 CBBDMN CN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CO ZINC000931407302 659454875 /nfs/dbraw/zinc/45/48/75/659454875.db2.gz HNPUUDVFGMLKNC-JTQLQIEISA-N 0 1 269.305 -0.600 20 5 CBBDMN CC(F)(F)C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990053687 659659662 /nfs/dbraw/zinc/65/96/62/659659662.db2.gz GUBSTTIWQFHKLV-RNFRBKRXSA-N 0 1 277.227 -0.366 20 5 CBBDMN Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000990201362 659698953 /nfs/dbraw/zinc/69/89/53/659698953.db2.gz GEFUBFAUUPKHNT-NXEZZACHSA-N 0 1 293.283 -0.974 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC000990226325 659701103 /nfs/dbraw/zinc/70/11/03/659701103.db2.gz PIAYBPVKZOEWKF-PSASIEDQSA-N 0 1 278.268 -0.380 20 5 CBBDMN CC(C)C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990267321 659707147 /nfs/dbraw/zinc/70/71/47/659707147.db2.gz WYQKARHXFCSMNM-RKDXNWHRSA-N 0 1 255.274 -0.365 20 5 CBBDMN Cn1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991282134 659829540 /nfs/dbraw/zinc/82/95/40/659829540.db2.gz WSFLUOXPCMTOJY-GHMZBOCLSA-N 0 1 292.295 -0.369 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccco2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991281343 659829658 /nfs/dbraw/zinc/82/96/58/659829658.db2.gz SEIKXUKADOSENW-RKDXNWHRSA-N 0 1 279.252 -0.115 20 5 CBBDMN O=C(NC1CN(C(=O)c2cnccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991280327 659829669 /nfs/dbraw/zinc/82/96/69/659829669.db2.gz PECWAWWPIXQVOC-PSASIEDQSA-N 0 1 291.267 -0.918 20 5 CBBDMN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC000991282128 659829890 /nfs/dbraw/zinc/82/98/90/659829890.db2.gz WPVUBFXQANXQRT-PSASIEDQSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(Cc1ccoc1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991282136 659829936 /nfs/dbraw/zinc/82/99/36/659829936.db2.gz WSGWQNPITYOIDZ-GHMZBOCLSA-N 0 1 293.279 -0.186 20 5 CBBDMN O=C(NC1CN(C(=O)c2cc[nH]c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991291628 659830359 /nfs/dbraw/zinc/83/03/59/659830359.db2.gz WQNVDVUPPQGATR-NXEZZACHSA-N 0 1 278.268 -0.380 20 5 CBBDMN Cn1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000991291560 659830374 /nfs/dbraw/zinc/83/03/74/659830374.db2.gz VSGXSIDXIRZYCN-PSASIEDQSA-N 0 1 293.283 -0.974 20 5 CBBDMN Cc1cnoc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991292261 659830815 /nfs/dbraw/zinc/83/08/15/659830815.db2.gz FBWZCSPRXIISHA-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(NC1CN(C(=O)C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991299438 659831395 /nfs/dbraw/zinc/83/13/95/659831395.db2.gz VPCDGUKTRSCSIW-RKDXNWHRSA-N 0 1 253.258 -0.611 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC000993690876 659872043 /nfs/dbraw/zinc/87/20/43/659872043.db2.gz SXTLLXRTYIPBDZ-NXEZZACHSA-N 0 1 278.268 -0.380 20 5 CBBDMN Cn1cncc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000995020693 659889919 /nfs/dbraw/zinc/88/99/19/659889919.db2.gz JVXIRQRFZOZESD-RKDXNWHRSA-N 0 1 293.283 -0.974 20 5 CBBDMN COc1nc(N2C[C@@H]3[C@H](C2)OCCN3C)ncc1[N+](=O)[O-] ZINC001164667111 719368697 /nfs/dbraw/zinc/36/86/97/719368697.db2.gz IBYMRGQTPSWDLP-ZJUUUORDSA-N 0 1 295.299 -0.087 20 5 CBBDMN COc1nc(N2C[C@H]3OCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164667110 719369169 /nfs/dbraw/zinc/36/91/69/719369169.db2.gz IBYMRGQTPSWDLP-VHSXEESVSA-N 0 1 295.299 -0.087 20 5 CBBDMN O=C(NC1CN(Cc2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292533 799290311 /nfs/dbraw/zinc/29/03/11/799290311.db2.gz NFMQEXJGDFFDTA-NXEZZACHSA-N 0 1 266.257 -0.360 20 5 CBBDMN Cn1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001030292675 799290715 /nfs/dbraw/zinc/29/07/15/799290715.db2.gz RQWVOUKEZXLSHQ-GHMZBOCLSA-N 0 1 279.300 -0.614 20 5 CBBDMN O=C(NC1CN(CCn2cccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293487 799291605 /nfs/dbraw/zinc/29/16/05/799291605.db2.gz LUTWGSBAAFQTHB-GHMZBOCLSA-N 0 1 279.300 -0.651 20 5 CBBDMN Cc1nocc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292792 799292114 /nfs/dbraw/zinc/29/21/14/799292114.db2.gz VXUVLVURJDUCTK-GHMZBOCLSA-N 0 1 280.284 -0.051 20 5 CBBDMN O=C(NCC1CN(Cc2cnon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662516 799530204 /nfs/dbraw/zinc/53/02/04/799530204.db2.gz FTPZWWRUSHVJHG-NXEZZACHSA-N 0 1 281.272 -0.717 20 5 CBBDMN Cn1cnnc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662064 799530345 /nfs/dbraw/zinc/53/03/45/799530345.db2.gz SKOKHZUAMNLQJR-NXEZZACHSA-N 0 1 294.315 -0.972 20 5 CBBDMN Cc1nonc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661893 799530680 /nfs/dbraw/zinc/53/06/80/799530680.db2.gz MFIVYVSPLONMFT-MWLCHTKSSA-N 0 1 295.299 -0.409 20 5 CBBDMN NC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035704771 799960572 /nfs/dbraw/zinc/96/05/72/799960572.db2.gz XOLOEAIZUPRALK-NXEZZACHSA-N 0 1 296.327 -0.939 20 5 CBBDMN CCCN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001053253468 802244437 /nfs/dbraw/zinc/24/44/37/802244437.db2.gz KXMFQTGDRIUUMA-GHMZBOCLSA-N 0 1 283.328 -0.025 20 5 CBBDMN CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057544584 802514308 /nfs/dbraw/zinc/51/43/08/802514308.db2.gz JECRZQFBEOEQGK-NXEZZACHSA-N 0 1 299.327 -0.611 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001152823909 815137187 /nfs/dbraw/zinc/13/71/87/815137187.db2.gz TZUOCLQXLCFEHH-ZYUZMQFOSA-N 0 1 283.284 -0.842 20 5 CBBDMN NCc1nnnn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001158074647 815501720 /nfs/dbraw/zinc/50/17/20/815501720.db2.gz HJXPFUFUDQGUMV-UHFFFAOYSA-N 0 1 272.228 -0.028 20 5 CBBDMN NCc1nnnn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158075177 815502110 /nfs/dbraw/zinc/50/21/10/815502110.db2.gz XZFVTJTXSATHGG-UHFFFAOYSA-N 0 1 272.228 -0.028 20 5 CBBDMN O=C(N[C@]1(CO)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116585140 812280798 /nfs/dbraw/zinc/28/07/98/812280798.db2.gz RPPXDQRKWVQFIM-VIFPVBQESA-N 0 1 256.218 -0.801 20 5 CBBDMN O=C(NCc1ncc2c(n1)CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC001118271795 812515117 /nfs/dbraw/zinc/51/51/17/812515117.db2.gz AZJGUKSYWMCUJE-PSASIEDQSA-N 0 1 278.268 -0.169 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118382774 812542452 /nfs/dbraw/zinc/54/24/52/812542452.db2.gz PPCHMVMUBCBLHF-DTWKUNHWSA-N 0 1 295.299 -0.781 20 5 CBBDMN Cc1nonc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126931841 813694493 /nfs/dbraw/zinc/69/44/93/813694493.db2.gz BKTVTXMGNQEJLR-VXNVDRBHSA-N 0 1 269.261 -0.751 20 5 CBBDMN CCc1noc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126938913 813696905 /nfs/dbraw/zinc/69/69/05/813696905.db2.gz MUTXDWUORQUXSL-HTQZYQBOSA-N 0 1 283.288 -0.497 20 5 CBBDMN O=C(NCCNCc1cnsn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936273 813698062 /nfs/dbraw/zinc/69/80/62/813698062.db2.gz DQDJFSMBOLYSKD-HTQZYQBOSA-N 0 1 271.302 -0.591 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001128398758 813773993 /nfs/dbraw/zinc/77/39/93/813773993.db2.gz ULMURGIENXGOFT-LURQLKTLSA-N 0 1 269.257 -0.392 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(C2CS(=O)(=O)C2)C1 ZINC001141256707 814650895 /nfs/dbraw/zinc/65/08/95/814650895.db2.gz MKMVCJXWEJBVSE-RKDXNWHRSA-N 0 1 274.298 -0.845 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC001161588443 815773200 /nfs/dbraw/zinc/77/32/00/815773200.db2.gz VGOYAMVDMAZCIS-YUMQZZPRSA-N 0 1 284.272 -0.152 20 5 CBBDMN COc1nc(-n2c(C)nnc2CN)nc(OC)c1[N+](=O)[O-] ZINC001163348821 815880759 /nfs/dbraw/zinc/88/07/59/815880759.db2.gz VIKJNPBROPSPAU-UHFFFAOYSA-N 0 1 295.259 -0.250 20 5 CBBDMN O=C1NC(=O)[C@H](Nc2c[n+]([O-])ccc2[N+](=O)[O-])S1 ZINC001163666686 815895120 /nfs/dbraw/zinc/89/51/20/815895120.db2.gz NHZVXPFITWFASY-SSDOTTSWSA-N 0 1 270.226 -0.051 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn(C)n1 ZINC001296065191 816598708 /nfs/dbraw/zinc/59/87/08/816598708.db2.gz OZJGMQSDCLDAFU-PSASIEDQSA-N 0 1 295.299 -0.727 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1n[nH]cc1F ZINC001296065173 816598765 /nfs/dbraw/zinc/59/87/65/816598765.db2.gz ODBRQPHRHJUZQK-HTRCEHHLSA-N 0 1 299.262 -0.598 20 5 CBBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cocn1 ZINC001298308315 816677131 /nfs/dbraw/zinc/67/71/31/816677131.db2.gz NMFWUVZLPDSRAY-ZYFAAYQBSA-N 0 1 294.267 -0.258 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001301426379 816746924 /nfs/dbraw/zinc/74/69/24/816746924.db2.gz AQCMGHXJDOBRKX-YUMQZZPRSA-N 0 1 284.272 -0.701 20 5 CBBDMN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001302574068 816755733 /nfs/dbraw/zinc/75/57/33/816755733.db2.gz NCKVMIXZYWAPID-FNCVBFRFSA-N 0 1 272.257 -0.654 20 5 CBBDMN O=C(N[C@H]1Cc2cnccc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001303215099 816763496 /nfs/dbraw/zinc/76/34/96/816763496.db2.gz ULUHXVHNUFKPSP-FKTZTGRPSA-N 0 1 276.252 -0.274 20 5 CBBDMN COC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC(CO)C1 ZINC001305502735 816788216 /nfs/dbraw/zinc/78/82/16/816788216.db2.gz SKWBDBAKCYVOIU-YFHNAJJPSA-N 0 1 272.257 -0.918 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](CCO)[C@H](CO)C1 ZINC001305755539 816789341 /nfs/dbraw/zinc/78/93/41/816789341.db2.gz YNQDSOXUMMCKSQ-AXTSPUMRSA-N 0 1 258.274 -0.899 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(NCCN2CC[C@@H](O)C2)n1 ZINC001307182807 816798262 /nfs/dbraw/zinc/79/82/62/816798262.db2.gz SZDVQZQKFSQQGH-MRVPVSSYSA-N 0 1 255.278 -0.193 20 5 CBBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001309458455 816830149 /nfs/dbraw/zinc/83/01/49/816830149.db2.gz NEIGWZBEVLYWLH-UHFFFAOYSA-N 0 1 298.284 -0.071 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CCC1 ZINC001319433967 817203527 /nfs/dbraw/zinc/20/35/27/817203527.db2.gz NXICZJDVPRBUAY-UHFFFAOYSA-N 0 1 254.250 -0.992 20 5 CBBDMN O=C(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCOCC1 ZINC001319829934 817245681 /nfs/dbraw/zinc/24/56/81/817245681.db2.gz IMSHIUDDCTURMS-UHFFFAOYSA-N 0 1 297.271 -0.703 20 5 CBBDMN O=C(NC[C@@H]1COCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001319837616 817246675 /nfs/dbraw/zinc/24/66/75/817246675.db2.gz ZQUMSSDDIKKSLS-ZCFIWIBFSA-N 0 1 256.218 -0.537 20 5 CBBDMN COC[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319847903 817247119 /nfs/dbraw/zinc/24/71/19/817247119.db2.gz QGXIBEHJZYHJBC-VIFPVBQESA-N 0 1 258.234 -0.555 20 5 CBBDMN C[C@@H](Cn1cncn1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319871912 817249337 /nfs/dbraw/zinc/24/93/37/817249337.db2.gz VYAHLIZYPCGBAB-LURJTMIESA-N 0 1 265.233 -0.272 20 5 CBBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001320000241 817265978 /nfs/dbraw/zinc/26/59/78/817265978.db2.gz PBJKMZWHWDHBEV-VXGBXAGGSA-N 0 1 295.343 -0.025 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1nnc[nH]1 ZINC001320128868 817280925 /nfs/dbraw/zinc/28/09/25/817280925.db2.gz SXLKLLUCJGWGFA-UHFFFAOYSA-N 0 1 279.260 -0.076 20 5 CBBDMN CC(C)(CS(C)(=O)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001320167323 817284768 /nfs/dbraw/zinc/28/47/68/817284768.db2.gz SNSZFQOMGIKWPD-UHFFFAOYSA-N 0 1 290.301 -0.129 20 5 CBBDMN Cc1nc(N(C2CNC2)S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001166972026 820057595 /nfs/dbraw/zinc/05/75/95/820057595.db2.gz ONSQPRCARZYTIZ-UHFFFAOYSA-N 0 1 287.301 -0.569 20 5 CBBDMN COc1cc([N+](=O)[O-])cnc1-n1nnnc1CN ZINC001168917603 820190245 /nfs/dbraw/zinc/19/02/45/820190245.db2.gz KHNDZEXLZQORFK-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN COc1ccnc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001168919210 820191508 /nfs/dbraw/zinc/19/15/08/820191508.db2.gz WCNNQGOPWHOJQY-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN O=C1CN(C2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038459 820201523 /nfs/dbraw/zinc/20/15/23/820201523.db2.gz YXSICHFXURSKON-GHMZBOCLSA-N 0 1 282.344 -0.452 20 5 CBBDMN CO[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC001170299953 820286508 /nfs/dbraw/zinc/28/65/08/820286508.db2.gz IFTORPNBASJFCQ-RKDXNWHRSA-N 0 1 256.262 -0.517 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CC[C@@H](O)C1 ZINC001170535287 820301099 /nfs/dbraw/zinc/30/10/99/820301099.db2.gz MKAAVJLIMMGGQX-SNVBAGLBSA-N 0 1 297.315 -0.717 20 5 CBBDMN O=C(NCCNC(=O)C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001282884741 828461373 /nfs/dbraw/zinc/46/13/73/828461373.db2.gz IJWPKYAFPDJDAA-NXEZZACHSA-N 0 1 285.300 -0.689 20 5 CBBDMN CN(CCNC(=O)c1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284501817 828604019 /nfs/dbraw/zinc/60/40/19/828604019.db2.gz UAMWBULQFOMDEM-VXNVDRBHSA-N 0 1 282.256 -0.472 20 5 CBBDMN COC(=O)[C@@]1(O)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001197266324 824185799 /nfs/dbraw/zinc/18/57/99/824185799.db2.gz WVQUWEQNZHWCHV-GFCCVEGCSA-N 0 1 298.299 -0.290 20 5 CBBDMN O=C(COCC1CC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284900304 828631697 /nfs/dbraw/zinc/63/16/97/828631697.db2.gz KHPDPBWKRAFIQI-GHMZBOCLSA-N 0 1 297.311 -0.595 20 5 CBBDMN Cc1nc(O[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378668 825331571 /nfs/dbraw/zinc/33/15/71/825331571.db2.gz ITPOBZOHFFYKGH-ZCFIWIBFSA-N 0 1 289.269 -0.035 20 5 CBBDMN Cc1nc(OC[C@H]2OCCN(C)C2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382932 825331822 /nfs/dbraw/zinc/33/18/22/825331822.db2.gz XTUOYVQZWGQVQU-SSDOTTSWSA-N 0 1 298.255 -0.365 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncn(C)n1 ZINC001255390810 825981623 /nfs/dbraw/zinc/98/16/23/825981623.db2.gz IXXVGJBSMJCXOZ-YFKPBYRVSA-N 0 1 265.233 -0.063 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001264375559 826805068 /nfs/dbraw/zinc/80/50/68/826805068.db2.gz HVOAOIQQZGKCMA-OPRDCNLKSA-N 0 1 288.325 -0.170 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnnn1C ZINC001266273660 826969391 /nfs/dbraw/zinc/96/93/91/826969391.db2.gz WUGCXAFLUCGTPO-NXEZZACHSA-N 0 1 282.304 -0.972 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C[C@@H]2CO)c1 ZINC001175678144 884694954 /nfs/dbraw/zinc/69/49/54/884694954.db2.gz MLDUXHNVKMTHGO-KOLCDFICSA-N 0 1 268.273 -0.615 20 5 CBBDMN O=C(NCC[C@@]1(O)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001346295331 890262036 /nfs/dbraw/zinc/26/20/36/890262036.db2.gz PMZSVUJXQTYHTC-SNVBAGLBSA-N 0 1 270.245 -0.411 20 5 CBBDMN CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042974476 884623606 /nfs/dbraw/zinc/62/36/06/884623606.db2.gz GFVMBAZGIMHNQL-NXEZZACHSA-N 0 1 299.327 -0.469 20 5 CBBDMN COC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001326005960 884871658 /nfs/dbraw/zinc/87/16/58/884871658.db2.gz CBEDRAQQOBUPLR-RKDXNWHRSA-N 0 1 271.273 -0.048 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCCCc2nc[nH]n2)n1 ZINC001326575361 885071336 /nfs/dbraw/zinc/07/13/36/885071336.db2.gz VXAQKXWBKNSQKH-UHFFFAOYSA-N 0 1 279.260 -0.191 20 5 CBBDMN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)N1CCNCC1 ZINC001326807041 885159254 /nfs/dbraw/zinc/15/92/54/885159254.db2.gz ZFQBIKNKDZBTAL-UHFFFAOYSA-N 0 1 280.284 -0.503 20 5 CBBDMN O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C1(O)CNC1 ZINC001327918198 885527173 /nfs/dbraw/zinc/52/71/73/885527173.db2.gz NWINTQSUIOEQKZ-UHFFFAOYSA-N 0 1 277.280 -0.186 20 5 CBBDMN Cc1nn(C)c(C(=O)NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001329627327 886152344 /nfs/dbraw/zinc/15/23/44/886152344.db2.gz ZQTNQZKAXUMTNB-VIFPVBQESA-N 0 1 297.315 -0.567 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CC[C@H](O)C1 ZINC001329626611 886152879 /nfs/dbraw/zinc/15/28/79/886152879.db2.gz RORDOGYCJGSCEH-QMMMGPOBSA-N 0 1 283.288 -0.875 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001331997184 887079399 /nfs/dbraw/zinc/07/93/99/887079399.db2.gz PBHHLLNSLCTOTG-QMMMGPOBSA-N 0 1 291.271 -0.075 20 5 CBBDMN C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1C ZINC001332477417 887310618 /nfs/dbraw/zinc/31/06/18/887310618.db2.gz KDFPVPVWZOHNPX-ZJUUUORDSA-N 0 1 294.311 -0.035 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)OCc1nnc[nH]1 ZINC001333182338 887555250 /nfs/dbraw/zinc/55/52/50/887555250.db2.gz PHKHRCJMFPDQEL-UHFFFAOYSA-N 0 1 252.190 -0.347 20 5 CBBDMN CCc1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC001348510249 890638273 /nfs/dbraw/zinc/63/82/73/890638273.db2.gz NADGMQZISPWIDX-PSASIEDQSA-N 0 1 295.299 -0.517 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1=CCOCC1 ZINC001349933256 890915735 /nfs/dbraw/zinc/91/57/35/890915735.db2.gz MNUITPYIDPBIJS-GHMZBOCLSA-N 0 1 297.311 -0.379 20 5 CBBDMN CCN(CCCNC(=O)COC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001352006400 891215610 /nfs/dbraw/zinc/21/56/10/891215610.db2.gz MYUKVLYEOHGVCW-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncn1C ZINC001355591329 891691881 /nfs/dbraw/zinc/69/18/81/891691881.db2.gz ANBYBHXKYIABOB-RKDXNWHRSA-N 0 1 295.299 -0.727 20 5 CBBDMN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356541432 891776958 /nfs/dbraw/zinc/77/69/58/891776958.db2.gz RPUAVEAEXIJIQX-LURQLKTLSA-N 0 1 255.274 -0.318 20 5 CBBDMN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356541430 891777665 /nfs/dbraw/zinc/77/76/65/891777665.db2.gz RPUAVEAEXIJIQX-FNCVBFRFSA-N 0 1 255.274 -0.318 20 5 CBBDMN COCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001356936575 891833872 /nfs/dbraw/zinc/83/38/72/891833872.db2.gz CGOHBQHWOGQUPJ-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN CCCOCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001358720832 892049787 /nfs/dbraw/zinc/04/97/87/892049787.db2.gz CIXGDKDFEDMMOP-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001451815206 913914000 /nfs/dbraw/zinc/91/40/00/913914000.db2.gz CNUSEJUPQDYLLY-MRVPVSSYSA-N 0 1 281.272 -0.023 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)C[C@H](O)C1 ZINC001459634497 914734423 /nfs/dbraw/zinc/73/44/23/914734423.db2.gz MKGFMCZQUVARNT-AOOOYVTPSA-N 0 1 270.289 -0.473 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2C[C@@H](O)[C@H](CO)C2)c1 ZINC001460220886 914774504 /nfs/dbraw/zinc/77/45/04/914774504.db2.gz MMWZMIXUJVITPL-WCBMZHEXSA-N 0 1 256.262 -0.924 20 5 CBBDMN COCCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506283082 921566647 /nfs/dbraw/zinc/56/66/47/921566647.db2.gz CKVFMWQQILFNSZ-NXEZZACHSA-N 0 1 285.300 -0.643 20 5 CBBDMN CSCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N(C)C ZINC001436567445 910451253 /nfs/dbraw/zinc/45/12/53/910451253.db2.gz KKIDWRIZHHAPNK-HRDYMLBCSA-N 0 1 289.357 -0.022 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC=C[C@@H]2CO)c1[N+](=O)[O-] ZINC001471529901 915594201 /nfs/dbraw/zinc/59/42/01/915594201.db2.gz LZCMFFOOSBOPIY-SSDOTTSWSA-N 0 1 252.230 -0.001 20 5 CBBDMN NC(=O)C1(O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001473469537 915821571 /nfs/dbraw/zinc/82/15/71/915821571.db2.gz ZVXOZEFHWXCTAU-UHFFFAOYSA-N 0 1 283.288 -0.897 20 5 CBBDMN Cn1ncc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001483007027 917375089 /nfs/dbraw/zinc/37/50/89/917375089.db2.gz DCKFQLYOMUAXBE-LVUHIJSRSA-N 0 1 294.315 -0.758 20 5 CBBDMN O=C(NCC1(NCc2cnon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001483733359 917664286 /nfs/dbraw/zinc/66/42/86/917664286.db2.gz ZIOOYVTYHPOIGV-RKDXNWHRSA-N 0 1 281.272 -0.527 20 5 CBBDMN CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001489796354 918840602 /nfs/dbraw/zinc/84/06/02/918840602.db2.gz CFJRFYFAKQBLRA-LMLFDSFASA-N 0 1 299.327 -0.301 20 5 CBBDMN Cc1c[nH]nc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491276934 919105438 /nfs/dbraw/zinc/10/54/38/919105438.db2.gz VNPCHKCYWHBNEV-HTQZYQBOSA-N 0 1 281.272 -0.771 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC001492249406 919379492 /nfs/dbraw/zinc/37/94/92/919379492.db2.gz DQYOYKCITFDDBZ-GHMZBOCLSA-N 0 1 298.343 -0.678 20 5 CBBDMN CCCCNC(=O)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001494382649 919693328 /nfs/dbraw/zinc/69/33/28/919693328.db2.gz IQVVAEOGDHFIBD-GHMZBOCLSA-N 0 1 298.343 -0.632 20 5 CBBDMN CN(CCNC(=O)c1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001495803728 919950218 /nfs/dbraw/zinc/95/02/18/919950218.db2.gz BANZDWXOBZBMEO-GHMZBOCLSA-N 0 1 292.295 -0.065 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncc[nH]1 ZINC001496013688 920005339 /nfs/dbraw/zinc/00/53/39/920005339.db2.gz RMUJTCYCKFRFNN-HTQZYQBOSA-N 0 1 281.272 -0.737 20 5 CBBDMN CCN(CCNC(=O)c1cn[nH]c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496666142 920106160 /nfs/dbraw/zinc/10/61/60/920106160.db2.gz IGRRJJPCNREMNB-NXEZZACHSA-N 0 1 295.299 -0.347 20 5 CBBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnnn1C ZINC001496701396 920120343 /nfs/dbraw/zinc/12/03/43/920120343.db2.gz BPSSRBIKACHGIY-GHMZBOCLSA-N 0 1 296.331 -0.630 20 5 CBBDMN O=C(NCC1(O)CN(C/C=C/Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001500834133 920900488 /nfs/dbraw/zinc/90/04/88/920900488.db2.gz KMSMQRZSIQCCMV-NPIHWTNLSA-N 0 1 289.719 -0.433 20 5 CBBDMN COCC1(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001522628074 922495031 /nfs/dbraw/zinc/49/50/31/922495031.db2.gz PVPKLEXSERHPOY-NXEZZACHSA-N 0 1 299.327 -0.299 20 5 CBBDMN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC001537226235 923232051 /nfs/dbraw/zinc/23/20/51/923232051.db2.gz SQUREVLURYCYOC-KYXWUPHJSA-N 0 1 285.300 -0.596 20 5 CBBDMN C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001556211132 924044254 /nfs/dbraw/zinc/04/42/54/924044254.db2.gz YUFVDNCCIOTJBO-BWZBUEFSSA-N 0 1 262.287 -0.703 20 5 CBBDMN O=C(NCCN1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001556641974 924071894 /nfs/dbraw/zinc/07/18/94/924071894.db2.gz VNLHFFFFNAISGM-UHFFFAOYSA-N 0 1 283.288 -0.496 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](O)c1cnc[nH]1 ZINC001558340376 924168834 /nfs/dbraw/zinc/16/88/34/924168834.db2.gz CACXFRVCCXGRCF-VIFPVBQESA-N 0 1 294.271 -0.327 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC[C@H]1C ZINC000125203387 187174013 /nfs/dbraw/zinc/17/40/13/187174013.db2.gz SUQFBNAAPWTEHE-MRVPVSSYSA-N 0 1 267.289 -0.080 20 5 CBBDMN CCc1nnc2n1C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000377504839 230292280 /nfs/dbraw/zinc/29/22/80/230292280.db2.gz XXGBEDGINYXJFZ-HLTSFMKQSA-N 0 1 279.300 -0.063 20 5 CBBDMN CCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000377828373 529745822 /nfs/dbraw/zinc/74/58/22/529745822.db2.gz HDRCLOJFDZIORQ-YIZRAAEISA-N 0 1 295.299 -0.068 20 5 CBBDMN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000377828373 529745823 /nfs/dbraw/zinc/74/58/23/529745823.db2.gz HDRCLOJFDZIORQ-YIZRAAEISA-N 0 1 295.299 -0.068 20 5 CBBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1COC[C@H]1O ZINC000352795688 529939670 /nfs/dbraw/zinc/93/96/70/529939670.db2.gz UAQZAFHYQQSVJK-DTWKUNHWSA-N 0 1 256.262 -0.517 20 5 CBBDMN O=C(CNC(=O)c1csc([N+](=O)[O-])c1)N1CCNCC1 ZINC000040507769 351415835 /nfs/dbraw/zinc/41/58/35/351415835.db2.gz MVDGYZQJBFSWKU-UHFFFAOYSA-N 0 1 298.324 -0.182 20 5 CBBDMN O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCNCC1 ZINC000040507910 351415852 /nfs/dbraw/zinc/41/58/52/351415852.db2.gz ZJGFVZITTWNPBE-UHFFFAOYSA-N 0 1 282.256 -0.651 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](N2CCNC2=O)C1 ZINC000049486699 351493193 /nfs/dbraw/zinc/49/31/93/351493193.db2.gz BJOKRZCEPZOAKC-BBBLOLIVSA-N 0 1 282.300 -0.332 20 5 CBBDMN CC(C)N(CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611830 351668558 /nfs/dbraw/zinc/66/85/58/351668558.db2.gz XDNRFQSHILCMKE-JTQLQIEISA-N 0 1 285.304 -0.652 20 5 CBBDMN NC(=O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000092734810 351751756 /nfs/dbraw/zinc/75/17/56/351751756.db2.gz GDUUSTKEQIEBJB-NSHDSACASA-N 0 1 281.268 -0.014 20 5 CBBDMN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000092772468 351751911 /nfs/dbraw/zinc/75/19/11/351751911.db2.gz OMUBJTGCUMENDW-HLTSFMKQSA-N 0 1 291.329 -0.808 20 5 CBBDMN NS(=O)(=O)c1ccc(NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000138702261 351923749 /nfs/dbraw/zinc/92/37/49/351923749.db2.gz WZYWIODHUSQBRX-UHFFFAOYSA-N 0 1 298.284 -0.028 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000160621976 351971627 /nfs/dbraw/zinc/97/16/27/351971627.db2.gz ZLZBDONREFTLQX-APPZFPTMSA-N 0 1 283.288 -0.233 20 5 CBBDMN O=C1CCN(CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000174845188 352051937 /nfs/dbraw/zinc/05/19/37/352051937.db2.gz RWMMJKUKYCKGCO-UHFFFAOYSA-N 0 1 253.262 -0.387 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCCOCC1 ZINC000189436548 352169436 /nfs/dbraw/zinc/16/94/36/352169436.db2.gz GYFVGJBFBQKUQP-UHFFFAOYSA-N 0 1 297.315 -0.370 20 5 CBBDMN Cc1c(CNC(=O)CNC(=O)CN)cccc1[N+](=O)[O-] ZINC000231857066 352278282 /nfs/dbraw/zinc/27/82/82/352278282.db2.gz PKNJSUNCRFXRCE-UHFFFAOYSA-N 0 1 280.284 -0.406 20 5 CBBDMN C[C@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O ZINC000248957760 352358879 /nfs/dbraw/zinc/35/88/79/352358879.db2.gz QMSURNZKPXZMGW-ZJUUUORDSA-N 0 1 272.305 -0.145 20 5 CBBDMN NC(=O)N1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000365142478 303264344 /nfs/dbraw/zinc/26/43/44/303264344.db2.gz RUDKNITVCYFARU-YUMQZZPRSA-N 0 1 256.262 -0.735 20 5 CBBDMN Nc1nc(Nc2cnn(CCO)c2)ncc1[N+](=O)[O-] ZINC000301143104 352735803 /nfs/dbraw/zinc/73/58/03/352735803.db2.gz DFQVXTIWVFJXNH-UHFFFAOYSA-N 0 1 265.233 -0.101 20 5 CBBDMN COc1ccc(NC(=O)CNC(=O)CN)cc1[N+](=O)[O-] ZINC000312179564 352774033 /nfs/dbraw/zinc/77/40/33/352774033.db2.gz ZKOAXLZPXBCMPZ-UHFFFAOYSA-N 0 1 282.256 -0.383 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](NC(N)=O)C2)c1[N+](=O)[O-] ZINC000343067549 353250712 /nfs/dbraw/zinc/25/07/12/353250712.db2.gz BNBFIVBWHIQHEO-ZCFIWIBFSA-N 0 1 296.287 -0.237 20 5 CBBDMN CC(C)(C)NC(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343081460 353251184 /nfs/dbraw/zinc/25/11/84/353251184.db2.gz LBHQNPOHFFNKOU-UHFFFAOYSA-N 0 1 269.261 -0.038 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000343389564 353270531 /nfs/dbraw/zinc/27/05/31/353270531.db2.gz VGLOBVRCQNBWAZ-ZETCQYMHSA-N 0 1 297.271 -0.705 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)CC2)c1[N+](=O)[O-] ZINC000343898219 353297205 /nfs/dbraw/zinc/29/72/05/353297205.db2.gz OYLQEWZNMDPKFV-UHFFFAOYSA-N 0 1 267.245 -0.412 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353222589 353528843 /nfs/dbraw/zinc/52/88/43/353528843.db2.gz ZWGNXHZGZVEBHJ-SSDOTTSWSA-N 0 1 289.317 -0.549 20 5 CBBDMN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C)C1=O ZINC000352657297 353499248 /nfs/dbraw/zinc/49/92/48/353499248.db2.gz GCMHBXPWGNENKT-MNOVXSKESA-N 0 1 297.315 -0.685 20 5 CBBDMN CSc1n[nH]c(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1 ZINC000354757339 353582711 /nfs/dbraw/zinc/58/27/11/353582711.db2.gz ANLUADCKBZWUOO-UHFFFAOYSA-N 0 1 284.261 -0.335 20 5 CBBDMN COC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000358239501 353633851 /nfs/dbraw/zinc/63/38/51/353633851.db2.gz JNHWYVVGAKGMMC-ZCFIWIBFSA-N 0 1 258.234 -0.291 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cn1cncn1 ZINC000370979321 353693749 /nfs/dbraw/zinc/69/37/49/353693749.db2.gz NHCDKTHUVZQZAE-IVZWLZJFSA-N 0 1 265.273 -0.066 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)n1 ZINC000370925301 353693839 /nfs/dbraw/zinc/69/38/39/353693839.db2.gz VMDZTEVQYIZTKI-VGMNWLOBSA-N 0 1 293.283 -0.693 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)OC[C@H]2C1 ZINC000371992106 353708564 /nfs/dbraw/zinc/70/85/64/353708564.db2.gz NSHUTKWPZINBOU-PRJMDXOYSA-N 0 1 255.230 -0.685 20 5 CBBDMN CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000373290836 353729524 /nfs/dbraw/zinc/72/95/24/353729524.db2.gz JFCNIZQLINWNSG-IWSPIJDZSA-N 0 1 268.273 -0.770 20 5 CBBDMN COC(=O)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374957099 353750934 /nfs/dbraw/zinc/75/09/34/353750934.db2.gz VFTVZHKTMUBYED-FNCVBFRFSA-N 0 1 272.257 -0.560 20 5 CBBDMN COC(=O)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374957100 353751243 /nfs/dbraw/zinc/75/12/43/353751243.db2.gz VFTVZHKTMUBYED-LURQLKTLSA-N 0 1 272.257 -0.560 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000375298898 353758086 /nfs/dbraw/zinc/75/80/86/353758086.db2.gz XTKQMDRYKUNPSA-BDAKNGLRSA-N 0 1 253.258 -0.611 20 5 CBBDMN O=C(NC[C@@H]1CCCCN1CCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452379171 354349202 /nfs/dbraw/zinc/34/92/02/354349202.db2.gz QLXMYGSZEMQJRY-VIFPVBQESA-N 0 1 297.315 -0.106 20 5 CBBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(CO)CO ZINC000566423240 354765470 /nfs/dbraw/zinc/76/54/70/354765470.db2.gz CMORQSMZOCRRHF-UHFFFAOYSA-N 0 1 283.284 -0.215 20 5 CBBDMN O=C([C@@H]1CNCCO1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562803 355164209 /nfs/dbraw/zinc/16/42/09/355164209.db2.gz OVQMEVIFPKFMHN-LBPRGKRZSA-N 0 1 292.295 -0.137 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000592383345 355151167 /nfs/dbraw/zinc/15/11/67/355151167.db2.gz OQTSXXSGBRFAIT-ZCFIWIBFSA-N 0 1 277.306 -0.563 20 5 CBBDMN O=C([O-])C12CC(C1)C[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594734189 355259109 /nfs/dbraw/zinc/25/91/09/355259109.db2.gz RQIOVJRCIKCTEU-KRBLXSNTSA-N 0 1 296.283 -0.299 20 5 CBBDMN CNC(=O)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756317 355260024 /nfs/dbraw/zinc/26/00/24/355260024.db2.gz XTXXOFJNPNTAON-ZCFIWIBFSA-N 0 1 288.285 -0.597 20 5 CBBDMN COC(=O)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758677 355260251 /nfs/dbraw/zinc/26/02/51/355260251.db2.gz IKMSLUHYNGFVMU-ZCFIWIBFSA-N 0 1 289.269 -0.170 20 5 CBBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])C1(O)CNC1 ZINC000595922926 355318604 /nfs/dbraw/zinc/31/86/04/355318604.db2.gz MHBRNYFJGVVMRB-UHFFFAOYSA-N 0 1 280.284 -0.543 20 5 CBBDMN O=C(NC[C@@H]1CN2CCN1CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000597623596 355402028 /nfs/dbraw/zinc/40/20/28/355402028.db2.gz BFJOGXPGYPGNDW-SECBINFHSA-N 0 1 294.315 -0.562 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598162013 355433433 /nfs/dbraw/zinc/43/34/33/355433433.db2.gz GGNXAKWKNMHMTC-UHFFFAOYSA-N 0 1 268.277 -0.794 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)[NH3+])n1 ZINC000599098195 355463441 /nfs/dbraw/zinc/46/34/41/355463441.db2.gz QPJDQTYOYDDMSN-UHFFFAOYSA-N 0 1 277.306 -0.656 20 5 CBBDMN CCC[NH2+]CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599109354 355465430 /nfs/dbraw/zinc/46/54/30/355465430.db2.gz UWWHKBZHLPBXQO-UHFFFAOYSA-N 0 1 291.333 -0.394 20 5 CBBDMN COC(=O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599209354 355472331 /nfs/dbraw/zinc/47/23/31/355472331.db2.gz KEHOLWXLWIIIMH-UHFFFAOYSA-N 0 1 292.273 -0.830 20 5 CBBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)CO ZINC000599241218 355473755 /nfs/dbraw/zinc/47/37/55/355473755.db2.gz OCDWQTDNEPYQSN-RNFRBKRXSA-N 0 1 292.317 -0.377 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)C2CC2)n1 ZINC000599244469 355473925 /nfs/dbraw/zinc/47/39/25/355473925.db2.gz JGSDOESRIUVSAB-QMMMGPOBSA-N 0 1 290.301 -0.623 20 5 CBBDMN COC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599259241 355474642 /nfs/dbraw/zinc/47/46/42/355474642.db2.gz SMZSWTBWLNBDGR-RXMQYKEDSA-N 0 1 292.273 -0.832 20 5 CBBDMN C[C@H](CCCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599257793 355474956 /nfs/dbraw/zinc/47/49/56/355474956.db2.gz MEJQWDRDELAFBK-SSDOTTSWSA-N 0 1 292.317 -0.232 20 5 CBBDMN C[C@@H](O)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599293566 355478141 /nfs/dbraw/zinc/47/81/41/355478141.db2.gz ZTUYUGGUTIHXSD-SSDOTTSWSA-N 0 1 292.317 -0.232 20 5 CBBDMN CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)O ZINC000599322202 355479641 /nfs/dbraw/zinc/47/96/41/355479641.db2.gz OWPVXTAFFJPNRL-BQBZGAKWSA-N 0 1 292.317 -0.234 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(CCO)CC2)n1 ZINC000599317900 355480162 /nfs/dbraw/zinc/48/01/62/355480162.db2.gz NOLWRUOJXFDTFN-UHFFFAOYSA-N 0 1 290.301 -0.478 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCCF)n1 ZINC000599361969 355482164 /nfs/dbraw/zinc/48/21/64/355482164.db2.gz NLUPYOZFRYZAQM-UHFFFAOYSA-N 0 1 296.280 -0.407 20 5 CBBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000600808000 355566907 /nfs/dbraw/zinc/56/69/07/355566907.db2.gz GGVPKMNOAHUORJ-JTQLQIEISA-N 0 1 280.284 -0.214 20 5 CBBDMN CC(C)(C(=O)NCc1nn[nH]n1)n1cc([N+](=O)[O-])cn1 ZINC000609532348 355770499 /nfs/dbraw/zinc/77/04/99/355770499.db2.gz LKUUPVSSWRRLCT-UHFFFAOYSA-N 0 1 280.248 -0.644 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3cn[nH]c3C2)c1 ZINC000611008718 355792864 /nfs/dbraw/zinc/79/28/64/355792864.db2.gz HVDPGCFPDHQASA-NSHDSACASA-N 0 1 292.299 -0.066 20 5 CBBDMN CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000611088431 355793389 /nfs/dbraw/zinc/79/33/89/355793389.db2.gz VBSXFFCRNSCEMG-VIFPVBQESA-N 0 1 282.304 -0.261 20 5 CBBDMN Cn1nnnc1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611559719 355804852 /nfs/dbraw/zinc/80/48/52/355804852.db2.gz LKARDJHFXBRYBY-UHFFFAOYSA-N 0 1 292.255 -0.204 20 5 CBBDMN Cn1cc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])nn1 ZINC000611935607 355815834 /nfs/dbraw/zinc/81/58/34/355815834.db2.gz YZVIGKMAPKFNDO-UHFFFAOYSA-N 0 1 298.284 -0.403 20 5 CBBDMN CN1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298682145 200502918 /nfs/dbraw/zinc/50/29/18/200502918.db2.gz AEAHZCPJEYWKFS-UHFFFAOYSA-N 0 1 281.320 -0.374 20 5 CBBDMN COCCN1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000330588364 203007544 /nfs/dbraw/zinc/00/75/44/203007544.db2.gz YPTNLUSBWOLVGR-SECBINFHSA-N 0 1 297.315 -0.221 20 5 CBBDMN CN1CCN(C)[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330695231 203126062 /nfs/dbraw/zinc/12/60/62/203126062.db2.gz IZXBIKWLRZYKNA-SNVBAGLBSA-N 0 1 296.331 -0.847 20 5 CBBDMN NC(=O)[C@]1(O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000276461727 193341062 /nfs/dbraw/zinc/34/10/62/193341062.db2.gz OUVHCLJLSPGYSH-ZDUSSCGKSA-N 0 1 295.295 -0.104 20 5 CBBDMN COC(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363342488 373487555 /nfs/dbraw/zinc/48/75/55/373487555.db2.gz CYMPIALIWRENCC-UWVGGRQHSA-N 0 1 285.300 -0.641 20 5 CBBDMN C[NH2+]CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000519830609 373825474 /nfs/dbraw/zinc/82/54/74/373825474.db2.gz WYYBDJGBCDMBMD-UHFFFAOYSA-N 0 1 274.302 -0.122 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000552378320 374266670 /nfs/dbraw/zinc/26/66/70/374266670.db2.gz WKUPBAIPDIWRMS-ZCFIWIBFSA-N 0 1 292.259 -0.149 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](CO)[C@H](O)C2)c1 ZINC000554744085 374281693 /nfs/dbraw/zinc/28/16/93/374281693.db2.gz WBDPDCHIKUVTOO-MWLCHTKSSA-N 0 1 270.289 -0.534 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000554744083 374283141 /nfs/dbraw/zinc/28/31/41/374283141.db2.gz WBDPDCHIKUVTOO-GXSJLCMTSA-N 0 1 270.289 -0.534 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000579714779 374354522 /nfs/dbraw/zinc/35/45/22/374354522.db2.gz VUXLCPBWDDVANW-NXEZZACHSA-N 0 1 294.311 -0.035 20 5 CBBDMN CNC(=O)[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264159019 190093219 /nfs/dbraw/zinc/09/32/19/190093219.db2.gz HYXMZQGTCSCEMR-SSDOTTSWSA-N 0 1 281.272 -0.023 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1CO ZINC000357643482 248388214 /nfs/dbraw/zinc/38/82/14/248388214.db2.gz LPXCRIKXPNONPM-GXSJLCMTSA-N 0 1 282.252 -0.132 20 5 CBBDMN COC(=O)[C@@H](CF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360461947 248603935 /nfs/dbraw/zinc/60/39/35/248603935.db2.gz MHJORMKDRUWDRI-SCSAIBSYSA-N 0 1 260.181 -0.441 20 5 CBBDMN CN1CCN(C)[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264760373 190133343 /nfs/dbraw/zinc/13/33/43/190133343.db2.gz OESDHOYVTCPNHJ-SECBINFHSA-N 0 1 281.316 -0.102 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)C2=O)c1[N+](=O)[O-] ZINC000265661034 190197907 /nfs/dbraw/zinc/19/79/07/190197907.db2.gz AZIDOAUHIFWGQQ-ZETCQYMHSA-N 0 1 281.272 -0.071 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC000347508357 218259302 /nfs/dbraw/zinc/25/93/02/218259302.db2.gz AWHOIOOKXPLYIY-SVRRBLITSA-N 0 1 284.272 -0.152 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000347612283 218290067 /nfs/dbraw/zinc/29/00/67/218290067.db2.gz QFYNNOHBNNCPGS-ZCFIWIBFSA-N 0 1 277.306 -0.563 20 5 CBBDMN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nn[nH]n1 ZINC000347742902 218342685 /nfs/dbraw/zinc/34/26/85/218342685.db2.gz DQLWJUIKIMLIBD-UHFFFAOYSA-N 0 1 256.609 -0.029 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)N1 ZINC000154087007 207382040 /nfs/dbraw/zinc/38/20/40/207382040.db2.gz JDYBFYGBYUACHU-AOOOYVTPSA-N 0 1 294.311 -0.035 20 5 CBBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155548186 207385485 /nfs/dbraw/zinc/38/54/85/207385485.db2.gz VTTVXAWGLWVONM-RKDXNWHRSA-N 0 1 282.304 -0.263 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000494681766 533662351 /nfs/dbraw/zinc/66/23/51/533662351.db2.gz MILJGHMVXWVYGB-POYBYMJQSA-N 0 1 284.272 -0.152 20 5 CBBDMN O=C(NC1(c2nn[nH]n2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000355054859 227350978 /nfs/dbraw/zinc/35/09/78/227350978.db2.gz ZIXZNLAGMQYOLL-UHFFFAOYSA-N 0 1 264.205 -0.750 20 5 CBBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1nn[nH]n1 ZINC000044927452 419434351 /nfs/dbraw/zinc/43/43/51/419434351.db2.gz UMITZBDJMCEFJJ-UHFFFAOYSA-N 0 1 278.228 -0.197 20 5 CBBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nn[nH]n1 ZINC000044927105 419434885 /nfs/dbraw/zinc/43/48/85/419434885.db2.gz PVHRCYVSKRNYHG-UHFFFAOYSA-N 0 1 262.229 -0.033 20 5 CBBDMN CNC(=O)Cn1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000341799167 419736214 /nfs/dbraw/zinc/73/62/14/419736214.db2.gz MYSMPFJHUGGQIL-UHFFFAOYSA-N 0 1 292.259 -0.347 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000365809165 420068723 /nfs/dbraw/zinc/06/87/23/420068723.db2.gz XFOWCKBSMZHQGJ-XAVMHZPKSA-N 0 1 253.258 -0.754 20 5 CBBDMN NC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000365142475 420054809 /nfs/dbraw/zinc/05/48/09/420054809.db2.gz RUDKNITVCYFARU-HTQZYQBOSA-N 0 1 256.262 -0.735 20 5 CBBDMN CCc1noc([C@]2(O)CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)n1 ZINC000365236188 420056835 /nfs/dbraw/zinc/05/68/35/420056835.db2.gz RWAUFCWWWYQMEW-UBJUHAIHSA-N 0 1 296.283 -0.283 20 5 CBBDMN C[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000365304352 420058222 /nfs/dbraw/zinc/05/82/22/420058222.db2.gz IVYGCGKQBLMJDA-HRDYMLBCSA-N 0 1 276.314 -0.313 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000365347667 420060492 /nfs/dbraw/zinc/06/04/92/420060492.db2.gz JYMIXQNZRJJHPM-HLTSFMKQSA-N 0 1 276.314 -0.455 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000365347672 420060945 /nfs/dbraw/zinc/06/09/45/420060945.db2.gz JYMIXQNZRJJHPM-IWSPIJDZSA-N 0 1 276.314 -0.455 20 5 CBBDMN COCC[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368283225 420127006 /nfs/dbraw/zinc/12/70/06/420127006.db2.gz WRGDRDWTDNDBPZ-OPRDCNLKSA-N 0 1 258.274 -0.085 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000366052571 420074827 /nfs/dbraw/zinc/07/48/27/420074827.db2.gz LSOIRLLVSICKNZ-AXFHLTTASA-N 0 1 269.301 -0.415 20 5 CBBDMN Cn1cnc2c1CCN(C(=O)[C@H]1CC1[N+](=O)[O-])C2 ZINC000370744537 420185992 /nfs/dbraw/zinc/18/59/92/420185992.db2.gz GZPFARXUGMXKSW-XVKPBYJWSA-N 0 1 250.258 -0.030 20 5 CBBDMN CCn1nc2c(cc1=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000378015847 230309217 /nfs/dbraw/zinc/30/92/17/230309217.db2.gz UKNCETJHVFPQMO-KOLCDFICSA-N 0 1 292.295 -0.187 20 5 CBBDMN O=C(NCCCN1CCOC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000494033936 230343195 /nfs/dbraw/zinc/34/31/95/230343195.db2.gz OUIIZPOZEFTCTC-UHFFFAOYSA-N 0 1 283.244 -0.110 20 5 CBBDMN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000378053933 289047231 /nfs/dbraw/zinc/04/72/31/289047231.db2.gz NPPAJBKTIYCUKG-DDHJBXDOSA-N 0 1 283.328 -0.027 20 5 CBBDMN [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCO1 ZINC000578866757 335682325 /nfs/dbraw/zinc/68/23/25/335682325.db2.gz VOAYTIKPDFRSNK-VIFPVBQESA-N 0 1 296.283 -0.115 20 5 CBBDMN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000378053937 534257109 /nfs/dbraw/zinc/25/71/09/534257109.db2.gz NPPAJBKTIYCUKG-KXNHARMFSA-N 0 1 283.328 -0.027 20 5 CBBDMN CC(C)(NC(=O)Cn1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000354782883 527269991 /nfs/dbraw/zinc/26/99/91/527269991.db2.gz INTPGFVWCFBBAJ-UHFFFAOYSA-N 0 1 280.248 -0.644 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000769058845 582335131 /nfs/dbraw/zinc/33/51/31/582335131.db2.gz BMVAFXDBTFRYPD-QMMMGPOBSA-N 0 1 284.272 -0.150 20 5 CBBDMN Cc1nc(COC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000770638872 582339261 /nfs/dbraw/zinc/33/92/61/582339261.db2.gz OPKJAZZYXQCYID-UHFFFAOYSA-N 0 1 266.217 -0.039 20 5 CBBDMN NC(=O)CONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000772932549 582346148 /nfs/dbraw/zinc/34/61/48/582346148.db2.gz IRPMOGVSZLEOMZ-UHFFFAOYSA-N 0 1 279.212 -0.382 20 5 CBBDMN Cn1nncc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000808314379 582443062 /nfs/dbraw/zinc/44/30/62/582443062.db2.gz CQIBCGAUBQZANE-UHFFFAOYSA-N 0 1 298.284 -0.403 20 5 CBBDMN O=C([O-])[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819281566 582531623 /nfs/dbraw/zinc/53/16/23/582531623.db2.gz WHAGJLWIFHXFLF-WPRPVWTQSA-N 0 1 284.272 -0.441 20 5 CBBDMN CC(C)[N@H+](CC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000820015363 582547772 /nfs/dbraw/zinc/54/77/72/582547772.db2.gz NRBFJLFEUKTQFA-SNVBAGLBSA-N 0 1 286.288 -0.053 20 5 CBBDMN O=C([O-])N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000832031690 583010926 /nfs/dbraw/zinc/01/09/26/583010926.db2.gz XNQCMRDVKTWREC-SNVBAGLBSA-N 0 1 299.287 -0.552 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000832043245 583011039 /nfs/dbraw/zinc/01/10/39/583011039.db2.gz DDFADSAQOAXTHQ-SGIHWFKDSA-N 0 1 288.325 -0.455 20 5 CBBDMN O=C([O-])N[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000832386794 583023434 /nfs/dbraw/zinc/02/34/34/583023434.db2.gz MULTZLLTNZBDOU-SCZZXKLOSA-N 0 1 299.287 -0.506 20 5 CBBDMN NC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839476295 583156335 /nfs/dbraw/zinc/15/63/35/583156335.db2.gz IAQUTPZLNNXQCE-BBBLOLIVSA-N 0 1 263.253 -0.006 20 5 CBBDMN COC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839627404 583156946 /nfs/dbraw/zinc/15/69/46/583156946.db2.gz OJJWDDQWLOQSDR-DJLDLDEBSA-N 0 1 271.273 -0.001 20 5 CBBDMN COC(=O)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839653112 583157174 /nfs/dbraw/zinc/15/71/74/583157174.db2.gz VFCBDXWSMHPJDU-BWZBUEFSSA-N 0 1 258.230 -0.948 20 5 CBBDMN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839704567 583158016 /nfs/dbraw/zinc/15/80/16/583158016.db2.gz YQZPSOGQAMXONG-IWSPIJDZSA-N 0 1 270.289 -0.428 20 5 CBBDMN CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839705203 583158023 /nfs/dbraw/zinc/15/80/23/583158023.db2.gz CUPDUTALOIKVFX-FXBDTBDDSA-N 0 1 255.274 -0.269 20 5 CBBDMN CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000839701390 583158043 /nfs/dbraw/zinc/15/80/43/583158043.db2.gz SMDXNBYRLYRLRM-IWSPIJDZSA-N 0 1 296.283 -0.854 20 5 CBBDMN CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000839698532 583158195 /nfs/dbraw/zinc/15/81/95/583158195.db2.gz PQFVZCJCZARULR-BWZBUEFSSA-N 0 1 269.257 -0.696 20 5 CBBDMN CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717352 583158570 /nfs/dbraw/zinc/15/85/70/583158570.db2.gz MCHINWCUAKUTPY-HTQZYQBOSA-N 0 1 258.278 -0.619 20 5 CBBDMN CC(C)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839731233 583158721 /nfs/dbraw/zinc/15/87/21/583158721.db2.gz NDHTYESUVBOONV-NXEZZACHSA-N 0 1 269.301 -0.022 20 5 CBBDMN CCOC1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839739837 583159076 /nfs/dbraw/zinc/15/90/76/583159076.db2.gz LZOGRYCOEGFLAQ-VCZAYRLQSA-N 0 1 258.274 -0.302 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000839773973 583159508 /nfs/dbraw/zinc/15/95/08/583159508.db2.gz KLSQWFGOBAGHDB-BZNPZCIMSA-N 0 1 276.314 -0.314 20 5 CBBDMN CO[C@@H]1COCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783667 583159945 /nfs/dbraw/zinc/15/99/45/583159945.db2.gz JZDXGELBDKKLQV-SGIHWFKDSA-N 0 1 258.274 -0.181 20 5 CBBDMN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840308490 583163863 /nfs/dbraw/zinc/16/38/63/583163863.db2.gz UNXKKINKPKGSID-PRJMDXOYSA-N 0 1 273.314 -0.359 20 5 CBBDMN C[C@@H](O)C[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840418052 583164754 /nfs/dbraw/zinc/16/47/54/583164754.db2.gz DQQCKJUTAPLPJH-ZYUZMQFOSA-N 0 1 258.274 -0.350 20 5 CBBDMN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840427602 583164827 /nfs/dbraw/zinc/16/48/27/583164827.db2.gz GWISJGMSRKCERT-HXFLIBJXSA-N 0 1 272.257 -0.824 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@H]1CCO ZINC000840402781 583164845 /nfs/dbraw/zinc/16/48/45/583164845.db2.gz NHXPIPQNKIUKHU-IWSPIJDZSA-N 0 1 260.315 -0.022 20 5 CBBDMN CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840405093 583164860 /nfs/dbraw/zinc/16/48/60/583164860.db2.gz YAQRXKFFIHPSSD-RKDXNWHRSA-N 0 1 278.330 -0.067 20 5 CBBDMN COC(=O)C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCOC1 ZINC000840425179 583164881 /nfs/dbraw/zinc/16/48/81/583164881.db2.gz WOWBNHQIZBPART-KBVBSXBZSA-N 0 1 286.284 -0.120 20 5 CBBDMN CC[C@](COC)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840474253 583165462 /nfs/dbraw/zinc/16/54/62/583165462.db2.gz FGMPLNUGODJLKR-SOCHQFKDSA-N 0 1 274.273 -0.264 20 5 CBBDMN O=C(NCc1cc(=O)n2ccccc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC000844970526 583286123 /nfs/dbraw/zinc/28/61/23/583286123.db2.gz QVVSXFMVJQIMCS-NXEZZACHSA-N 0 1 288.263 -0.024 20 5 CBBDMN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000847279202 583401428 /nfs/dbraw/zinc/40/14/28/583401428.db2.gz ZOQZLHKXNAHZOW-DJLDLDEBSA-N 0 1 269.257 -0.249 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000849401786 583480919 /nfs/dbraw/zinc/48/09/19/583480919.db2.gz KSRDABAVRSZIRK-HTRCEHHLSA-N 0 1 273.270 -0.209 20 5 CBBDMN O=C(OC[C@@H]1CCc2nnnn2CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000851428202 583514898 /nfs/dbraw/zinc/51/48/98/583514898.db2.gz OLJBZIQXVGKWAL-IWSPIJDZSA-N 0 1 281.272 -0.166 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](N2CCOCC2)C1 ZINC000854727735 583617498 /nfs/dbraw/zinc/61/74/98/583617498.db2.gz BMGSVOONVGHNKA-QJPTWQEYSA-N 0 1 283.328 -0.025 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC000854809231 583624040 /nfs/dbraw/zinc/62/40/40/583624040.db2.gz PSYDCMCGGBTDQJ-BBBLOLIVSA-N 0 1 288.325 -0.313 20 5 CBBDMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1(=O)=O ZINC000855704342 583648000 /nfs/dbraw/zinc/64/80/00/583648000.db2.gz UPDXVUKFWVBZRG-FNCVBFRFSA-N 0 1 276.314 -0.267 20 5 CBBDMN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856086444 583655329 /nfs/dbraw/zinc/65/53/29/583655329.db2.gz ZQVLLYPHSVNYLO-IVZWLZJFSA-N 0 1 284.316 -0.134 20 5 CBBDMN CC(C)[C@H](CO)ONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000857286393 583669940 /nfs/dbraw/zinc/66/99/40/583669940.db2.gz ZSSGATVBUDZHFH-ZETCQYMHSA-N 0 1 258.234 -0.004 20 5 CBBDMN COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000857330644 583670678 /nfs/dbraw/zinc/67/06/78/583670678.db2.gz LAMFZQMDXKCTCC-SGIHWFKDSA-N 0 1 286.284 -0.169 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@H]2O)n1 ZINC000859196587 583710607 /nfs/dbraw/zinc/71/06/07/583710607.db2.gz AOPIONKIJJANOU-IYSWYEEDSA-N 0 1 276.274 -0.870 20 5 CBBDMN O=C1OC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]12 ZINC000860166296 583740428 /nfs/dbraw/zinc/74/04/28/583740428.db2.gz XNZOGSKJFYHVTQ-MWLCHTKSSA-N 0 1 293.279 -0.139 20 5 CBBDMN O=C(NC1CC(N2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000862106824 583800261 /nfs/dbraw/zinc/80/02/61/583800261.db2.gz WBFBGBFNNFGKMJ-JPPWEJMLSA-N 0 1 269.301 -0.369 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2nccnn2)CC1 ZINC000862435519 583805654 /nfs/dbraw/zinc/80/56/54/583805654.db2.gz CVXSVMPUHIDYLI-RKDXNWHRSA-N 0 1 278.272 -0.815 20 5 CBBDMN COC[C@]1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000863828494 583858653 /nfs/dbraw/zinc/85/86/53/583858653.db2.gz XPORFDCTPJPZOA-KKZNHRDASA-N 0 1 258.274 -0.085 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](CN2CCOCC2)C1 ZINC000870058636 584007980 /nfs/dbraw/zinc/00/79/80/584007980.db2.gz UBKHCENSOJMQTF-IJLUTSLNSA-N 0 1 299.327 -0.789 20 5 CBBDMN CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000871221832 584032991 /nfs/dbraw/zinc/03/29/91/584032991.db2.gz LNDCYZYTERRPPI-LNLATYFQSA-N 0 1 286.284 -0.168 20 5 CBBDMN CO[C@H]1COCC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882373864 584316184 /nfs/dbraw/zinc/31/61/84/584316184.db2.gz CDLRPPDXEANKBE-KYXWUPHJSA-N 0 1 258.274 -0.086 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CN2CCNC2=O)CC1 ZINC000887651589 584470803 /nfs/dbraw/zinc/47/08/03/584470803.db2.gz SPOKSRVMHIQWFD-GHMZBOCLSA-N 0 1 296.327 -0.085 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1N1CCCN(CCO)CC1 ZINC000892338267 584615364 /nfs/dbraw/zinc/61/53/64/584615364.db2.gz UDOKXIRAKSWCFH-UHFFFAOYSA-N 0 1 269.305 -0.167 20 5 CBBDMN COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC000893574570 584642444 /nfs/dbraw/zinc/64/24/44/584642444.db2.gz KZVUVLDPFXIIEB-HNBLOZHYSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000893624244 584643592 /nfs/dbraw/zinc/64/35/92/584643592.db2.gz GNVKYBPJLNBKSL-WCTZXXKLSA-N 0 1 256.214 -0.212 20 5 CBBDMN Cc1[nH]nc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000740034692 596910035 /nfs/dbraw/zinc/91/00/35/596910035.db2.gz ZMKSCAUKUYQZLL-UHFFFAOYSA-N 0 1 299.287 -0.285 20 5 CBBDMN CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978484569 613813075 /nfs/dbraw/zinc/81/30/75/613813075.db2.gz KNZHACAHHUFVDJ-UTINFBMNSA-N 0 1 255.274 -0.318 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)COC)C1 ZINC000967948995 614651309 /nfs/dbraw/zinc/65/13/09/614651309.db2.gz COKQDLVFMYLLKK-NXEZZACHSA-N 0 1 285.300 -0.643 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(F)F)C1 ZINC000954234989 615867433 /nfs/dbraw/zinc/86/74/33/615867433.db2.gz NWWZIKSUBGIPSA-HTQZYQBOSA-N 0 1 291.254 -0.024 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C2OCCO2)C1 ZINC000927995464 658988742 /nfs/dbraw/zinc/98/87/42/658988742.db2.gz BCCVLHHLCUJJEZ-DJLDLDEBSA-N 0 1 256.258 -0.127 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(C2)OCCO3)c1 ZINC000173326528 656085065 /nfs/dbraw/zinc/08/50/65/656085065.db2.gz DICZFAGHXNQXRO-NSHDSACASA-N 0 1 298.299 -0.399 20 5 CBBDMN CN(C)S(=O)(=O)C1(CNCC[N+](=O)[O-])CC1 ZINC000905477362 656359819 /nfs/dbraw/zinc/35/98/19/656359819.db2.gz FOFQSNTWYSWNKY-UHFFFAOYSA-N 0 1 251.308 -0.723 20 5 CBBDMN Cc1n[nH]cc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000997284153 656471873 /nfs/dbraw/zinc/47/18/73/656471873.db2.gz OFSAJAFLOKPDOK-PSASIEDQSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(Cc1ccco1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000998242892 656519306 /nfs/dbraw/zinc/51/93/06/656519306.db2.gz QMFSBQDIIOZHKQ-GHMZBOCLSA-N 0 1 293.279 -0.186 20 5 CBBDMN CSCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001797132 656821629 /nfs/dbraw/zinc/82/16/29/656821629.db2.gz VYAKJHRHQFXQIP-RKDXNWHRSA-N 0 1 287.341 -0.411 20 5 CBBDMN O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010325191 657151248 /nfs/dbraw/zinc/15/12/48/657151248.db2.gz OWDIPSOZCVPFJO-MWLCHTKSSA-N 0 1 292.295 -0.036 20 5 CBBDMN O=C(c1ccon1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010478121 657190189 /nfs/dbraw/zinc/19/01/89/657190189.db2.gz LLQKDFHMRJGHFQ-PSASIEDQSA-N 0 1 294.267 -0.376 20 5 CBBDMN NC(=O)C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001020533195 658068157 /nfs/dbraw/zinc/06/81/57/658068157.db2.gz KRFZUCNENFRJQP-ZKCHVHJHSA-N 0 1 298.324 -0.122 20 5 CBBDMN CN1CC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000928569605 659049768 /nfs/dbraw/zinc/04/97/68/659049768.db2.gz NJZNIEQRNOCUDE-QMMMGPOBSA-N 0 1 253.262 -0.388 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC000973058760 659137211 /nfs/dbraw/zinc/13/72/11/659137211.db2.gz XTTPPFXLHWMMRZ-ZYUZMQFOSA-N 0 1 293.283 -0.548 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cocn1 ZINC000973096379 659138153 /nfs/dbraw/zinc/13/81/53/659138153.db2.gz OOZSBMIZBPEIMY-FDDDBJFASA-N 0 1 294.267 -0.283 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnon1 ZINC000973254398 659141678 /nfs/dbraw/zinc/14/16/78/659141678.db2.gz LWPIRTQHDWARFU-JXOAFFINSA-N 0 1 295.255 -0.888 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccon1 ZINC000973917038 659157815 /nfs/dbraw/zinc/15/78/15/659157815.db2.gz ZWJAIGNZIYAVBC-IBCQBUCCSA-N 0 1 294.267 -0.283 20 5 CBBDMN COC(=O)CCN1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930237752 659236313 /nfs/dbraw/zinc/23/63/13/659236313.db2.gz WHLRJRZOQOOTLE-JTQLQIEISA-N 0 1 259.306 -0.168 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccncc1 ZINC000990060696 659660773 /nfs/dbraw/zinc/66/07/73/659660773.db2.gz IWLKYAZFHAVGHK-GHMZBOCLSA-N 0 1 290.279 -0.313 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccnc1 ZINC000990071443 659664809 /nfs/dbraw/zinc/66/48/09/659664809.db2.gz NPVDWXSRKSXUOC-GHMZBOCLSA-N 0 1 290.279 -0.313 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccoc1 ZINC000990228229 659702982 /nfs/dbraw/zinc/70/29/82/659702982.db2.gz BDGSWZXZCJPFKL-NXEZZACHSA-N 0 1 279.252 -0.115 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC000990279723 659713459 /nfs/dbraw/zinc/71/34/59/659713459.db2.gz VVMNMIOSWBKVJO-VXNVDRBHSA-N 0 1 279.256 -0.985 20 5 CBBDMN Cc1nc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC000990990558 659808450 /nfs/dbraw/zinc/80/84/50/659808450.db2.gz QKMHERYCSIDZRH-PSASIEDQSA-N 0 1 294.267 -0.411 20 5 CBBDMN Cc1nc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC000991278525 659829426 /nfs/dbraw/zinc/82/94/26/659829426.db2.gz IBRYVAXMHSVNPT-PSASIEDQSA-N 0 1 294.267 -0.411 20 5 CBBDMN CC(C)=CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991281584 659829563 /nfs/dbraw/zinc/82/95/63/659829563.db2.gz UYEXEMQFPFBNOG-NXEZZACHSA-N 0 1 267.285 -0.055 20 5 CBBDMN O=C(Cc1ccc[nH]1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991289931 659830380 /nfs/dbraw/zinc/83/03/80/659830380.db2.gz ILXOMTDQVQRTFJ-GHMZBOCLSA-N 0 1 292.295 -0.451 20 5 CBBDMN Cc1c[nH]nc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991299317 659831115 /nfs/dbraw/zinc/83/11/15/659831115.db2.gz TWRJVNFORZQUIM-RKDXNWHRSA-N 0 1 293.283 -0.676 20 5 CBBDMN CC1(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000993612413 659870195 /nfs/dbraw/zinc/87/01/95/659870195.db2.gz KKJYBKSYCDALRT-RKDXNWHRSA-N 0 1 267.285 -0.221 20 5 CBBDMN Cc1nc[nH]c1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000995241525 659896678 /nfs/dbraw/zinc/89/66/78/659896678.db2.gz ZFMVXEFYUMCCDL-RKDXNWHRSA-N 0 1 293.283 -0.676 20 5 CBBDMN COc1ncnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164668476 719394129 /nfs/dbraw/zinc/39/41/29/719394129.db2.gz RTOJSIBSYSFHIA-RKDXNWHRSA-N 0 1 295.299 -0.087 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NCc2cnsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063414 790987302 /nfs/dbraw/zinc/98/73/02/790987302.db2.gz BHKXQWGKWLPLCY-BKFJMODKSA-N 0 1 297.340 -0.060 20 5 CBBDMN O=C(CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCC1 ZINC001030292764 799290355 /nfs/dbraw/zinc/29/03/55/799290355.db2.gz UWOBZUWQXYELCD-GHMZBOCLSA-N 0 1 296.327 -0.926 20 5 CBBDMN CCn1ncnc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292288 799290514 /nfs/dbraw/zinc/29/05/14/799290514.db2.gz AZVLNAWPWYWQRZ-NXEZZACHSA-N 0 1 294.315 -0.736 20 5 CBBDMN Cc1noc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030292170 799290611 /nfs/dbraw/zinc/29/06/11/799290611.db2.gz WIPHATMGWMTJTG-RKDXNWHRSA-N 0 1 281.272 -0.656 20 5 CBBDMN Cc1cnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001030292551 799291131 /nfs/dbraw/zinc/29/11/31/799291131.db2.gz OESKAEBALRHWCW-NXEZZACHSA-N 0 1 280.284 -0.051 20 5 CBBDMN CCn1ccc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030293026 799291648 /nfs/dbraw/zinc/29/16/48/799291648.db2.gz DJGSLRSPMQAVLL-VXGBXAGGSA-N 0 1 293.327 -0.131 20 5 CBBDMN Cc1cnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001030293471 799292121 /nfs/dbraw/zinc/29/21/21/799292121.db2.gz LELUUNGIJXGGDC-VXGBXAGGSA-N 0 1 291.311 -0.249 20 5 CBBDMN Cc1nc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001030292984 799292231 /nfs/dbraw/zinc/29/22/31/799292231.db2.gz CNNBWWHEHHLOGG-GHMZBOCLSA-N 0 1 280.284 -0.051 20 5 CBBDMN COc1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001030293534 799292290 /nfs/dbraw/zinc/29/22/90/799292290.db2.gz NRGVPRIOJNHAAB-NXEZZACHSA-N 0 1 296.283 -0.351 20 5 CBBDMN Cc1nnc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001031661916 799529949 /nfs/dbraw/zinc/52/99/49/799529949.db2.gz MXHRVKJMYLOTRY-NXEZZACHSA-N 0 1 295.299 -0.409 20 5 CBBDMN Cn1ncnc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661946 799530553 /nfs/dbraw/zinc/53/05/53/799530553.db2.gz NZTCDDSBJUNWTR-NXEZZACHSA-N 0 1 294.315 -0.972 20 5 CBBDMN O=C(NCC1CN(Cc2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661882 799531201 /nfs/dbraw/zinc/53/12/01/799531201.db2.gz LTYIHWVDAUAQMH-GHMZBOCLSA-N 0 1 291.311 -0.310 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nncn2C)C1 ZINC001042705243 801511585 /nfs/dbraw/zinc/51/15/85/801511585.db2.gz ODFPCVYJEDCBGG-NXEZZACHSA-N 0 1 294.315 -0.877 20 5 CBBDMN C/C=C(/C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057304569 802505572 /nfs/dbraw/zinc/50/55/72/802505572.db2.gz XHALEQIPZVEHNV-GIGCTMKZSA-N 0 1 299.327 -0.445 20 5 CBBDMN O=C(NC[C@H]1CCCS1(=O)=O)c1n[nH]cc1[N+](=O)[O-] ZINC001117994376 812461398 /nfs/dbraw/zinc/46/13/98/812461398.db2.gz LOYBGASPRMRKAZ-ZCFIWIBFSA-N 0 1 288.285 -0.375 20 5 CBBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1CO ZINC001122125183 813121530 /nfs/dbraw/zinc/12/15/30/813121530.db2.gz YRQBMBUFIQIWFP-GFCCVEGCSA-N 0 1 279.296 -0.070 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(CO)n1 ZINC001148340133 814940055 /nfs/dbraw/zinc/94/00/55/814940055.db2.gz OIUVMOSQXLFWHC-UHFFFAOYSA-N 0 1 280.244 -0.526 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nnc(CO)[nH]1 ZINC001148340133 814940060 /nfs/dbraw/zinc/94/00/60/814940060.db2.gz OIUVMOSQXLFWHC-UHFFFAOYSA-N 0 1 280.244 -0.526 20 5 CBBDMN CN1C(=O)CN=C1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001149340165 814985856 /nfs/dbraw/zinc/98/58/56/814985856.db2.gz QDDJQMYKLYEWPA-UHFFFAOYSA-N 0 1 278.224 -0.142 20 5 CBBDMN CN(C)C(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001323515953 804037256 /nfs/dbraw/zinc/03/72/56/804037256.db2.gz TVGIPQLPFOOFSE-UHFFFAOYSA-N 0 1 270.249 -0.681 20 5 CBBDMN CN1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC001324084949 804102674 /nfs/dbraw/zinc/10/26/74/804102674.db2.gz ILNXSZZWKYMJFS-RXMQYKEDSA-N 0 1 253.218 -0.722 20 5 CBBDMN Cc1nn(C)c(C(=O)N2CCc3[nH]nnc3C2)c1[N+](=O)[O-] ZINC001324980350 804217490 /nfs/dbraw/zinc/21/74/90/804217490.db2.gz XPBZLKOQGZODRG-UHFFFAOYSA-N 0 1 291.271 -0.047 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(O)(C(=O)OC)C2)c1[N+](=O)[O-] ZINC001152813492 815137253 /nfs/dbraw/zinc/13/72/53/815137253.db2.gz PJCLJRPCANVVPR-UHFFFAOYSA-N 0 1 298.255 -0.760 20 5 CBBDMN CN1C[C@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC001155630485 815300897 /nfs/dbraw/zinc/30/08/97/815300897.db2.gz YJNQZYWMTZONNO-SSDOTTSWSA-N 0 1 281.272 -0.084 20 5 CBBDMN CN1C[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC001155630486 815301587 /nfs/dbraw/zinc/30/15/87/815301587.db2.gz YJNQZYWMTZONNO-ZETCQYMHSA-N 0 1 281.272 -0.084 20 5 CBBDMN CN(C)/C=C/c1cc(-n2nnnc2CN)ncc1[N+](=O)[O-] ZINC001158076450 815501512 /nfs/dbraw/zinc/50/15/12/815501512.db2.gz ARRQTGMUIHCESJ-ONEGZZNKSA-N 0 1 290.287 -0.044 20 5 CBBDMN NCc1nnnn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158074838 815501537 /nfs/dbraw/zinc/50/15/37/815501537.db2.gz LXCRBPYBZCCPMX-UHFFFAOYSA-N 0 1 271.624 -0.684 20 5 CBBDMN O=C(N[C@@]1(CO)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116585135 812280971 /nfs/dbraw/zinc/28/09/71/812280971.db2.gz RPPXDQRKWVQFIM-SECBINFHSA-N 0 1 256.218 -0.801 20 5 CBBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001117737930 812441482 /nfs/dbraw/zinc/44/14/82/812441482.db2.gz XUVQGWJHZHOZTB-IUCAKERBSA-N 0 1 295.299 -0.401 20 5 CBBDMN CN1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC001119568321 812811732 /nfs/dbraw/zinc/81/17/32/812811732.db2.gz DNIRQHMQTHSEIO-UHFFFAOYSA-N 0 1 293.327 -0.005 20 5 CBBDMN NC(=O)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001125080029 813516212 /nfs/dbraw/zinc/51/62/12/813516212.db2.gz LVYHZTZVGWDFHC-UHFFFAOYSA-N 0 1 280.284 -0.324 20 5 CBBDMN Cc1cnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126932281 813694396 /nfs/dbraw/zinc/69/43/96/813694396.db2.gz QEIYREVJUAEJTB-RKDXNWHRSA-N 0 1 268.273 -0.146 20 5 CBBDMN O=C(NCCNCc1csnn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932443 813695401 /nfs/dbraw/zinc/69/54/01/813695401.db2.gz XZVHTUORUWVMLF-HTQZYQBOSA-N 0 1 271.302 -0.591 20 5 CBBDMN O=C(NCCNCc1nncs1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936879 813697029 /nfs/dbraw/zinc/69/70/29/813697029.db2.gz VTPJQLXGTCCXSD-RNFRBKRXSA-N 0 1 271.302 -0.591 20 5 CBBDMN O=C(NCCNCc1nc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936691 813697407 /nfs/dbraw/zinc/69/74/07/813697407.db2.gz QRXXXSUWNQWHEM-RKDXNWHRSA-N 0 1 295.299 -0.182 20 5 CBBDMN CS(=O)(=O)c1cccnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001128556400 813781662 /nfs/dbraw/zinc/78/16/62/813781662.db2.gz FLCQADPPDMVGQU-VXNVDRBHSA-N 0 1 299.308 -0.234 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC001128808073 813803782 /nfs/dbraw/zinc/80/37/82/813803782.db2.gz GXWXEHPBEUFYNF-XLPZGREQSA-N 0 1 276.314 -0.267 20 5 CBBDMN O=C(NC[C@H]1CCCS(=O)(=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001129517428 813846942 /nfs/dbraw/zinc/84/69/42/813846942.db2.gz ACKVFGOYIZAQCF-IWSPIJDZSA-N 0 1 276.314 -0.407 20 5 CBBDMN NC(=O)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133206523 814231727 /nfs/dbraw/zinc/23/17/27/814231727.db2.gz USLKHJZEQSAQLK-UHFFFAOYSA-N 0 1 266.257 -0.714 20 5 CBBDMN Cn1c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]c1=O ZINC001143596290 814771117 /nfs/dbraw/zinc/77/11/17/814771117.db2.gz VWNSYFRZBXAANF-UHFFFAOYSA-N 0 1 266.217 -0.313 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001161337322 815744210 /nfs/dbraw/zinc/74/42/10/815744210.db2.gz ZNQGARIBMMLKHD-SVRRBLITSA-N 0 1 284.272 -0.695 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC001161337320 815744323 /nfs/dbraw/zinc/74/43/23/815744323.db2.gz ZNQGARIBMMLKHD-HTRCEHHLSA-N 0 1 284.272 -0.695 20 5 CBBDMN O=C(NC[C@@H]1CNC(=O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001161854970 815790673 /nfs/dbraw/zinc/79/06/73/815790673.db2.gz FMVKHHBFEXGKON-YFKPBYRVSA-N 0 1 253.218 -0.816 20 5 CBBDMN COc1nc(-n2c(C)nnc2CN)ncc1[N+](=O)[O-] ZINC001163346628 815879504 /nfs/dbraw/zinc/87/95/04/815879504.db2.gz QWAMNNGKNAWJGM-UHFFFAOYSA-N 0 1 265.233 -0.259 20 5 CBBDMN O=C1NC(=O)[C@@H](Nc2c[n+]([O-])ccc2[N+](=O)[O-])S1 ZINC001163666687 815894576 /nfs/dbraw/zinc/89/45/76/815894576.db2.gz NHZVXPFITWFASY-ZETCQYMHSA-N 0 1 270.226 -0.051 20 5 CBBDMN O=C(Nc1cnc2c(c1)CNC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001289700897 816425758 /nfs/dbraw/zinc/42/57/58/816425758.db2.gz DYWIRFZTAXWTLL-HTQZYQBOSA-N 0 1 262.225 -0.071 20 5 CBBDMN CCn1ccnc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292684774 816478735 /nfs/dbraw/zinc/47/87/35/816478735.db2.gz BUBXSDNMKKERIX-RKDXNWHRSA-N 0 1 295.299 -0.586 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncn1 ZINC001293304336 816514905 /nfs/dbraw/zinc/51/49/05/816514905.db2.gz UJSPLNAOEMPEGG-PSASIEDQSA-N 0 1 293.283 -0.622 20 5 CBBDMN O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293965378 816530825 /nfs/dbraw/zinc/53/08/25/816530825.db2.gz KTNKSSWFEJZBEH-HIHLCYOISA-N 0 1 296.283 -0.854 20 5 CBBDMN O=C(CCCF)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001295365471 816563963 /nfs/dbraw/zinc/56/39/63/816563963.db2.gz YJWOMYRCYASDTM-GPTQDWHKSA-N 0 1 299.302 -0.026 20 5 CBBDMN O=C(NCC1CCS(=O)(=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001296015596 816595353 /nfs/dbraw/zinc/59/53/53/816595353.db2.gz XRZQYSBSPZDUQW-RKDXNWHRSA-N 0 1 276.314 -0.407 20 5 CBBDMN CO[C@@H]1COC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001299087033 816708594 /nfs/dbraw/zinc/70/85/94/816708594.db2.gz HNJFRHBEOUMOHJ-CAHLUQPWSA-N 0 1 256.218 -0.539 20 5 CBBDMN COC(=O)C[C@H](C)N(OC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001305933835 816789154 /nfs/dbraw/zinc/78/91/54/816789154.db2.gz ZBZMCUMRDLFYSV-XLPZGREQSA-N 0 1 260.246 -0.007 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)Cn2cc([N+](=O)[O-])nc2C)n1 ZINC001318880334 817146191 /nfs/dbraw/zinc/14/61/91/817146191.db2.gz FAGLQIPKBFALQS-UHFFFAOYSA-N 0 1 293.287 -0.115 20 5 CBBDMN C[C@H](CS(C)(=O)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319718850 817235848 /nfs/dbraw/zinc/23/58/48/817235848.db2.gz YFIANTYIJFAYNR-RXMQYKEDSA-N 0 1 276.274 -0.519 20 5 CBBDMN O=C(NCC1(O)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001320426352 817337110 /nfs/dbraw/zinc/33/71/10/817337110.db2.gz NSJSJAXBBQARCZ-UHFFFAOYSA-N 0 1 270.245 -0.411 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cnc[nH]1 ZINC001320432299 817337948 /nfs/dbraw/zinc/33/79/48/817337948.db2.gz SZTNZGNCBBCCNQ-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CCCOCC1 ZINC001320698063 817378490 /nfs/dbraw/zinc/37/84/90/817378490.db2.gz FEKIUAKGYVFYBZ-UHFFFAOYSA-N 0 1 298.303 -0.975 20 5 CBBDMN CCN(CCNCc1nonc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320734171 817383478 /nfs/dbraw/zinc/38/34/78/817383478.db2.gz DNYPLYVSTVIIMR-MWLCHTKSSA-N 0 1 297.315 -0.019 20 5 CBBDMN C[S@@](=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001321219414 817462926 /nfs/dbraw/zinc/46/29/26/817462926.db2.gz ABYWINUCBSTYGG-GOSISDBHSA-N 0 1 272.286 -0.041 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1cc(OC)c([N+](=O)[O-])cn1 ZINC001165439016 819963100 /nfs/dbraw/zinc/96/31/00/819963100.db2.gz NWXDGERQROYBGG-SECBINFHSA-N 0 1 296.283 -0.050 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001165439615 819964000 /nfs/dbraw/zinc/96/40/00/819964000.db2.gz SBURSHCYSLEGMT-JTQLQIEISA-N 0 1 296.283 -0.512 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1cc([N+](=O)[O-])ccn1 ZINC001165438220 819964283 /nfs/dbraw/zinc/96/42/83/819964283.db2.gz YIRADHXHOYLVIW-VIFPVBQESA-N 0 1 266.257 -0.059 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001165438639 819964322 /nfs/dbraw/zinc/96/43/22/819964322.db2.gz JCDXZQSFXRQUAE-ZETCQYMHSA-N 0 1 297.271 -0.655 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1N ZINC001165443384 819965037 /nfs/dbraw/zinc/96/50/37/819965037.db2.gz VIUZABNCFKBJMS-VIFPVBQESA-N 0 1 281.272 -0.477 20 5 CBBDMN Cc1ncc(CN)c(=N)n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167672670 820110650 /nfs/dbraw/zinc/11/06/50/820110650.db2.gz SBOYZOCZQHXHHH-UHFFFAOYSA-N 0 1 294.246 -0.200 20 5 CBBDMN COC(=O)c1cc(C)nc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001168920349 820191470 /nfs/dbraw/zinc/19/14/70/820191470.db2.gz DONXNWJOTDFVTM-UHFFFAOYSA-N 0 1 293.243 -0.481 20 5 CBBDMN NCc1nnnn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001168919058 820191493 /nfs/dbraw/zinc/19/14/93/820191493.db2.gz UDPMNPLUKLIOAE-UHFFFAOYSA-N 0 1 271.624 -0.684 20 5 CBBDMN CCOc1cnc(-n2nnnc2CN)c([N+](=O)[O-])c1 ZINC001168919340 820191667 /nfs/dbraw/zinc/19/16/67/820191667.db2.gz ZYIBZTYWLBFAGF-UHFFFAOYSA-N 0 1 265.233 -0.177 20 5 CBBDMN COc1cc(-n2nnnc2CN)cnc1[N+](=O)[O-] ZINC001168923663 820192563 /nfs/dbraw/zinc/19/25/63/820192563.db2.gz BVFLFSMCYXAMGI-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN NCc1nnnn1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001168924742 820194528 /nfs/dbraw/zinc/19/45/28/820194528.db2.gz RIULQDJZNJROFM-UHFFFAOYSA-N 0 1 261.205 -0.928 20 5 CBBDMN O=C1CN(C2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038461 820201591 /nfs/dbraw/zinc/20/15/91/820201591.db2.gz YXSICHFXURSKON-MNOVXSKESA-N 0 1 282.344 -0.452 20 5 CBBDMN NC(=O)[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040202 820202240 /nfs/dbraw/zinc/20/22/40/820202240.db2.gz YRALAMBUAXGTTR-UTLUCORTSA-N 0 1 257.290 -0.382 20 5 CBBDMN O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H]1COCCN1 ZINC001170046293 820275471 /nfs/dbraw/zinc/27/54/71/820275471.db2.gz XCTHLBZUGROPKY-MRVPVSSYSA-N 0 1 254.246 -0.372 20 5 CBBDMN Nc1ccnc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001170046026 820275792 /nfs/dbraw/zinc/27/57/92/820275792.db2.gz VFWFTBYQMWRPSL-ZETCQYMHSA-N 0 1 253.262 -0.028 20 5 CBBDMN NC(=O)c1ccnc(NC[C@@H]2COCCN2)c1[N+](=O)[O-] ZINC001170042640 820275943 /nfs/dbraw/zinc/27/59/43/820275943.db2.gz RHUCPIOSFXLZRI-SSDOTTSWSA-N 0 1 281.272 -0.511 20 5 CBBDMN CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001170858617 820327749 /nfs/dbraw/zinc/32/77/49/820327749.db2.gz LWJGNUQPINILSQ-JTQLQIEISA-N 0 1 269.261 -0.442 20 5 CBBDMN O=C(N[C@H](CO)[C@@H](O)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001171165994 820349551 /nfs/dbraw/zinc/34/95/51/820349551.db2.gz FPQPRJBOBOOCIJ-DBIOUOCHSA-N 0 1 281.268 -0.743 20 5 CBBDMN COC(=O)c1cc(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC001180252747 820661879 /nfs/dbraw/zinc/66/18/79/820661879.db2.gz POCPMIIWNUCJGO-GMSGAONNSA-N 0 1 294.267 -0.213 20 5 CBBDMN CCC(=O)NCCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280895438 828380857 /nfs/dbraw/zinc/38/08/57/828380857.db2.gz DFFVHCKDHVJRPL-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN COCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001282072127 828432813 /nfs/dbraw/zinc/43/28/13/828432813.db2.gz LFJHSUORYHETDL-UTINFBMNSA-N 0 1 285.300 -0.691 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC001195012088 824098373 /nfs/dbraw/zinc/09/83/73/824098373.db2.gz GPABCQXXIZBCKO-RAIGVLPGSA-N 0 1 282.296 -0.087 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](CO)[C@H](O)C2)c1 ZINC001195012088 824098381 /nfs/dbraw/zinc/09/83/81/824098381.db2.gz GPABCQXXIZBCKO-RAIGVLPGSA-N 0 1 282.296 -0.087 20 5 CBBDMN NC1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CNC1 ZINC001212129906 824501907 /nfs/dbraw/zinc/50/19/07/824501907.db2.gz MJAAGAYDBFAHBW-UHFFFAOYSA-N 0 1 280.219 -0.064 20 5 CBBDMN C[C@@H](CF)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001213702812 824515203 /nfs/dbraw/zinc/51/52/03/824515203.db2.gz QWZUOUOGGJSWPP-YFKPBYRVSA-N 0 1 266.254 -0.035 20 5 CBBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccon1 ZINC001285485095 828663192 /nfs/dbraw/zinc/66/31/92/828663192.db2.gz ARNLODJQVIUMHZ-ZYFAAYQBSA-N 0 1 294.267 -0.258 20 5 CBBDMN CC(=O)c1cnc(=O)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226240801 825273355 /nfs/dbraw/zinc/27/33/55/825273355.db2.gz VIPXNXHJOVJMNM-SECBINFHSA-O 0 1 298.319 -0.253 20 5 CBBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001257242090 826043091 /nfs/dbraw/zinc/04/30/91/826043091.db2.gz SLNYTHCDCDQDSO-UHFFFAOYSA-N 0 1 298.284 -0.071 20 5 CBBDMN O=C(OCc1nnc2n1CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001263521537 826769299 /nfs/dbraw/zinc/76/92/99/826769299.db2.gz LYXDHEXGEAQHMR-HTQZYQBOSA-N 0 1 282.256 -0.441 20 5 CBBDMN Cc1nnc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001264985424 826832259 /nfs/dbraw/zinc/83/22/59/826832259.db2.gz YLKCDDNZGFGIRO-NXEZZACHSA-N 0 1 296.331 -0.284 20 5 CBBDMN Cc1noc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001268237576 827268535 /nfs/dbraw/zinc/26/85/35/827268535.db2.gz LTFFGNJCYUICPH-NXEZZACHSA-N 0 1 297.315 -0.067 20 5 CBBDMN CCN(CCNCc1nncn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450566 827331627 /nfs/dbraw/zinc/33/16/27/827331627.db2.gz XUTIOHAJMNEXOO-NXEZZACHSA-N 0 1 296.331 -0.582 20 5 CBBDMN CC(=O)N(CCO)CCNCc1c([N+](=O)[O-])ncn1C ZINC001272090510 827755877 /nfs/dbraw/zinc/75/58/77/827755877.db2.gz CCFUQIKQJKCQMR-UHFFFAOYSA-N 0 1 285.304 -0.741 20 5 CBBDMN Cc1nonc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001274014780 827952836 /nfs/dbraw/zinc/95/28/36/827952836.db2.gz CJXYTHRDZZQBAR-ONKIFHLLSA-N 0 1 295.299 -0.195 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2COCCN2)n1 ZINC001325894990 884838939 /nfs/dbraw/zinc/83/89/39/884838939.db2.gz CVRUOWBFOVAVIR-ZETCQYMHSA-N 0 1 294.271 -0.091 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1 ZINC001326305639 884982452 /nfs/dbraw/zinc/98/24/52/884982452.db2.gz JCMXRJLWYGXNMA-VIFPVBQESA-N 0 1 280.284 -0.423 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001326744396 885128007 /nfs/dbraw/zinc/12/80/07/885128007.db2.gz CJGHUNVIPVWBQD-UHFFFAOYSA-N 0 1 279.260 -0.042 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC001326995725 885218775 /nfs/dbraw/zinc/21/87/75/885218775.db2.gz FQGTXRHCDCLGTM-HTQZYQBOSA-N 0 1 284.272 -0.558 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCCN(C=O)CC2)c1[N+](=O)[O-] ZINC001327913991 885525974 /nfs/dbraw/zinc/52/59/74/885525974.db2.gz QYVBKKLGKKYQRZ-UHFFFAOYSA-N 0 1 281.272 -0.069 20 5 CBBDMN N[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[C@H]1F ZINC001327942395 885537793 /nfs/dbraw/zinc/53/77/93/885537793.db2.gz ZQUNDHXRWVRDFL-RKDXNWHRSA-N 0 1 298.274 -0.346 20 5 CBBDMN C[C@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1C ZINC001332477416 887311004 /nfs/dbraw/zinc/31/10/04/887311004.db2.gz KDFPVPVWZOHNPX-VHSXEESVSA-N 0 1 294.311 -0.035 20 5 CBBDMN C[C@@H](C[S@@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001337707050 889068740 /nfs/dbraw/zinc/06/87/40/889068740.db2.gz HEJFSZQOGJPTME-IEMIWKFJSA-N 0 1 260.275 -0.185 20 5 CBBDMN C[C@H](CN(C)C(=O)c1c([N+](=O)[O-])cnn1C)c1nn[nH]n1 ZINC001342900810 889842422 /nfs/dbraw/zinc/84/24/22/889842422.db2.gz ZZBRARMHHDKOEU-ZCFIWIBFSA-N 0 1 294.275 -0.283 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001344120811 890006200 /nfs/dbraw/zinc/00/62/00/890006200.db2.gz POAUQHOJJZMAOR-GFCCVEGCSA-N 0 1 293.283 -0.021 20 5 CBBDMN NC1(c2noc(Cn3cnc([N+](=O)[O-])n3)n2)CCC1 ZINC001345929954 890183530 /nfs/dbraw/zinc/18/35/30/890183530.db2.gz IHUUSKMVJWRTSK-UHFFFAOYSA-N 0 1 265.233 -0.045 20 5 CBBDMN Cn1cnc(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001346081314 890210654 /nfs/dbraw/zinc/21/06/54/890210654.db2.gz DFHXOUFILAKOPG-UHFFFAOYSA-N 0 1 279.260 -0.191 20 5 CBBDMN O=CN1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001347758151 890509452 /nfs/dbraw/zinc/50/94/52/890509452.db2.gz ALIMCOYVRZBQSK-GFCCVEGCSA-N 0 1 297.315 -0.684 20 5 CBBDMN COC(=O)[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC001350300364 890962177 /nfs/dbraw/zinc/96/21/77/890962177.db2.gz IEOPNKDLAILXDY-JQCXWYLXSA-N 0 1 272.257 -0.560 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(F)F ZINC001355591374 891692842 /nfs/dbraw/zinc/69/28/42/891692842.db2.gz BXEFWJJOMCUBKF-PHDIDXHHSA-N 0 1 265.216 -0.509 20 5 CBBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC001361000404 892066954 /nfs/dbraw/zinc/06/69/54/892066954.db2.gz ZXPONRUIIPKDBR-RNFRBKRXSA-N 0 1 264.303 -0.409 20 5 CBBDMN O=C(N[C@@H](CO)[C@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC001451446086 913843091 /nfs/dbraw/zinc/84/30/91/913843091.db2.gz MBRWWAQYMWRMDP-QCLAVDOMSA-N 0 1 258.274 -0.445 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N2CC(CO)(CO)C2)c1[N+](=O)[O-] ZINC001455620693 914380873 /nfs/dbraw/zinc/38/08/73/914380873.db2.gz GNRCXWXLRUWGBZ-UHFFFAOYSA-N 0 1 298.299 -0.132 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(COCCO)CC1 ZINC001455930804 914418888 /nfs/dbraw/zinc/41/88/88/914418888.db2.gz YAZHTTFCISIVEL-NXEZZACHSA-N 0 1 288.300 -0.986 20 5 CBBDMN O=C(NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC001435717133 910408684 /nfs/dbraw/zinc/40/86/84/910408684.db2.gz NFSKCCUAOBTDIV-IVZWLZJFSA-N 0 1 286.284 -0.310 20 5 CBBDMN CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001439293237 911164981 /nfs/dbraw/zinc/16/49/81/911164981.db2.gz PJOMOJSOGFHRGE-HTQZYQBOSA-N 0 1 291.329 -0.808 20 5 CBBDMN COCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC001468695549 915321874 /nfs/dbraw/zinc/32/18/74/915321874.db2.gz WLUUQCXWCNDZLE-GJMOJQLCSA-N 0 1 260.246 -0.654 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001469084877 915368165 /nfs/dbraw/zinc/36/81/65/915368165.db2.gz STZYTLDNSUTSJK-HTQZYQBOSA-N 0 1 284.272 -0.558 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001469084947 915368640 /nfs/dbraw/zinc/36/86/40/915368640.db2.gz STZYTLDNSUTSJK-YUMQZZPRSA-N 0 1 284.272 -0.558 20 5 CBBDMN Cn1cc(CN2C[C@H](CCO)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC001473894410 915878344 /nfs/dbraw/zinc/87/83/44/915878344.db2.gz XGDFYTVPEQTUAO-ONGXEEELSA-N 0 1 284.316 -0.249 20 5 CBBDMN CC(C)NC(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480862953 916588590 /nfs/dbraw/zinc/58/85/90/916588590.db2.gz JIXINAUDHLMFMI-NXEZZACHSA-N 0 1 286.332 -0.776 20 5 CBBDMN CCCNC(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001483863120 917697950 /nfs/dbraw/zinc/69/79/50/917697950.db2.gz NJQZRSKBTMAOKJ-GHMZBOCLSA-N 0 1 298.343 -0.680 20 5 CBBDMN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001496014180 920006382 /nfs/dbraw/zinc/00/63/82/920006382.db2.gz ZOIWWPZLKLVASN-PSASIEDQSA-N 0 1 296.283 -0.164 20 5 CBBDMN COCC(=O)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512577026 922174641 /nfs/dbraw/zinc/17/46/41/922174641.db2.gz WLKQFNYRFPIETE-NXEZZACHSA-N 0 1 299.327 -0.299 20 5 CBBDMN O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1CC1[N+](=O)[O-] ZINC001521562730 922370036 /nfs/dbraw/zinc/37/00/36/922370036.db2.gz WFTMTFLAXOZKGO-XLPZGREQSA-N 0 1 262.287 -0.655 20 5 CBBDMN Cc1c[nH]nc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522909452 922547795 /nfs/dbraw/zinc/54/77/95/922547795.db2.gz WVBKZUBJOARDBV-RKDXNWHRSA-N 0 1 295.299 -0.381 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001525963829 922683778 /nfs/dbraw/zinc/68/37/78/922683778.db2.gz LFXPDKFKRGVWHC-IWSPIJDZSA-N 0 1 276.314 -0.313 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001527749090 922770337 /nfs/dbraw/zinc/77/03/37/922770337.db2.gz NYCQYXFFZAEFPU-HSUXUTPPSA-N 0 1 283.206 -0.165 20 5 CBBDMN CC(C)OCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530430266 922935292 /nfs/dbraw/zinc/93/52/92/922935292.db2.gz CNDDSKOFWIAOFL-NXEZZACHSA-N 0 1 285.300 -0.596 20 5 CBBDMN COCCNC(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001532347305 923030500 /nfs/dbraw/zinc/03/05/00/923030500.db2.gz DBBVHMLOXLRHCZ-GHMZBOCLSA-N 0 1 299.327 -0.347 20 5 CBBDMN COCCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535142080 923182130 /nfs/dbraw/zinc/18/21/30/923182130.db2.gz ZSAPXXQBJDPABE-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537823784 923240861 /nfs/dbraw/zinc/24/08/61/923240861.db2.gz KIDLVAIXBOYMBN-ZYUZMQFOSA-N 0 1 286.284 -0.122 20 5 CBBDMN CCc1nncn1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001544230372 923303379 /nfs/dbraw/zinc/30/33/79/923303379.db2.gz ZHWWKTJRCIJUDO-HTQZYQBOSA-N 0 1 253.262 -0.378 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CO)(CO)CC1 ZINC001558252559 924158273 /nfs/dbraw/zinc/15/82/73/924158273.db2.gz UXSOOVFJNVGHPW-RKDXNWHRSA-N 0 1 258.274 -0.755 20 5 CBBDMN O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1n[nH]cc1[N+](=O)[O-] ZINC001558264281 924158666 /nfs/dbraw/zinc/15/86/66/924158666.db2.gz PXYBZDXRJQJELX-FJXKBIBVSA-N 0 1 282.256 -0.148 20 5 CBBDMN CO[C@@H]1CCOC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001558546022 924181227 /nfs/dbraw/zinc/18/12/27/924181227.db2.gz SJVUIKXCQNBOBU-HTRCEHHLSA-N 0 1 270.245 -0.148 20 5 CBBDMN Cc1nc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC001558695074 924193913 /nfs/dbraw/zinc/19/39/13/924193913.db2.gz LXEARPUIEKLLAW-UHFFFAOYSA-N 0 1 265.233 -0.315 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC[C@@H]1C ZINC000126297853 187231043 /nfs/dbraw/zinc/23/10/43/187231043.db2.gz SUQFBNAAPWTEHE-QMMMGPOBSA-N 0 1 267.289 -0.080 20 5 CBBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000311399764 201888837 /nfs/dbraw/zinc/88/88/37/201888837.db2.gz FMRHKJAZAGFYFN-RXMQYKEDSA-N 0 1 291.260 -0.114 20 5 CBBDMN CCN1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1=O ZINC000273449368 192154227 /nfs/dbraw/zinc/15/42/27/192154227.db2.gz FTRPLHCEBRHZGR-UHFFFAOYSA-N 0 1 281.272 -0.069 20 5 CBBDMN CN(C)CC(=O)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000046478831 351454306 /nfs/dbraw/zinc/45/43/06/351454306.db2.gz KHVWFGBJKHLNNU-UHFFFAOYSA-N 0 1 296.331 -0.462 20 5 CBBDMN CC(C)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000049033061 351483921 /nfs/dbraw/zinc/48/39/21/351483921.db2.gz GGYGQIBPODSPBE-UHFFFAOYSA-N 0 1 282.304 -0.261 20 5 CBBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCNCC1 ZINC000053299352 351526865 /nfs/dbraw/zinc/52/68/65/351526865.db2.gz FNJJDFPLJJAHBE-UHFFFAOYSA-N 0 1 253.262 -0.387 20 5 CBBDMN CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000068104540 351614936 /nfs/dbraw/zinc/61/49/36/351614936.db2.gz VGVMQGWDQPGXTE-MNOVXSKESA-N 0 1 298.343 -0.678 20 5 CBBDMN O=C(NCCCc1nc[nH]n1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000080570043 351697942 /nfs/dbraw/zinc/69/79/42/351697942.db2.gz BZEXEMWNYVSKLF-UHFFFAOYSA-N 0 1 292.255 -0.236 20 5 CBBDMN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000081374732 351705254 /nfs/dbraw/zinc/70/52/54/351705254.db2.gz TWKGMPALEBYQTO-VFCFLDTKSA-N 0 1 267.285 -0.223 20 5 CBBDMN CN(C)C(=O)CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075619332 351668715 /nfs/dbraw/zinc/66/87/15/351668715.db2.gz CBHQIGJJZIUTHK-SNVBAGLBSA-N 0 1 285.304 -0.828 20 5 CBBDMN O=C1CCN(CCn2ccc([N+](=O)[O-])n2)CCN1 ZINC000176229086 352063394 /nfs/dbraw/zinc/06/33/94/352063394.db2.gz XWACCARHQZMCGW-UHFFFAOYSA-N 0 1 253.262 -0.387 20 5 CBBDMN CN(CC(=O)NC1CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173501274 352037556 /nfs/dbraw/zinc/03/75/56/352037556.db2.gz DRADBXSIQGBFMK-NSHDSACASA-N 0 1 297.315 -0.637 20 5 CBBDMN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1CCO ZINC000187696465 352140973 /nfs/dbraw/zinc/14/09/73/352140973.db2.gz KYACOVYKPWDWAA-LLVKDONJSA-N 0 1 283.332 -0.210 20 5 CBBDMN Cn1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000213173277 352229687 /nfs/dbraw/zinc/22/96/87/352229687.db2.gz MQQVBMFVDPOWGC-NSHDSACASA-N 0 1 280.288 -0.325 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2C[C@H](O)C[C@H]2CO)c1 ZINC000248390293 352351798 /nfs/dbraw/zinc/35/17/98/352351798.db2.gz HYFHKAKOLMQRPL-WCBMZHEXSA-N 0 1 256.262 -0.781 20 5 CBBDMN C[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O ZINC000248935426 352358575 /nfs/dbraw/zinc/35/85/75/352358575.db2.gz NDNZQPUZEQHOCY-ZJUUUORDSA-N 0 1 272.305 -0.145 20 5 CBBDMN COC(=O)N1CC(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270709986 352498363 /nfs/dbraw/zinc/49/83/63/352498363.db2.gz COVKBMXNTQCHLU-UHFFFAOYSA-N 0 1 269.217 -0.502 20 5 CBBDMN CCn1cc(S(=O)(=O)NCCN(C)C)c([N+](=O)[O-])n1 ZINC000330461953 352829153 /nfs/dbraw/zinc/82/91/53/352829153.db2.gz XUSBISCQVMLEDU-UHFFFAOYSA-N 0 1 291.333 -0.349 20 5 CBBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000152727611 188038631 /nfs/dbraw/zinc/03/86/31/188038631.db2.gz PTJXVVTVGSQBTO-YFKPBYRVSA-N 0 1 256.218 -0.001 20 5 CBBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000153727129 188100143 /nfs/dbraw/zinc/10/01/43/188100143.db2.gz SMQHZYZKKMIKFH-JTQLQIEISA-N 0 1 296.331 -0.015 20 5 CBBDMN O=C(N[C@@H]1CCCCNC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343097461 353251966 /nfs/dbraw/zinc/25/19/66/353251966.db2.gz IKARPUYPASQLKF-ZCFIWIBFSA-N 0 1 267.245 -0.284 20 5 CBBDMN CC(C)C(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343182980 353257851 /nfs/dbraw/zinc/25/78/51/353257851.db2.gz JIILJAWXWAIFJY-UHFFFAOYSA-N 0 1 269.261 -0.180 20 5 CBBDMN O=C(NCCn1ccccc1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343496537 353275679 /nfs/dbraw/zinc/27/56/79/353275679.db2.gz IFGNDPKVOLKTTK-UHFFFAOYSA-N 0 1 277.240 -0.090 20 5 CBBDMN CN(C)C(=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343219186 353260226 /nfs/dbraw/zinc/26/02/26/353260226.db2.gz CXXNETLYQZKUQB-UHFFFAOYSA-N 0 1 269.261 -0.084 20 5 CBBDMN CN1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000343333138 353268840 /nfs/dbraw/zinc/26/88/40/353268840.db2.gz GHIXGBRTFLXJJA-RXMQYKEDSA-N 0 1 253.218 -0.722 20 5 CBBDMN CCNC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343865549 353295409 /nfs/dbraw/zinc/29/54/09/353295409.db2.gz NABCMLKZEAICKS-ZETCQYMHSA-N 0 1 296.287 -0.149 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CC[NH3+])c([N+](=O)[O-])n1 ZINC000353221963 353528890 /nfs/dbraw/zinc/52/88/90/353528890.db2.gz YKGNMMCGDRNRRT-UHFFFAOYSA-N 0 1 263.279 -0.952 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]C(C)(C)C[NH3+])c([N+](=O)[O-])n1 ZINC000353219338 353529296 /nfs/dbraw/zinc/52/92/96/353529296.db2.gz RZHWXMLVICOMBO-UHFFFAOYSA-N 0 1 291.333 -0.173 20 5 CBBDMN Cc1n[n-]c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358060121 353623853 /nfs/dbraw/zinc/62/38/53/353623853.db2.gz DVIHCUAUPFOCSG-NSHDSACASA-N 0 1 283.288 -0.577 20 5 CBBDMN Cc1n[n-]c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358060121 353623855 /nfs/dbraw/zinc/62/38/55/353623855.db2.gz DVIHCUAUPFOCSG-NSHDSACASA-N 0 1 283.288 -0.577 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000373563094 353733394 /nfs/dbraw/zinc/73/33/94/353733394.db2.gz TTWQCUCQWFPLNQ-BGZDPUMWSA-N 0 1 256.258 -0.081 20 5 CBBDMN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000371671419 353705261 /nfs/dbraw/zinc/70/52/61/353705261.db2.gz MHYQRXYWICSNTJ-HLTSFMKQSA-N 0 1 279.300 -0.063 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1c1nc[nH]n1 ZINC000375293587 353757571 /nfs/dbraw/zinc/75/75/71/353757571.db2.gz SWJCEKDUUQCFLI-BWZBUEFSSA-N 0 1 267.245 -0.630 20 5 CBBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC[C@@H]1c1nnc[nH]1 ZINC000375293587 353757574 /nfs/dbraw/zinc/75/75/74/353757574.db2.gz SWJCEKDUUQCFLI-BWZBUEFSSA-N 0 1 267.245 -0.630 20 5 CBBDMN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000376189396 353772763 /nfs/dbraw/zinc/77/27/63/353772763.db2.gz SMSGCLMWHYFIJJ-RHYQMDGZSA-N 0 1 283.328 -0.027 20 5 CBBDMN O=C(N[C@H]1CCC(=O)NC12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000374651465 353747415 /nfs/dbraw/zinc/74/74/15/353747415.db2.gz AVZLQNFSLNVPAB-HLTSFMKQSA-N 0 1 267.285 -0.031 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)CN1C ZINC000408071593 353843765 /nfs/dbraw/zinc/84/37/65/353843765.db2.gz OBBLRIXXDNAFCG-RKDXNWHRSA-N 0 1 282.304 -0.263 20 5 CBBDMN COC(=O)[C@@H]1CN(C)CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000413505579 353956440 /nfs/dbraw/zinc/95/64/40/353956440.db2.gz VBGIFJXAPMVXQJ-SECBINFHSA-N 0 1 297.315 -0.131 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000479771852 354408390 /nfs/dbraw/zinc/40/83/90/354408390.db2.gz NMVHJRBDTNHTQJ-LJGSYFOKSA-N 0 1 289.317 -0.421 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000545988148 354650473 /nfs/dbraw/zinc/65/04/73/354650473.db2.gz KHROUQXRYMUPRE-APPZFPTMSA-N 0 1 298.299 -0.304 20 5 CBBDMN [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000567830700 354799940 /nfs/dbraw/zinc/79/99/40/354799940.db2.gz QRMPTCSSBZJUAK-LURJTMIESA-N 0 1 252.230 -0.131 20 5 CBBDMN O=C(NCCc1nc[nH]n1)c1cc([N+](=O)[O-])n[nH]1 ZINC000570056605 354853850 /nfs/dbraw/zinc/85/38/50/354853850.db2.gz VPQYFTOHNLYBMQ-UHFFFAOYSA-N 0 1 251.206 -0.592 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000575870612 354937791 /nfs/dbraw/zinc/93/77/91/354937791.db2.gz GZNVWUIKSXVNMR-UHFFFAOYSA-N 0 1 267.245 -0.426 20 5 CBBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583630902 355021298 /nfs/dbraw/zinc/02/12/98/355021298.db2.gz YPAFMABQTMIRAB-QMSLJYSESA-N 0 1 284.297 -0.514 20 5 CBBDMN O=C(NC[C@H]1CN2CCN1CCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000585682913 355048616 /nfs/dbraw/zinc/04/86/16/355048616.db2.gz XHLNLYHZTSTMFQ-VIFPVBQESA-N 0 1 294.315 -0.562 20 5 CBBDMN COC(=O)[C@H]1C[C@@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198821 355140332 /nfs/dbraw/zinc/14/03/32/355140332.db2.gz OYKQFOSXJUGEKQ-VHSXEESVSA-N 0 1 298.299 -0.353 20 5 CBBDMN O=C1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CN1 ZINC000594773312 355260722 /nfs/dbraw/zinc/26/07/22/355260722.db2.gz QJWKRXWOHLFCMO-LURJTMIESA-N 0 1 286.269 -0.843 20 5 CBBDMN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(O)CNC1 ZINC000595952884 355326638 /nfs/dbraw/zinc/32/66/38/355326638.db2.gz BVRHTVVQYQGDAQ-UHFFFAOYSA-N 0 1 278.268 -0.791 20 5 CBBDMN NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000596620307 355360700 /nfs/dbraw/zinc/36/07/00/355360700.db2.gz DGTAHLICZWDTIO-KOLCDFICSA-N 0 1 281.268 -0.279 20 5 CBBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(O)(CO)C1 ZINC000597706509 355411217 /nfs/dbraw/zinc/41/12/17/355411217.db2.gz UVIYDNQGBGWCKM-UHFFFAOYSA-N 0 1 292.251 -0.350 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598163046 355433300 /nfs/dbraw/zinc/43/33/00/355433300.db2.gz MHEJKTMDPCHEDU-UHFFFAOYSA-N 0 1 267.289 -0.038 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000598164812 355433365 /nfs/dbraw/zinc/43/33/65/355433365.db2.gz WOCCTTLKKNAHKQ-UHFFFAOYSA-N 0 1 267.289 -0.038 20 5 CBBDMN CN(CC1CN(C)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598161996 355433505 /nfs/dbraw/zinc/43/35/05/355433505.db2.gz FSRGGOZNLFLYRQ-UHFFFAOYSA-N 0 1 267.289 -0.189 20 5 CBBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000599531641 355496426 /nfs/dbraw/zinc/49/64/26/355496426.db2.gz HTICRBQHTSHOIZ-DLOVCJGASA-N 0 1 298.295 -0.628 20 5 CBBDMN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599102706 355464404 /nfs/dbraw/zinc/46/44/04/355464404.db2.gz SPEGFUOMTTXVGV-ZCFIWIBFSA-N 0 1 277.306 -0.786 20 5 CBBDMN C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000599105415 355464611 /nfs/dbraw/zinc/46/46/11/355464611.db2.gz CIKNWYGEQGSNTG-NTSWFWBYSA-N 0 1 277.306 -0.658 20 5 CBBDMN COC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204461 355472387 /nfs/dbraw/zinc/47/23/87/355472387.db2.gz AWWRBJFVYNVIOI-ZCFIWIBFSA-N 0 1 278.290 -0.359 20 5 CBBDMN CC[C@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245121 355473716 /nfs/dbraw/zinc/47/37/16/355473716.db2.gz QGGUJBZNDBHURO-SSDOTTSWSA-N 0 1 292.317 -0.232 20 5 CBBDMN CC[C@@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599329486 355481247 /nfs/dbraw/zinc/48/12/47/355481247.db2.gz LYIKXTNGOJXQDQ-ZCFIWIBFSA-N 0 1 278.290 -0.623 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599940246 355519939 /nfs/dbraw/zinc/51/99/39/355519939.db2.gz NDZACYUSOMZZIC-RKDXNWHRSA-N 0 1 295.299 -0.401 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599940246 355519942 /nfs/dbraw/zinc/51/99/42/355519942.db2.gz NDZACYUSOMZZIC-RKDXNWHRSA-N 0 1 295.299 -0.401 20 5 CBBDMN O=C(NCCN1CC[C@H](O)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600807350 355566390 /nfs/dbraw/zinc/56/63/90/355566390.db2.gz BBSARXISUJYFPT-ZETCQYMHSA-N 0 1 269.261 -0.886 20 5 CBBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCc1nn[nH]n1 ZINC000609493738 355770264 /nfs/dbraw/zinc/77/02/64/355770264.db2.gz YQBVAUSYWLOKCD-UHFFFAOYSA-N 0 1 277.244 -0.164 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H](O)C1 ZINC000613978666 355925570 /nfs/dbraw/zinc/92/55/70/355925570.db2.gz QSHDBRDTHHTEAM-PHIMTYICSA-N 0 1 282.252 -0.132 20 5 CBBDMN CN1CC2(C1)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000619251675 356212699 /nfs/dbraw/zinc/21/26/99/356212699.db2.gz LLSILVPMNRVHAL-UHFFFAOYSA-N 0 1 279.300 -0.045 20 5 CBBDMN O=C(N[C@H](CO)CN1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000298619439 200484414 /nfs/dbraw/zinc/48/44/14/200484414.db2.gz OZYSNRWXXVQCCL-VIFPVBQESA-N 0 1 297.315 -0.106 20 5 CBBDMN O=c1nc(CCCNc2ncc([N+](=O)[O-])cn2)[nH][nH]1 ZINC000302118537 201349259 /nfs/dbraw/zinc/34/92/59/201349259.db2.gz SNWSUBZYUJPYBG-UHFFFAOYSA-N 0 1 265.233 -0.159 20 5 CBBDMN CC(C)N1C(=O)C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000343993916 217008079 /nfs/dbraw/zinc/00/80/79/217008079.db2.gz AJRISNKZLNBLHC-LURJTMIESA-N 0 1 295.255 -0.416 20 5 CBBDMN COC(=O)[C@@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267812314 372915682 /nfs/dbraw/zinc/91/56/82/372915682.db2.gz RMUWZMUEMJEQCA-ZETCQYMHSA-N 0 1 298.255 -0.360 20 5 CBBDMN COC(=O)[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267812311 372916031 /nfs/dbraw/zinc/91/60/31/372916031.db2.gz RMUWZMUEMJEQCA-SSDOTTSWSA-N 0 1 298.255 -0.360 20 5 CBBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1COC[C@@H]1O ZINC000352795689 373107730 /nfs/dbraw/zinc/10/77/30/373107730.db2.gz UAQZAFHYQQSVJK-IUCAKERBSA-N 0 1 256.262 -0.517 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000360738717 373231360 /nfs/dbraw/zinc/23/13/60/373231360.db2.gz LAMFZQMDXKCTCC-KATARQTJSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000364163863 373520580 /nfs/dbraw/zinc/52/05/80/373520580.db2.gz ARPMVAQJAALVLC-VAOFZXAKSA-N 0 1 253.258 -0.610 20 5 CBBDMN COC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363342490 373487790 /nfs/dbraw/zinc/48/77/90/373487790.db2.gz CYMPIALIWRENCC-ZJUUUORDSA-N 0 1 285.300 -0.641 20 5 CBBDMN CC(=O)NCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000520576775 373832392 /nfs/dbraw/zinc/83/23/92/373832392.db2.gz WCWHFMMFSDYQMK-UHFFFAOYSA-N 0 1 255.278 -0.141 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-] ZINC000550159899 374232524 /nfs/dbraw/zinc/23/25/24/374232524.db2.gz RGIXTKDMJJIGRL-UHFFFAOYSA-N 0 1 281.228 -0.933 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000561784855 374301928 /nfs/dbraw/zinc/30/19/28/374301928.db2.gz NAQOLDHVJGWQRK-PWSUYJOCSA-N 0 1 297.311 -0.568 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)CC(=O)NC2CC2)c1[N+](=O)[O-] ZINC000264299308 190101848 /nfs/dbraw/zinc/10/18/48/190101848.db2.gz RHTUDGQJXGIHHI-UHFFFAOYSA-N 0 1 281.272 -0.023 20 5 CBBDMN CN(CC(N)=O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356349146 248237788 /nfs/dbraw/zinc/23/77/88/248237788.db2.gz UPQNCGMLUZVLFQ-UHFFFAOYSA-N 0 1 253.214 -0.142 20 5 CBBDMN CN(C[C@@H](O)CO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357593291 248378462 /nfs/dbraw/zinc/37/84/62/248378462.db2.gz BIGIHKZNLJOTHD-SNVBAGLBSA-N 0 1 270.241 -0.274 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000347508356 218258417 /nfs/dbraw/zinc/25/84/17/218258417.db2.gz AWHOIOOKXPLYIY-POYBYMJQSA-N 0 1 284.272 -0.152 20 5 CBBDMN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2nn[nH]n2)n1 ZINC000427858061 208072683 /nfs/dbraw/zinc/07/26/83/208072683.db2.gz SAARXYKVAZQSQU-UHFFFAOYSA-N 0 1 294.275 -0.011 20 5 CBBDMN Cn1nnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000428847550 208103083 /nfs/dbraw/zinc/10/30/83/208103083.db2.gz VLRSMMMXZXHFHR-UHFFFAOYSA-N 0 1 278.228 -0.246 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000428570666 208093361 /nfs/dbraw/zinc/09/33/61/208093361.db2.gz IGISVSPVJGPOTD-ZETCQYMHSA-N 0 1 281.272 -0.071 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CCc3nn[nH]c3C2)c1 ZINC000429308300 208119744 /nfs/dbraw/zinc/11/97/44/208119744.db2.gz QLTZOENOUBSYTJ-UHFFFAOYSA-N 0 1 263.261 -0.032 20 5 CBBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1nnc[nH]1 ZINC000354243654 220629609 /nfs/dbraw/zinc/62/96/09/220629609.db2.gz PLCYJIROGOHJSS-UHFFFAOYSA-N 0 1 263.217 -0.181 20 5 CBBDMN COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377482749 533649670 /nfs/dbraw/zinc/64/96/70/533649670.db2.gz SDMNHHMMDOHGIS-HLTSFMKQSA-N 0 1 272.257 -0.558 20 5 CBBDMN C[C@@H](O)CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000275381089 135105601 /nfs/dbraw/zinc/10/56/01/135105601.db2.gz PDPGNIWGUVTANI-DTWKUNHWSA-N 0 1 296.331 -0.142 20 5 CBBDMN C[C@H](O)CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000275381091 135105810 /nfs/dbraw/zinc/10/58/10/135105810.db2.gz PDPGNIWGUVTANI-IUCAKERBSA-N 0 1 296.331 -0.142 20 5 CBBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCN(C)CC1 ZINC000285390629 196269811 /nfs/dbraw/zinc/26/98/11/196269811.db2.gz CALUUKJKODLLQX-SECBINFHSA-N 0 1 296.331 -0.316 20 5 CBBDMN CN1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285642840 196353444 /nfs/dbraw/zinc/35/34/44/196353444.db2.gz FLVBLHBFVKPUGN-ZJUUUORDSA-N 0 1 295.299 -0.137 20 5 CBBDMN O=C(CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCNCC1 ZINC000040507909 419420930 /nfs/dbraw/zinc/42/09/30/419420930.db2.gz DAQGKWYOSMKRKH-UHFFFAOYSA-N 0 1 298.324 -0.182 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000264184996 419602676 /nfs/dbraw/zinc/60/26/76/419602676.db2.gz ALXXQPYPJDDEGI-ZCFIWIBFSA-N 0 1 267.245 -0.413 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000365809162 420069128 /nfs/dbraw/zinc/06/91/28/420069128.db2.gz XFOWCKBSMZHQGJ-BGZDPUMWSA-N 0 1 253.258 -0.754 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000364163861 420031993 /nfs/dbraw/zinc/03/19/93/420031993.db2.gz ARPMVAQJAALVLC-DKCNOQQISA-N 0 1 253.258 -0.610 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2CCN3CCOC[C@@H]3C2)c1 ZINC000368329352 420129016 /nfs/dbraw/zinc/12/90/16/420129016.db2.gz SJXBLWNFXBCRLH-LBPRGKRZSA-N 0 1 281.316 -0.192 20 5 CBBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)CN1CCO ZINC000419007286 420243292 /nfs/dbraw/zinc/24/32/92/420243292.db2.gz RICBERHOTZAWQF-IUCAKERBSA-N 0 1 296.331 -0.142 20 5 CBBDMN CC(C)NC(=O)OC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496643524 420323388 /nfs/dbraw/zinc/32/33/88/420323388.db2.gz UABZXPLSBDJNDV-RKDXNWHRSA-N 0 1 271.273 -0.003 20 5 CBBDMN CCOC(=O)c1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000549201559 420424063 /nfs/dbraw/zinc/42/40/63/420424063.db2.gz LKJCCYZHQCHSSZ-UHFFFAOYSA-N 0 1 294.227 0.470 20 5 CBBDMN CCc1nnc2n1C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000377504840 230292316 /nfs/dbraw/zinc/29/23/16/230292316.db2.gz XXGBEDGINYXJFZ-HRDYMLBCSA-N 0 1 279.300 -0.063 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000377713410 230299466 /nfs/dbraw/zinc/29/94/66/230299466.db2.gz WRHJDXUHCXULEB-INTQDDNPSA-N 0 1 279.300 -0.220 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000377830220 230301356 /nfs/dbraw/zinc/30/13/56/230301356.db2.gz BVQHQYMTGJYAQS-DDHJBXDOSA-N 0 1 283.328 -0.169 20 5 CBBDMN CCn1nc2c(cc1=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000378015849 230310198 /nfs/dbraw/zinc/31/01/98/230310198.db2.gz UKNCETJHVFPQMO-MWLCHTKSSA-N 0 1 292.295 -0.187 20 5 CBBDMN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532143570 269650663 /nfs/dbraw/zinc/65/06/63/269650663.db2.gz MTPGLQSFWCRUKE-UHFFFAOYSA-N 0 1 293.327 -0.033 20 5 CBBDMN NCC(=O)NCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573114800 334909694 /nfs/dbraw/zinc/90/96/94/334909694.db2.gz QFPVLPQMCCXHKI-UHFFFAOYSA-N 0 1 296.283 -0.835 20 5 CBBDMN C[C@H]1NCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C ZINC000581370838 336063232 /nfs/dbraw/zinc/06/32/32/336063232.db2.gz DQTYQVICKUMNBV-NXEZZACHSA-N 0 1 294.311 -0.035 20 5 CBBDMN CC(C)(NC(=O)CCn1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000354789166 527266600 /nfs/dbraw/zinc/26/66/00/527266600.db2.gz NPODOWDPGSUKJX-UHFFFAOYSA-N 0 1 294.275 -0.254 20 5 CBBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000776588661 582355541 /nfs/dbraw/zinc/35/55/41/582355541.db2.gz AJOVJWJPFDTTKD-SDDRHHMPSA-N 0 1 268.269 -0.334 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1c[nH]nn1 ZINC000789928518 582389417 /nfs/dbraw/zinc/38/94/17/582389417.db2.gz WJAVUEBKWHWTBJ-UHFFFAOYSA-N 0 1 264.201 -0.487 20 5 CBBDMN O=[N+]([O-])c1ccn(CCn2cnc(-c3nn[nH]n3)n2)n1 ZINC000823647259 582676163 /nfs/dbraw/zinc/67/61/63/582676163.db2.gz JDLLNJXPYMCPHR-UHFFFAOYSA-N 0 1 276.220 -0.737 20 5 CBBDMN CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826090357 582758554 /nfs/dbraw/zinc/75/85/54/582758554.db2.gz GJSODQIXTBVWOS-UHFFFAOYSA-N 0 1 284.257 -0.317 20 5 CBBDMN C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839531817 583156312 /nfs/dbraw/zinc/15/63/12/583156312.db2.gz OOXDHCVDKIZKEY-IVZWLZJFSA-N 0 1 257.290 -0.512 20 5 CBBDMN CN(C)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839523233 583156328 /nfs/dbraw/zinc/15/63/28/583156328.db2.gz IILKWSNFVVUKRI-RKDXNWHRSA-N 0 1 270.289 -0.523 20 5 CBBDMN CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839528349 583156387 /nfs/dbraw/zinc/15/63/87/583156387.db2.gz QLBVOSUOQITRLH-IWSPIJDZSA-N 0 1 291.329 -0.808 20 5 CBBDMN CN(CC(=O)N1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839473593 583156401 /nfs/dbraw/zinc/15/64/01/583156401.db2.gz DHSLFCUKFAZCIJ-RKDXNWHRSA-N 0 1 255.274 -0.268 20 5 CBBDMN C[C@@H]1CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839619928 583156895 /nfs/dbraw/zinc/15/68/95/583156895.db2.gz CCYFCKWEUMZCRY-OPRDCNLKSA-N 0 1 257.290 -0.512 20 5 CBBDMN NC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839682242 583157809 /nfs/dbraw/zinc/15/78/09/583157809.db2.gz BEAYDLYZVBPMKR-HTQZYQBOSA-N 0 1 255.274 -0.187 20 5 CBBDMN CN(CCN1CCCC1=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839682007 583157861 /nfs/dbraw/zinc/15/78/61/583157861.db2.gz VVLQGARKITYPMO-RKDXNWHRSA-N 0 1 255.274 -0.268 20 5 CBBDMN CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695967 583157995 /nfs/dbraw/zinc/15/79/95/583157995.db2.gz NKVBLSMOTMLHJR-RKDXNWHRSA-N 0 1 291.329 -0.855 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000839700702 583158135 /nfs/dbraw/zinc/15/81/35/583158135.db2.gz GXEZWMHLJOAXAS-ZYUZMQFOSA-N 0 1 267.285 -0.079 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000839700700 583158199 /nfs/dbraw/zinc/15/81/99/583158199.db2.gz GXEZWMHLJOAXAS-UTINFBMNSA-N 0 1 267.285 -0.079 20 5 CBBDMN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839718142 583158364 /nfs/dbraw/zinc/15/83/64/583158364.db2.gz OMUBJTGCUMENDW-DJLDLDEBSA-N 0 1 291.329 -0.808 20 5 CBBDMN CCO[C@H]1COCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726179 583158614 /nfs/dbraw/zinc/15/86/14/583158614.db2.gz NVWOYOOQTUVLPR-RGOKHQFPSA-N 0 1 258.274 -0.038 20 5 CBBDMN O=C(NCC1(N2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839739644 583159124 /nfs/dbraw/zinc/15/91/24/583159124.db2.gz KFOLGRZIXXXMBW-NXEZZACHSA-N 0 1 269.301 -0.367 20 5 CBBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000839759672 583159734 /nfs/dbraw/zinc/15/97/34/583159734.db2.gz PQHHJCZTDWXSLL-HLTSFMKQSA-N 0 1 283.284 -0.353 20 5 CBBDMN O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839793587 583160009 /nfs/dbraw/zinc/16/00/09/583160009.db2.gz UYYZHSQFUZUIRL-ZYUZMQFOSA-N 0 1 267.285 -0.079 20 5 CBBDMN CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840445685 583165090 /nfs/dbraw/zinc/16/50/90/583165090.db2.gz LNBZGFCDHTWSEY-KYXWUPHJSA-N 0 1 274.317 -0.074 20 5 CBBDMN C[C@H]1CN(CCO)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840474327 583165385 /nfs/dbraw/zinc/16/53/85/583165385.db2.gz GORODADRSWISEB-IVZWLZJFSA-N 0 1 257.290 -0.823 20 5 CBBDMN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670422 583166327 /nfs/dbraw/zinc/16/63/27/583166327.db2.gz FHOWBLNJHBKMDG-HTQZYQBOSA-N 0 1 270.201 0.000 20 5 CBBDMN CN(C)S(=O)(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670882 583166359 /nfs/dbraw/zinc/16/63/59/583166359.db2.gz MTMNNQFGLORSSU-HTQZYQBOSA-N 0 1 280.302 -0.524 20 5 CBBDMN CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672952 583166562 /nfs/dbraw/zinc/16/65/62/583166562.db2.gz SUKCAKUWUZGZPE-FSDSQADBSA-N 0 1 273.245 -0.571 20 5 CBBDMN C[C@H](CN(C)S(C)(=O)=O)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349616 583183657 /nfs/dbraw/zinc/18/36/57/583183657.db2.gz MYYYMMFUMVZGFT-BWZBUEFSSA-N 0 1 280.302 -0.525 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000846484232 583363562 /nfs/dbraw/zinc/36/35/62/583363562.db2.gz VFTVZHKTMUBYED-KDXUFGMBSA-N 0 1 272.257 -0.560 20 5 CBBDMN CCOC(=O)c1cn(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000846643796 583378912 /nfs/dbraw/zinc/37/89/12/583378912.db2.gz KFRDJCNZQXCVTI-PSASIEDQSA-N 0 1 296.283 -0.159 20 5 CBBDMN O=C(O[C@@H]1COC[C@H]1n1ccnn1)[C@@H]1CC1[N+](=O)[O-] ZINC000847991036 583419932 /nfs/dbraw/zinc/41/99/32/583419932.db2.gz WBTUOYZCRYERKL-FNCVBFRFSA-N 0 1 268.229 -0.574 20 5 CBBDMN O=C(NCCCc1cc(=O)[nH][nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000854487610 583605349 /nfs/dbraw/zinc/60/53/49/583605349.db2.gz MUMQMLNUWHHQKW-HTQZYQBOSA-N 0 1 254.246 -0.576 20 5 CBBDMN CO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000855206373 583635208 /nfs/dbraw/zinc/63/52/08/583635208.db2.gz HBONQXFTNHJHBE-KYXWUPHJSA-N 0 1 258.274 -0.181 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](O)C(F)(F)C1 ZINC000855447763 583640247 /nfs/dbraw/zinc/64/02/47/583640247.db2.gz WPIUGFHUQMXPRG-FSDSQADBSA-N 0 1 250.201 -0.120 20 5 CBBDMN CN(C)C(=O)OCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000855648572 583645904 /nfs/dbraw/zinc/64/59/04/583645904.db2.gz VOJJSDUOTLTIEO-UHFFFAOYSA-N 0 1 271.233 -0.254 20 5 CBBDMN CCS(=O)(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000856127087 583656402 /nfs/dbraw/zinc/65/64/02/583656402.db2.gz OYPWLTUSBODYCY-HTQZYQBOSA-N 0 1 276.314 -0.265 20 5 CBBDMN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000859455261 583721120 /nfs/dbraw/zinc/72/11/20/583721120.db2.gz AJOVJWJPFDTTKD-WOPDTQHZSA-N 0 1 268.269 -0.334 20 5 CBBDMN C[C@H](CS(=O)(=O)N(C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861146591 583761481 /nfs/dbraw/zinc/76/14/81/583761481.db2.gz RZFAVHQTBHQMIT-BWZBUEFSSA-N 0 1 280.302 -0.525 20 5 CBBDMN COc1ncc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000863447192 583842773 /nfs/dbraw/zinc/84/27/73/583842773.db2.gz NFCOMDQHZRSART-RKDXNWHRSA-N 0 1 266.257 -0.191 20 5 CBBDMN CCN1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000882486656 584318518 /nfs/dbraw/zinc/31/85/18/584318518.db2.gz UKVMTYQEZNTCCQ-JTQLQIEISA-N 0 1 294.311 -0.033 20 5 CBBDMN O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000882931712 584333842 /nfs/dbraw/zinc/33/38/42/584333842.db2.gz PIAWUPLHQMZGFX-OPRDCNLKSA-N 0 1 267.285 -0.221 20 5 CBBDMN CN(C)CC(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891713897 584590807 /nfs/dbraw/zinc/59/08/07/584590807.db2.gz OTMWGTMRLNPGSB-UHFFFAOYSA-N 0 1 296.331 -0.462 20 5 CBBDMN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000899831931 584780985 /nfs/dbraw/zinc/78/09/85/584780985.db2.gz AIVSWLPWFJHLED-UTINFBMNSA-N 0 1 267.285 -0.127 20 5 CBBDMN CSCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954234817 617208208 /nfs/dbraw/zinc/20/82/08/617208208.db2.gz LIPKWCLOPHSAEE-RKDXNWHRSA-N 0 1 287.341 -0.316 20 5 CBBDMN CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000965245938 613420852 /nfs/dbraw/zinc/42/08/52/613420852.db2.gz ICQQJPRJJMINOQ-NXEZZACHSA-N 0 1 283.284 -0.889 20 5 CBBDMN CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979364633 613804648 /nfs/dbraw/zinc/80/46/48/613804648.db2.gz KNZHACAHHUFVDJ-ZYUZMQFOSA-N 0 1 255.274 -0.318 20 5 CBBDMN CCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953449373 614456880 /nfs/dbraw/zinc/45/68/80/614456880.db2.gz NPRUIBFPWVRLCH-RKDXNWHRSA-N 0 1 255.274 -0.269 20 5 CBBDMN CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000965376770 614501575 /nfs/dbraw/zinc/50/15/75/614501575.db2.gz SVWSCRJTJFXHMR-NXEZZACHSA-N 0 1 297.311 -0.499 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(F)F)C1 ZINC000967950630 614651281 /nfs/dbraw/zinc/65/12/81/614651281.db2.gz VJUJVUUAEQKDLG-HTQZYQBOSA-N 0 1 291.254 -0.024 20 5 CBBDMN CN(C(=O)C(F)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953460323 615770954 /nfs/dbraw/zinc/77/09/54/615770954.db2.gz QNZOKQYSPGIKDS-RNFRBKRXSA-N 0 1 277.227 -0.414 20 5 CBBDMN O=C([C@@H]1CCCN(CC[N+](=O)[O-])C1)N1CCOCC1 ZINC000929198621 659098182 /nfs/dbraw/zinc/09/81/82/659098182.db2.gz HFCOGCJGXIDAGV-LLVKDONJSA-N 0 1 271.317 -0.166 20 5 CBBDMN Nc1ccc(C(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000050708677 656021649 /nfs/dbraw/zinc/02/16/49/656021649.db2.gz SWDTVQQXCCKESL-UHFFFAOYSA-N 0 1 263.217 -0.380 20 5 CBBDMN Cc1conc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000999654718 656641928 /nfs/dbraw/zinc/64/19/28/656641928.db2.gz PWXUBUQBCNXKHH-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNC[C@@H]1C ZINC000911724010 657116206 /nfs/dbraw/zinc/11/62/06/657116206.db2.gz KGMVMGZBQUJJLS-QMMMGPOBSA-N 0 1 267.289 -0.080 20 5 CBBDMN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000911805516 657133941 /nfs/dbraw/zinc/13/39/41/657133941.db2.gz AQFWTKGSNGSMMR-XDQCBXAXSA-N 0 1 255.274 -0.225 20 5 CBBDMN CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014286 657858327 /nfs/dbraw/zinc/85/83/27/657858327.db2.gz XSKNUHOWGIMVBV-NXEZZACHSA-N 0 1 267.285 -0.268 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC000973241792 659140042 /nfs/dbraw/zinc/14/00/42/659140042.db2.gz GGSPMAMWOBQKQT-FNCVBFRFSA-N 0 1 293.283 -0.548 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnco1 ZINC000973255033 659141848 /nfs/dbraw/zinc/14/18/48/659141848.db2.gz SVJLQOHHDJHDGF-FNCVBFRFSA-N 0 1 294.267 -0.283 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC000974104048 659162403 /nfs/dbraw/zinc/16/24/03/659162403.db2.gz GGSPMAMWOBQKQT-BZNPZCIMSA-N 0 1 293.283 -0.548 20 5 CBBDMN NC(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981765078 659330392 /nfs/dbraw/zinc/33/03/92/659330392.db2.gz PCPQKIFINAHKKO-NXEZZACHSA-N 0 1 296.327 -0.939 20 5 CBBDMN O=C(NC1CN(C(=O)c2cnsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991282068 659829615 /nfs/dbraw/zinc/82/96/15/659829615.db2.gz VTNAOFSEYPDJJW-HTRCEHHLSA-N 0 1 297.296 -0.856 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccc[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991281709 659829767 /nfs/dbraw/zinc/82/97/67/659829767.db2.gz VJNPNSGATUMSCV-PSASIEDQSA-N 0 1 278.268 -0.380 20 5 CBBDMN Cc1n[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991286681 659830242 /nfs/dbraw/zinc/83/02/42/659830242.db2.gz DRJNORKOXPSJHE-PSASIEDQSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(NC1CN(C(=O)c2csnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991287467 659830400 /nfs/dbraw/zinc/83/04/00/659830400.db2.gz KPDQJEKLSAOQNR-HTRCEHHLSA-N 0 1 297.296 -0.856 20 5 CBBDMN O=C(NC1CN(C(=O)C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991293520 659830701 /nfs/dbraw/zinc/83/07/01/659830701.db2.gz BHFASSSGOSOOPS-PHDIDXHHSA-N 0 1 263.200 -0.756 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC000996214925 659924206 /nfs/dbraw/zinc/92/42/06/659924206.db2.gz QLMPBBLRJQXTRZ-PSASIEDQSA-N 0 1 296.258 -0.240 20 5 CBBDMN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304332687 790470484 /nfs/dbraw/zinc/47/04/84/790470484.db2.gz OFGQFOJJKOKJTP-LLVKDONJSA-N 0 1 269.305 -0.600 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@H](CO)C1 ZINC000687591237 790652274 /nfs/dbraw/zinc/65/22/74/790652274.db2.gz VHXYEQALXIIYKC-NSHDSACASA-N 0 1 283.332 -0.292 20 5 CBBDMN Cc1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001030292125 799290423 /nfs/dbraw/zinc/29/04/23/799290423.db2.gz VEHABWIOJBTJQX-GHMZBOCLSA-N 0 1 280.284 -0.051 20 5 CBBDMN Cc1nccnc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292894 799292155 /nfs/dbraw/zinc/29/21/55/799292155.db2.gz AMKOUPMVFXVTKE-ZYHUDNBSSA-N 0 1 291.311 -0.249 20 5 CBBDMN O=C(NC1CN(Cc2nncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293464 799292381 /nfs/dbraw/zinc/29/23/81/799292381.db2.gz KVTDQAOBRNLLDF-HTQZYQBOSA-N 0 1 283.313 -0.496 20 5 CBBDMN Cc1noc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001031661979 799530389 /nfs/dbraw/zinc/53/03/89/799530389.db2.gz PNYVGJAUHYXXNK-NXEZZACHSA-N 0 1 295.299 -0.409 20 5 CBBDMN Cn1nncc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661975 799530601 /nfs/dbraw/zinc/53/06/01/799530601.db2.gz PKURLPSZVWHVMM-GHMZBOCLSA-N 0 1 294.315 -0.972 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cn(C)nn2)C1 ZINC001042705786 801510917 /nfs/dbraw/zinc/51/09/17/801510917.db2.gz YPFLATHDOQVELX-GHMZBOCLSA-N 0 1 294.315 -0.877 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nncs2)C1 ZINC001042711590 801511476 /nfs/dbraw/zinc/51/14/76/801511476.db2.gz YBPPGHBYOOJTQL-RKDXNWHRSA-N 0 1 297.340 -0.154 20 5 CBBDMN C/C=C(/C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543781 802514850 /nfs/dbraw/zinc/51/48/50/802514850.db2.gz XQTIVIQJVJEZRU-GIGCTMKZSA-N 0 1 299.327 -0.445 20 5 CBBDMN Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(=O)n1C ZINC001128621068 813786142 /nfs/dbraw/zinc/78/61/42/813786142.db2.gz WRKPFGVJRDCJCZ-NXEZZACHSA-N 0 1 265.269 -0.025 20 5 CBBDMN O=C(N[C@H](CO)C1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001321549751 803782868 /nfs/dbraw/zinc/78/28/68/803782868.db2.gz FLOTXKNDPUMETP-MRVPVSSYSA-N 0 1 284.272 -0.165 20 5 CBBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CCCC1 ZINC001322847100 803947883 /nfs/dbraw/zinc/94/78/83/803947883.db2.gz VBDRYDQNYIQAFX-UHFFFAOYSA-N 0 1 294.311 -0.032 20 5 CBBDMN C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1=O ZINC001324145945 804113524 /nfs/dbraw/zinc/11/35/24/804113524.db2.gz PNUMVBJSNGFDEB-SECBINFHSA-N 0 1 254.202 -0.247 20 5 CBBDMN C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1=O ZINC001324145946 804113702 /nfs/dbraw/zinc/11/37/02/804113702.db2.gz PNUMVBJSNGFDEB-VIFPVBQESA-N 0 1 254.202 -0.247 20 5 CBBDMN COCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC001324251415 804127090 /nfs/dbraw/zinc/12/70/90/804127090.db2.gz NZSMDGMDRHKAPB-LURJTMIESA-N 0 1 286.244 -0.374 20 5 CBBDMN O=C(NCCN1C(=O)CCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001324598466 804174370 /nfs/dbraw/zinc/17/43/70/804174370.db2.gz BASPEEZVBPGCGC-UHFFFAOYSA-N 0 1 281.228 -0.803 20 5 CBBDMN COCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062368886 805004970 /nfs/dbraw/zinc/00/49/70/805004970.db2.gz UJACMEQINMEMBW-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN CCCc1[nH]nc(C(=O)N2CC(CO)(CO)C2)c1[N+](=O)[O-] ZINC001154594204 815227706 /nfs/dbraw/zinc/22/77/06/815227706.db2.gz IIAABSSZHGEVEH-UHFFFAOYSA-N 0 1 298.299 -0.303 20 5 CBBDMN CCc1ncc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)[nH]1 ZINC001156538428 815364935 /nfs/dbraw/zinc/36/49/35/815364935.db2.gz UZODYYDMKQAFCU-UHFFFAOYSA-N 0 1 279.260 -0.212 20 5 CBBDMN COc1nc(-n2c(C)ncc(CN)c2=N)ncc1[N+](=O)[O-] ZINC001156825398 815384349 /nfs/dbraw/zinc/38/43/49/815384349.db2.gz NOELZDRFYFDOLU-UHFFFAOYSA-N 0 1 291.271 -0.174 20 5 CBBDMN O=C(NCCCNCc1ncccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767831 815462792 /nfs/dbraw/zinc/46/27/92/815462792.db2.gz WRDKASAUXJAMQG-NXEZZACHSA-N 0 1 279.300 -0.262 20 5 CBBDMN NCc1nnnn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158074489 815500151 /nfs/dbraw/zinc/50/01/51/815500151.db2.gz CYIZVXXTDHXSDU-UHFFFAOYSA-N 0 1 266.177 -0.668 20 5 CBBDMN COC(=O)c1ccnc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001158076484 815501244 /nfs/dbraw/zinc/50/12/44/815501244.db2.gz CEVYBLNSYFWUFO-UHFFFAOYSA-N 0 1 279.216 -0.789 20 5 CBBDMN CCOc1nc(-n2nnnc2CN)ccc1[N+](=O)[O-] ZINC001158077434 815502912 /nfs/dbraw/zinc/50/29/12/815502912.db2.gz PNHYUMYVHFOHRH-UHFFFAOYSA-N 0 1 265.233 -0.177 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC(C(N)=O)CC2)c1[N+](=O)[O-] ZINC001115917632 812207025 /nfs/dbraw/zinc/20/70/25/812207025.db2.gz WSLURDPAZIGQME-UHFFFAOYSA-N 0 1 281.272 -0.036 20 5 CBBDMN CC(C)(C(=O)NCc1nnc[nH]1)n1cc([N+](=O)[O-])cn1 ZINC001117778227 812447470 /nfs/dbraw/zinc/44/74/70/812447470.db2.gz OLRDCXLOCWIRRD-UHFFFAOYSA-N 0 1 279.260 -0.039 20 5 CBBDMN Nc1cc([N+](=O)[O-])cnc1NC[C@H]1COCCN1 ZINC001159044126 815556140 /nfs/dbraw/zinc/55/61/40/815556140.db2.gz POAZMODEBTYJDY-ZETCQYMHSA-N 0 1 253.262 -0.028 20 5 CBBDMN CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126129533 813617042 /nfs/dbraw/zinc/61/70/42/813617042.db2.gz QMAUVOUUFCJUDN-XLPZGREQSA-N 0 1 264.303 -0.409 20 5 CBBDMN Cc1noc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932429 813695307 /nfs/dbraw/zinc/69/53/07/813695307.db2.gz XLGOFKHTUAYSIG-HTQZYQBOSA-N 0 1 269.261 -0.751 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC001128808071 813803367 /nfs/dbraw/zinc/80/33/67/813803367.db2.gz GXWXEHPBEUFYNF-BWZBUEFSSA-N 0 1 276.314 -0.267 20 5 CBBDMN O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC001136220364 814559532 /nfs/dbraw/zinc/55/95/32/814559532.db2.gz YLWOZBROUPFNRZ-NXEZZACHSA-N 0 1 288.267 -0.056 20 5 CBBDMN O=C(NCC1(CO)COC1)c1n[nH]cc1[N+](=O)[O-] ZINC001137699081 814590340 /nfs/dbraw/zinc/59/03/40/814590340.db2.gz UTEPGVXJAWVLKB-UHFFFAOYSA-N 0 1 256.218 -0.943 20 5 CBBDMN COC[C@@]1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001140961615 814646707 /nfs/dbraw/zinc/64/67/07/814646707.db2.gz RRGNBABGUSBLMZ-KKZNHRDASA-N 0 1 258.274 -0.491 20 5 CBBDMN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001147350952 814889783 /nfs/dbraw/zinc/88/97/83/814889783.db2.gz DQDCNLOLHVOGJJ-WPRPVWTQSA-N 0 1 296.331 -0.318 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC001161588440 815773239 /nfs/dbraw/zinc/77/32/39/815773239.db2.gz VGOYAMVDMAZCIS-SFYZADRCSA-N 0 1 284.272 -0.152 20 5 CBBDMN Cc1nnc(CN)n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001163346645 815878847 /nfs/dbraw/zinc/87/88/47/815878847.db2.gz RPSANCLDXIAXKC-UHFFFAOYSA-N 0 1 250.218 -0.424 20 5 CBBDMN CC(F)(F)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292442309 816448502 /nfs/dbraw/zinc/44/85/02/816448502.db2.gz XQZILNHGCBLCEI-PHDIDXHHSA-N 0 1 265.216 -0.461 20 5 CBBDMN O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293965377 816530148 /nfs/dbraw/zinc/53/01/48/816530148.db2.gz KTNKSSWFEJZBEH-FCGKXJCRSA-N 0 1 296.283 -0.854 20 5 CBBDMN CCOCCCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297004214 816624247 /nfs/dbraw/zinc/62/42/47/816624247.db2.gz DJVFREBTUKXPFD-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298022631 816659057 /nfs/dbraw/zinc/65/90/57/816659057.db2.gz XICFWDZZIGAPSU-RKDXNWHRSA-N 0 1 257.290 -0.022 20 5 CBBDMN O=C(N[C@H]1CCCNC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001298202611 816669516 /nfs/dbraw/zinc/66/95/16/816669516.db2.gz VTILJLMCHACABP-YFKPBYRVSA-N 0 1 253.218 -0.674 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001301121710 816744203 /nfs/dbraw/zinc/74/42/03/816744203.db2.gz IWXCDHQUTIUIEA-JMCQJSRRSA-N 0 1 298.299 -0.162 20 5 CBBDMN CSc1nc(=O)n(Cc2cn(C)nc2[N+](=O)[O-])[nH]1 ZINC001307330474 816800577 /nfs/dbraw/zinc/80/05/77/816800577.db2.gz UXEHDERZVOQWQY-UHFFFAOYSA-N 0 1 270.274 -0.017 20 5 CBBDMN CCc1noc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001317448086 816981632 /nfs/dbraw/zinc/98/16/32/816981632.db2.gz NCOYBCURSBUYFU-RKDXNWHRSA-N 0 1 297.315 -0.155 20 5 CBBDMN COC[C@H](O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319638324 817229657 /nfs/dbraw/zinc/22/96/57/817229657.db2.gz XBTVQLSODBIYKY-ZCFIWIBFSA-N 0 1 258.234 -0.555 20 5 CBBDMN COC[C@H](CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319716495 817235887 /nfs/dbraw/zinc/23/58/87/817235887.db2.gz GWXWKVZLIKTFTR-LURJTMIESA-N 0 1 258.234 -0.555 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC001321386753 817493086 /nfs/dbraw/zinc/49/30/86/817493086.db2.gz JHFWPBKJFGKKCQ-NKWVEPMBSA-N 0 1 270.245 -0.806 20 5 CBBDMN NCc1nnnn1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001168920472 820191749 /nfs/dbraw/zinc/19/17/49/820191749.db2.gz SPJUMTQOEPVURA-UHFFFAOYSA-N 0 1 260.217 -0.323 20 5 CBBDMN Cc1c(F)cnc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001168919051 820191794 /nfs/dbraw/zinc/19/17/94/820191794.db2.gz SVOMYTSYXDYVCM-UHFFFAOYSA-N 0 1 253.197 -0.128 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])ncc1-n1nnnc1CN ZINC001168923115 820192476 /nfs/dbraw/zinc/19/24/76/820192476.db2.gz FIVHGBLAUPXRQP-UHFFFAOYSA-N 0 1 279.216 -0.789 20 5 CBBDMN NCc1nnnn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001168924180 820194813 /nfs/dbraw/zinc/19/48/13/820194813.db2.gz KHGSUPPERGJDEE-UHFFFAOYSA-N 0 1 260.217 -0.095 20 5 CBBDMN O=C(CC1CCOCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282953175 828479444 /nfs/dbraw/zinc/47/94/44/828479444.db2.gz FHFNDVPPPDITST-GHMZBOCLSA-N 0 1 299.327 -0.299 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cscn1 ZINC001284521839 828608242 /nfs/dbraw/zinc/60/82/42/828608242.db2.gz MTWAOAJWHOKVKG-VXNVDRBHSA-N 0 1 298.324 -0.004 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]23C[C@H]2COC3)n1 ZINC001194949259 824097558 /nfs/dbraw/zinc/09/75/58/824097558.db2.gz GRGPDHASECFJIC-RCOVLWMOSA-N 0 1 288.285 -0.605 20 5 CBBDMN CCOCCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284889142 828628516 /nfs/dbraw/zinc/62/85/16/828628516.db2.gz DWOOZIGJEKFMMY-NXEZZACHSA-N 0 1 285.300 -0.595 20 5 CBBDMN CCOCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284948587 828635529 /nfs/dbraw/zinc/63/55/29/828635529.db2.gz AAMHBCHQTMQEIU-NXEZZACHSA-N 0 1 285.300 -0.737 20 5 CBBDMN Cc1nnc(=O)[n-]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226460992 825279391 /nfs/dbraw/zinc/27/93/91/825279391.db2.gz JCLIREPDGZYDAM-MRVPVSSYSA-O 0 1 271.297 -0.752 20 5 CBBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc([O-])c1C(N)=O ZINC001234149264 825451953 /nfs/dbraw/zinc/45/19/53/825451953.db2.gz NFYPMRKDBZTYIT-SECBINFHSA-O 0 1 297.331 -0.146 20 5 CBBDMN CS(=O)(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253818906 825934151 /nfs/dbraw/zinc/93/41/51/825934151.db2.gz UPDKAVOIBXHCTC-UHFFFAOYSA-N 0 1 262.247 -0.908 20 5 CBBDMN C[C@H](CCS(C)(=O)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253838188 825934924 /nfs/dbraw/zinc/93/49/24/825934924.db2.gz AGEIVSDSMJYRNL-ZCFIWIBFSA-N 0 1 290.301 -0.129 20 5 CBBDMN CN1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1=O ZINC001253863410 825935244 /nfs/dbraw/zinc/93/52/44/825935244.db2.gz HTQHRKQPHZXAAR-ZCFIWIBFSA-N 0 1 267.245 -0.332 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCc2cnc[nH]2)n1 ZINC001254104627 825942553 /nfs/dbraw/zinc/94/25/53/825942553.db2.gz KCOPSVDHHFLSHZ-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)C(N)=O ZINC001254540134 825966014 /nfs/dbraw/zinc/96/60/14/825966014.db2.gz OWJYAWYKRMKMQS-WPRPVWTQSA-N 0 1 267.285 -0.038 20 5 CBBDMN NC(=O)C[C@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254589407 825967298 /nfs/dbraw/zinc/96/72/98/825967298.db2.gz OEGMOGSOCYKNKV-KOLCDFICSA-N 0 1 292.295 -0.619 20 5 CBBDMN CCn1cnnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001261253129 826501625 /nfs/dbraw/zinc/50/16/25/826501625.db2.gz QFVCAJXSOIHFBN-UHFFFAOYSA-N 0 1 265.233 -0.141 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001261818837 826586754 /nfs/dbraw/zinc/58/67/54/826586754.db2.gz JDFYHPIHNGKGGK-BDAKNGLRSA-N 0 1 295.299 -0.401 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nn1 ZINC001264985273 826827347 /nfs/dbraw/zinc/82/73/47/826827347.db2.gz SDFKDIWNOZOQEH-GHMZBOCLSA-N 0 1 296.331 -0.582 20 5 CBBDMN O=C(NC1CN(CCOCC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001267644978 827190287 /nfs/dbraw/zinc/19/02/87/827190287.db2.gz HHKMDHRPTPIZRC-RKDXNWHRSA-N 0 1 293.270 -0.266 20 5 CBBDMN CC(C)(C)NC(=O)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001268299001 827282478 /nfs/dbraw/zinc/28/24/78/827282478.db2.gz DDXCGDSKYSSIOX-NXEZZACHSA-N 0 1 298.343 -0.633 20 5 CBBDMN CCN(CCNCc1cnon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273374151 827896639 /nfs/dbraw/zinc/89/66/39/827896639.db2.gz GHRQIWHOODCHIJ-NXEZZACHSA-N 0 1 283.288 -0.327 20 5 CBBDMN CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](CO)C1 ZINC001333040293 887508249 /nfs/dbraw/zinc/50/82/49/887508249.db2.gz XCAHIHXAFXXVQH-JTQLQIEISA-N 0 1 269.305 -0.600 20 5 CBBDMN CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC001444492518 912456937 /nfs/dbraw/zinc/45/69/37/912456937.db2.gz HUTILAOSTANGDW-IVZWLZJFSA-N 0 1 271.273 -0.985 20 5 CBBDMN CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC001444492521 912458541 /nfs/dbraw/zinc/45/85/41/912458541.db2.gz HUTILAOSTANGDW-OPRDCNLKSA-N 0 1 271.273 -0.985 20 5 CBBDMN Cc1nn(CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC001345780214 890164958 /nfs/dbraw/zinc/16/49/58/890164958.db2.gz BNAAMRNNJIXUDW-UHFFFAOYSA-N 0 1 253.262 -0.468 20 5 CBBDMN COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001328793470 885814404 /nfs/dbraw/zinc/81/44/04/885814404.db2.gz MKOBIJYUMYRMHK-YLWLKBPMSA-N 0 1 284.228 -0.622 20 5 CBBDMN CN1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329595595 886138529 /nfs/dbraw/zinc/13/85/29/886138529.db2.gz HFEQSBWSYOANKC-JTQLQIEISA-N 0 1 294.311 -0.033 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)n1 ZINC001329845274 886235368 /nfs/dbraw/zinc/23/53/68/886235368.db2.gz QGBXTIIQCXWVQK-KNVOCYPGSA-N 0 1 290.301 -0.623 20 5 CBBDMN O=C(NC[C@H](O)[C@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001331806381 886991607 /nfs/dbraw/zinc/99/16/07/886991607.db2.gz GTTPCIFKHYKPSQ-JGVFFNPUSA-N 0 1 270.245 -0.412 20 5 CBBDMN O=C(NC[C@@H](O)[C@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001331806380 886992319 /nfs/dbraw/zinc/99/23/19/886992319.db2.gz GTTPCIFKHYKPSQ-HTQZYQBOSA-N 0 1 270.245 -0.412 20 5 CBBDMN O=C(NCCC1CS(=O)(=O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001447776795 913124400 /nfs/dbraw/zinc/12/44/00/913124400.db2.gz FFLSHIGCWBHOOI-UHFFFAOYSA-N 0 1 288.285 -0.518 20 5 CBBDMN O=C(NCc1cnc2n1CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC001335362884 888514316 /nfs/dbraw/zinc/51/43/16/888514316.db2.gz IGAKAKXOBFXIJX-RKDXNWHRSA-N 0 1 266.257 -0.305 20 5 CBBDMN O=C1CC2(CCOCC2)N(CC[N+](=O)[O-])CCN1 ZINC001336186381 888713671 /nfs/dbraw/zinc/71/36/71/888713671.db2.gz LMFHHCAAYVCIBT-UHFFFAOYSA-N 0 1 257.290 -0.366 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001344041762 889994587 /nfs/dbraw/zinc/99/45/87/889994587.db2.gz VPKYACCHGUPUPN-UHFFFAOYSA-N 0 1 294.275 -0.249 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC001348325700 890598365 /nfs/dbraw/zinc/59/83/65/890598365.db2.gz IJEDGCXURIQNPV-NXEZZACHSA-N 0 1 278.268 -0.407 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001350660962 891022562 /nfs/dbraw/zinc/02/25/62/891022562.db2.gz IQRRJJVWXRJBQU-XLPZGREQSA-N 0 1 262.287 -0.703 20 5 CBBDMN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356541433 891777217 /nfs/dbraw/zinc/77/72/17/891777217.db2.gz RPUAVEAEXIJIQX-UYXSQOIJSA-N 0 1 255.274 -0.318 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCc1nc[nH]n1 ZINC001450097616 913643134 /nfs/dbraw/zinc/64/31/34/913643134.db2.gz FGFFXXVSYLWQIY-UHFFFAOYSA-N 0 1 279.260 -0.423 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001451184187 913778199 /nfs/dbraw/zinc/77/81/99/913778199.db2.gz LYSJYSDCOZFMIO-JGVFFNPUSA-N 0 1 298.299 -0.134 20 5 CBBDMN Cc1nc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001456833300 914523176 /nfs/dbraw/zinc/52/31/76/914523176.db2.gz MJOGPENTBQGICC-UHFFFAOYSA-N 0 1 292.255 -0.501 20 5 CBBDMN COCCO[C@H]1COCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001459148720 914709002 /nfs/dbraw/zinc/70/90/02/914709002.db2.gz MXRDCECSKCHCNY-DBIOUOCHSA-N 0 1 288.300 -0.412 20 5 CBBDMN CS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001436449853 910445250 /nfs/dbraw/zinc/44/52/50/910445250.db2.gz PRYMWZNDCFMDBS-DJLDLDEBSA-N 0 1 276.314 -0.455 20 5 CBBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])CS(C)(=O)=O ZINC001462700588 914889544 /nfs/dbraw/zinc/88/95/44/914889544.db2.gz YDHGSZPMZDEVKN-HTQZYQBOSA-N 0 1 278.330 -0.161 20 5 CBBDMN CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001464434029 914979587 /nfs/dbraw/zinc/97/95/87/914979587.db2.gz YHXCXBNKSGXMHK-IWSPIJDZSA-N 0 1 291.329 -0.808 20 5 CBBDMN CN1CC[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001464596809 914994438 /nfs/dbraw/zinc/99/44/38/914994438.db2.gz LSUTXDMJQNIIJK-ZETCQYMHSA-N 0 1 289.317 -0.689 20 5 CBBDMN O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001468255488 915282096 /nfs/dbraw/zinc/28/20/96/915282096.db2.gz CZHPHYNVHCQYIS-FXBDTBDDSA-N 0 1 293.283 -0.138 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC001469019501 915366117 /nfs/dbraw/zinc/36/61/17/915366117.db2.gz QNWLOUVCEYLJEL-UHFFFAOYSA-N 0 1 288.285 -0.505 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001469084945 915368361 /nfs/dbraw/zinc/36/83/61/915368361.db2.gz STZYTLDNSUTSJK-SFYZADRCSA-N 0 1 284.272 -0.558 20 5 CBBDMN COC(=O)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001472401885 915731283 /nfs/dbraw/zinc/73/12/83/915731283.db2.gz VNYISTWKGDJWBB-ZYUZMQFOSA-N 0 1 286.284 -0.407 20 5 CBBDMN COC(=O)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC001472401884 915732231 /nfs/dbraw/zinc/73/22/31/915732231.db2.gz VNYISTWKGDJWBB-SGIHWFKDSA-N 0 1 286.284 -0.407 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](CO)[C@H](O)C1 ZINC001473538950 915832195 /nfs/dbraw/zinc/83/21/95/915832195.db2.gz ZVCKJVAZXZSONQ-MWLCHTKSSA-N 0 1 283.284 -0.959 20 5 CBBDMN Cn1cc(CN2C[C@@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])n1 ZINC001473894408 915880363 /nfs/dbraw/zinc/88/03/63/915880363.db2.gz XGDFYTVPEQTUAO-KOLCDFICSA-N 0 1 284.316 -0.249 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC/C=C\CO ZINC001475481807 915942799 /nfs/dbraw/zinc/94/27/99/915942799.db2.gz LUPBSNAZXRQFFY-UPHRSURJSA-N 0 1 273.270 -0.183 20 5 CBBDMN CCn1ncc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001481229745 916775516 /nfs/dbraw/zinc/77/55/16/916775516.db2.gz VVSQLQDVTRDVHM-GHMZBOCLSA-N 0 1 296.331 -0.489 20 5 CBBDMN CCc1nocc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491281496 919105186 /nfs/dbraw/zinc/10/51/86/919105186.db2.gz BNHDYFMENJGFRQ-GMSGAONNSA-N 0 1 296.283 -0.252 20 5 CBBDMN CCc1noc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001493546415 919576643 /nfs/dbraw/zinc/57/66/43/919576643.db2.gz WDLAVPBLQOJOSX-RKDXNWHRSA-N 0 1 297.315 -0.155 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1=COCCC1 ZINC001496012006 920006276 /nfs/dbraw/zinc/00/62/76/920006276.db2.gz FGUGNPWNCYPOBK-GHMZBOCLSA-N 0 1 297.311 -0.080 20 5 CBBDMN CS(=O)(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001520287678 922304795 /nfs/dbraw/zinc/30/47/95/922304795.db2.gz JSVUOBZILYBOJR-RNFRBKRXSA-N 0 1 262.287 -0.655 20 5 CBBDMN Cn1ncc(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001527310071 922748269 /nfs/dbraw/zinc/74/82/69/922748269.db2.gz ILTPKZQBUOEKSA-RKDXNWHRSA-N 0 1 253.262 -0.471 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc[nH]1 ZINC001528110142 922807072 /nfs/dbraw/zinc/80/70/72/922807072.db2.gz GKGXNRXFHBDLIB-PSASIEDQSA-N 0 1 280.284 -0.132 20 5 CBBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001528845074 922857800 /nfs/dbraw/zinc/85/78/00/922857800.db2.gz KTFJPCJENCEMBE-NXEZZACHSA-N 0 1 295.299 -0.347 20 5 CBBDMN COCCn1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001530045602 922903734 /nfs/dbraw/zinc/90/37/34/922903734.db2.gz SOBYIVMOXWHEGM-NXEZZACHSA-N 0 1 268.273 -0.189 20 5 CBBDMN CN1CC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001538351255 923243815 /nfs/dbraw/zinc/24/38/15/923243815.db2.gz FUMOPIAXHXXKHM-ZETCQYMHSA-N 0 1 254.250 -0.993 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@]2(CNC(=O)C2)C1 ZINC001538681779 923249488 /nfs/dbraw/zinc/24/94/88/923249488.db2.gz ARPMVAQJAALVLC-XLDPMVHQSA-N 0 1 253.258 -0.610 20 5 CBBDMN COC(=O)[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001542651117 923273765 /nfs/dbraw/zinc/27/37/65/923273765.db2.gz OAOLWYYGUUTJKN-YFKPBYRVSA-N 0 1 256.218 -0.143 20 5 CBBDMN Cc1[nH]ncc1CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001543570074 923292801 /nfs/dbraw/zinc/29/28/01/923292801.db2.gz IFQSOJTZTBKPQH-UHFFFAOYSA-N 0 1 293.287 -0.033 20 5 CBBDMN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001544139077 923301337 /nfs/dbraw/zinc/30/13/37/923301337.db2.gz JHNYCYIFKPTNEV-WPRPVWTQSA-N 0 1 296.331 -0.318 20 5 CBBDMN O=C(N[C@H](CO)[C@@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001546304520 923340486 /nfs/dbraw/zinc/34/04/86/923340486.db2.gz JNGVQWOAEXGRNE-RNFRBKRXSA-N 0 1 270.245 -0.555 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001557576267 924123044 /nfs/dbraw/zinc/12/30/44/924123044.db2.gz AVCUOINVEHENRM-CPCISQLKSA-N 0 1 284.272 -0.416 20 5 CBBDMN O=C(NC[C@H](O)c1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC001557776434 924135427 /nfs/dbraw/zinc/13/54/27/924135427.db2.gz SJIBLFGVBVLHHU-BBBLOLIVSA-N 0 1 251.242 -0.104 20 5 CBBDMN CNC(=O)CCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354890164 529856648 /nfs/dbraw/zinc/85/66/48/529856648.db2.gz TYTSGKQTSAHMLM-UHFFFAOYSA-N 0 1 269.261 -0.166 20 5 CBBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H](O)CO)c1[N+](=O)[O-] ZINC000271313892 191068175 /nfs/dbraw/zinc/06/81/75/191068175.db2.gz WAPCXBGDJMVXJF-ZETCQYMHSA-N 0 1 286.288 -0.304 20 5 CBBDMN CC(=O)N1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000044383767 351444478 /nfs/dbraw/zinc/44/44/78/351444478.db2.gz GQADLXJNBMXHQG-UWVGGRQHSA-N 0 1 255.274 -0.268 20 5 CBBDMN CNC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045287142 351450299 /nfs/dbraw/zinc/45/02/99/351450299.db2.gz TZLRWFXZDCQYPX-UHFFFAOYSA-N 0 1 277.240 -0.053 20 5 CBBDMN NC(=O)[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618500 351668725 /nfs/dbraw/zinc/66/87/25/351668725.db2.gz JOPJPZIPFSHDCK-NXEZZACHSA-N 0 1 283.288 -0.898 20 5 CBBDMN O=C(NCc1cnc[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000088759054 351727265 /nfs/dbraw/zinc/72/72/65/351727265.db2.gz KWRSESQHKKLSEL-UHFFFAOYSA-N 0 1 263.213 -0.064 20 5 CBBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000093483461 351760942 /nfs/dbraw/zinc/76/09/42/351760942.db2.gz MBTAUCORRCWMBB-PHIMTYICSA-N 0 1 254.242 -0.162 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000172624186 352028496 /nfs/dbraw/zinc/02/84/96/352028496.db2.gz OPMYINAUHYYYLX-UHFFFAOYSA-N 0 1 281.272 -0.206 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000339892529 215384938 /nfs/dbraw/zinc/38/49/38/215384938.db2.gz PLJRNBJBRUPBDF-ZCFIWIBFSA-N 0 1 267.245 -0.284 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2C[C@H](O)C[C@H]2CO)n1 ZINC000248392960 352351738 /nfs/dbraw/zinc/35/17/38/352351738.db2.gz LJWMXKDUIBZBJP-DTWKUNHWSA-N 0 1 256.262 -0.781 20 5 CBBDMN C[C@H]1CNCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000262055715 352405019 /nfs/dbraw/zinc/40/50/19/352405019.db2.gz XFZHQKXDUMTESF-ZETCQYMHSA-N 0 1 254.250 -0.993 20 5 CBBDMN CC[C@H](CO)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000266194092 352447706 /nfs/dbraw/zinc/44/77/06/352447706.db2.gz HHTRJDCWBXAQQS-SECBINFHSA-N 0 1 296.331 -0.140 20 5 CBBDMN COCCNC(=O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269278924 352466464 /nfs/dbraw/zinc/46/64/64/352466464.db2.gz KKOPMWCWGPZNJH-UHFFFAOYSA-N 0 1 297.267 -0.207 20 5 CBBDMN CC(CO)(CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274934206 352549340 /nfs/dbraw/zinc/54/93/40/352549340.db2.gz ODKBFMJVVDRTFL-UHFFFAOYSA-N 0 1 270.241 -0.227 20 5 CBBDMN O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000293554258 352694155 /nfs/dbraw/zinc/69/41/55/352694155.db2.gz HHVVCOCKTVCSDC-SECBINFHSA-N 0 1 297.315 -0.106 20 5 CBBDMN O=C(N[C@@H](CO)CN1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000293554258 352694158 /nfs/dbraw/zinc/69/41/58/352694158.db2.gz HHVVCOCKTVCSDC-SECBINFHSA-N 0 1 297.315 -0.106 20 5 CBBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H](O)[C@H](O)C1 ZINC000330454111 352827258 /nfs/dbraw/zinc/82/72/58/352827258.db2.gz MBTAUCORRCWMBB-GHMZBOCLSA-N 0 1 254.242 -0.162 20 5 CBBDMN NC(=O)N[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330517128 352837703 /nfs/dbraw/zinc/83/77/03/352837703.db2.gz IWJXTHBJGIPYGO-QMMMGPOBSA-N 0 1 268.277 -0.052 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]3C(=O)NC[C@H]32)c1[N+](=O)[O-] ZINC000337155577 353077237 /nfs/dbraw/zinc/07/72/37/353077237.db2.gz UVJSDUTUASXKFH-JGVFFNPUSA-N 0 1 293.283 -0.023 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1 ZINC000155010694 188176411 /nfs/dbraw/zinc/17/64/11/188176411.db2.gz YIIYDRNPVXPTFP-MRVPVSSYSA-N 0 1 253.262 -0.388 20 5 CBBDMN CCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000343464084 353274265 /nfs/dbraw/zinc/27/42/65/353274265.db2.gz WIVZLDGFUDZTIG-RXMQYKEDSA-N 0 1 255.234 -0.298 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)CCC(N)=O)c1[N+](=O)[O-] ZINC000343523909 353276665 /nfs/dbraw/zinc/27/66/65/353276665.db2.gz IUPZXXHNGLEDJC-UHFFFAOYSA-N 0 1 269.261 -0.172 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCO1 ZINC000343877173 353296218 /nfs/dbraw/zinc/29/62/18/353296218.db2.gz NKSVVJBRGHTJKM-ZETCQYMHSA-N 0 1 298.255 -0.360 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000354068900 353541415 /nfs/dbraw/zinc/54/14/15/353541415.db2.gz UUBYGFBJRGGXIF-UHFFFAOYSA-N 0 1 253.218 -0.802 20 5 CBBDMN C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000358427195 353643550 /nfs/dbraw/zinc/64/35/50/353643550.db2.gz VJFFTIBGWHCPTQ-GFCCVEGCSA-N 0 1 296.283 -0.508 20 5 CBBDMN C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000358427195 353643551 /nfs/dbraw/zinc/64/35/51/353643551.db2.gz VJFFTIBGWHCPTQ-GFCCVEGCSA-N 0 1 296.283 -0.508 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(F)(F)C[C@H]1CO ZINC000372548005 353718816 /nfs/dbraw/zinc/71/88/16/353718816.db2.gz PLLLDXWCZBJLAA-XVMARJQXSA-N 0 1 250.201 -0.120 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000372561905 353719467 /nfs/dbraw/zinc/71/94/67/353719467.db2.gz ABHRPXFOCNNACR-HLTSFMKQSA-N 0 1 255.274 -0.221 20 5 CBBDMN CCc1noc([C@H]2C[C@H](O)CN2C(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000373427927 353731632 /nfs/dbraw/zinc/73/16/32/353731632.db2.gz RYHUACGFVLVLLK-XSPKLOCKSA-N 0 1 296.283 -0.069 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)no1 ZINC000375777206 353767458 /nfs/dbraw/zinc/76/74/58/353767458.db2.gz HQFCXRIVXMNKRG-HLTSFMKQSA-N 0 1 282.256 -0.057 20 5 CBBDMN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000376410348 353774924 /nfs/dbraw/zinc/77/49/24/353774924.db2.gz GWISJGMSRKCERT-KDXUFGMBSA-N 0 1 272.257 -0.824 20 5 CBBDMN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC1=O ZINC000374143500 353741247 /nfs/dbraw/zinc/74/12/47/353741247.db2.gz TWKGMPALEBYQTO-FHNUBNKASA-N 0 1 267.285 -0.223 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1CN1CCOCC1 ZINC000374156068 353742124 /nfs/dbraw/zinc/74/21/24/353742124.db2.gz DXWLFOXXAMDUBC-IJLUTSLNSA-N 0 1 283.328 -0.025 20 5 CBBDMN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CC1[N+](=O)[O-] ZINC000374235080 353743375 /nfs/dbraw/zinc/74/33/75/353743375.db2.gz ZYLMLIWCQVDDMP-GJMOJQLCSA-N 0 1 251.246 -0.626 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000408223121 353875228 /nfs/dbraw/zinc/87/52/28/353875228.db2.gz CWYWLBOHHKKXLM-DTWKUNHWSA-N 0 1 267.289 -0.153 20 5 CBBDMN CN1C(=O)CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000425093482 354237178 /nfs/dbraw/zinc/23/71/78/354237178.db2.gz SHPQVUDOPFFKIH-YFKPBYRVSA-N 0 1 281.228 -0.805 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@@H](C)CC[NH3+])c([N+](=O)[O-])n1 ZINC000447255340 354295403 /nfs/dbraw/zinc/29/54/03/354295403.db2.gz JIFFSMXITUFWJN-ZETCQYMHSA-N 0 1 291.333 -0.173 20 5 CBBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](c2nn[nH]n2)C1 ZINC000538225811 354613153 /nfs/dbraw/zinc/61/31/53/354613153.db2.gz XIATVRHFJUCARL-LURJTMIESA-N 0 1 292.259 -0.149 20 5 CBBDMN O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000564957622 354723061 /nfs/dbraw/zinc/72/30/61/354723061.db2.gz WEUQRGPIDULIGG-BRPSZJMVSA-N 0 1 264.241 -0.357 20 5 CBBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NCCCc1nc[nH]n1 ZINC000565147311 354729175 /nfs/dbraw/zinc/72/91/75/354729175.db2.gz OPJTUOGHUJBKBL-UHFFFAOYSA-N 0 1 279.260 -0.191 20 5 CBBDMN O=C(C[C@H]1COCCN1)NCCn1cc([N+](=O)[O-])cn1 ZINC000573083440 354904076 /nfs/dbraw/zinc/90/40/76/354904076.db2.gz NDSWMZMCWJJHOA-VIFPVBQESA-N 0 1 283.288 -0.714 20 5 CBBDMN CCOC(=O)C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000590384647 355077181 /nfs/dbraw/zinc/07/71/81/355077181.db2.gz PHIDTROSKMDABZ-LURJTMIESA-N 0 1 286.244 -0.638 20 5 CBBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592556852 355163521 /nfs/dbraw/zinc/16/35/21/355163521.db2.gz VKFNOQHVBQSYLD-MRVPVSSYSA-N 0 1 297.271 -0.705 20 5 CBBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592556855 355163663 /nfs/dbraw/zinc/16/36/63/355163663.db2.gz VKFNOQHVBQSYLD-QMMMGPOBSA-N 0 1 297.271 -0.705 20 5 CBBDMN C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000592306044 355147202 /nfs/dbraw/zinc/14/72/02/355147202.db2.gz AETYQTSJRNNJKM-OIBJUYFYSA-N 0 1 296.283 -0.116 20 5 CBBDMN O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592317434 355147509 /nfs/dbraw/zinc/14/75/09/355147509.db2.gz FIDFRSCWRAZFHK-UHFFFAOYSA-N 0 1 252.230 -0.355 20 5 CBBDMN CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593521618 355207878 /nfs/dbraw/zinc/20/78/78/355207878.db2.gz CEABFXSKKGWPPZ-UHFFFAOYSA-N 0 1 274.302 -0.170 20 5 CBBDMN CCOC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754070 355260066 /nfs/dbraw/zinc/26/00/66/355260066.db2.gz NYOSHWITCCSLHN-UHFFFAOYSA-N 0 1 289.269 -0.169 20 5 CBBDMN COC[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772320 355261351 /nfs/dbraw/zinc/26/13/51/355261351.db2.gz HYWITGHLKYULBQ-SSDOTTSWSA-N 0 1 291.285 -0.725 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000594771860 355261385 /nfs/dbraw/zinc/26/13/85/355261385.db2.gz GOARKGHSTKLTDY-QMSLJYSESA-N 0 1 285.281 -0.087 20 5 CBBDMN O=C1NCC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594789842 355262476 /nfs/dbraw/zinc/26/24/76/355262476.db2.gz GSIIXPLINKGBMU-LURJTMIESA-N 0 1 286.269 -0.843 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H](CO)CCF ZINC000594793980 355262851 /nfs/dbraw/zinc/26/28/51/355262851.db2.gz GSYOKQKFWBZZES-SSDOTTSWSA-N 0 1 293.276 -0.011 20 5 CBBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(O)CNC1 ZINC000595932766 355321041 /nfs/dbraw/zinc/32/10/41/355321041.db2.gz QERAGDUHECXWHC-UHFFFAOYSA-N 0 1 265.269 -0.412 20 5 CBBDMN O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(O)CNC1 ZINC000595953478 355327456 /nfs/dbraw/zinc/32/74/56/355327456.db2.gz JMINQCUNMNXKTF-UHFFFAOYSA-N 0 1 295.299 -0.711 20 5 CBBDMN Nc1ccc(N2CC(N3CC[C@@H](O)C3)C2)nc1[N+](=O)[O-] ZINC000596296690 355353308 /nfs/dbraw/zinc/35/33/08/355353308.db2.gz YREQIWXLYUZHLQ-SECBINFHSA-N 0 1 279.300 -0.173 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)n1 ZINC000599096884 355463432 /nfs/dbraw/zinc/46/34/32/355463432.db2.gz AEARSUNJUJSBCJ-SSDOTTSWSA-N 0 1 289.317 -0.641 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)n1 ZINC000599096887 355463706 /nfs/dbraw/zinc/46/37/06/355463706.db2.gz AEARSUNJUJSBCJ-ZETCQYMHSA-N 0 1 289.317 -0.641 20 5 CBBDMN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105433 355464345 /nfs/dbraw/zinc/46/43/45/355464345.db2.gz CIKNWYGEQGSNTG-WDSKDSINSA-N 0 1 277.306 -0.658 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCO2)n1 ZINC000599203734 355472052 /nfs/dbraw/zinc/47/20/52/355472052.db2.gz OZTZIFTUPCVASM-ZETCQYMHSA-N 0 1 290.301 -0.214 20 5 CBBDMN CCOC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599233096 355473334 /nfs/dbraw/zinc/47/33/34/355473334.db2.gz ROVUWQGOPTVXJI-UHFFFAOYSA-N 0 1 292.273 -0.830 20 5 CBBDMN CC(C)[C@@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599243947 355473804 /nfs/dbraw/zinc/47/38/04/355473804.db2.gz WSAVWNSOEMJVCS-QMMMGPOBSA-N 0 1 292.317 -0.377 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCOC2)n1 ZINC000599267522 355475004 /nfs/dbraw/zinc/47/50/04/355475004.db2.gz YHOVMTWTTPIHRA-LURJTMIESA-N 0 1 276.274 -0.605 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCCO)n1 ZINC000599293766 355477764 /nfs/dbraw/zinc/47/77/64/355477764.db2.gz ZPIWBOXRICCMCT-UHFFFAOYSA-N 0 1 292.317 -0.231 20 5 CBBDMN CC[C@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599311776 355478694 /nfs/dbraw/zinc/47/86/94/355478694.db2.gz LYIKXTNGOJXQDQ-LURJTMIESA-N 0 1 278.290 -0.623 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](O)C1 ZINC000600699055 355561451 /nfs/dbraw/zinc/56/14/51/355561451.db2.gz IAALENBUQMWFGC-JTQLQIEISA-N 0 1 282.300 -0.270 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000600576452 355557876 /nfs/dbraw/zinc/55/78/76/355557876.db2.gz DHJCBHUXGRZUCA-KNVOCYPGSA-N 0 1 281.272 -0.038 20 5 CBBDMN O=C(NCCN1CC[C@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000599767358 355514292 /nfs/dbraw/zinc/51/42/92/355514292.db2.gz WPIDQFXWWYPBGF-VIFPVBQESA-N 0 1 295.299 -0.400 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC[C@H](O)C1 ZINC000600809061 355566671 /nfs/dbraw/zinc/56/66/71/355566671.db2.gz RFGRBSQGWFZEQY-JTQLQIEISA-N 0 1 297.315 -0.717 20 5 CBBDMN C[C@@H](O)CN1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602463464 355651826 /nfs/dbraw/zinc/65/18/26/355651826.db2.gz VETWAWQVKLGHEB-SNVBAGLBSA-N 0 1 283.332 -0.173 20 5 CBBDMN C[C@@H]1CN(CCO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836477 355674350 /nfs/dbraw/zinc/67/43/50/355674350.db2.gz FNYYOBGENQHBFX-SNVBAGLBSA-N 0 1 283.332 -0.173 20 5 CBBDMN NS(=O)(=O)c1ccc(NCc2c[nH]nn2)c([N+](=O)[O-])c1 ZINC000610663308 355784217 /nfs/dbraw/zinc/78/42/17/355784217.db2.gz RGTNTHSCVSOEJZ-UHFFFAOYSA-N 0 1 298.284 -0.028 20 5 CBBDMN Nc1cc(N2CCN(CCO)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525164 355803893 /nfs/dbraw/zinc/80/38/93/355803893.db2.gz MJTOJOVNQHMCBG-UHFFFAOYSA-N 0 1 296.327 -0.216 20 5 CBBDMN NS(=O)(=O)c1cccc(NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000612657282 355844837 /nfs/dbraw/zinc/84/48/37/355844837.db2.gz HFAZWHWNNAQUSP-UHFFFAOYSA-N 0 1 299.272 -0.633 20 5 CBBDMN COC(=O)c1cnc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000616371741 356085409 /nfs/dbraw/zinc/08/54/09/356085409.db2.gz AZCRNYBPGASCDN-UHFFFAOYSA-N 0 1 279.216 -0.098 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000619789413 356227531 /nfs/dbraw/zinc/22/75/31/356227531.db2.gz ZZCYLZZTNRKOSB-ZCFIWIBFSA-N 0 1 292.259 -0.149 20 5 CBBDMN NC(=O)[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341748475 216088764 /nfs/dbraw/zinc/08/87/64/216088764.db2.gz QYVOIZOKXWHFBO-MRVPVSSYSA-N 0 1 293.239 -0.953 20 5 CBBDMN O=C(NC[C@H]1CN2CCN1CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000179184780 189175606 /nfs/dbraw/zinc/17/56/06/189175606.db2.gz MBIGKSDUJIXHJZ-QMMMGPOBSA-N 0 1 280.288 -0.953 20 5 CBBDMN CNC(=O)N[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342354977 216322849 /nfs/dbraw/zinc/32/28/49/216322849.db2.gz NTUMPANOTADAQS-SECBINFHSA-N 0 1 282.304 -0.205 20 5 CBBDMN CN1CCN(C)[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330689812 203121268 /nfs/dbraw/zinc/12/12/68/203121268.db2.gz FHIOJCJFQVOWJK-JTQLQIEISA-N 0 1 281.316 -0.102 20 5 CBBDMN NC(=O)[C@@]1(O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000276461725 193341209 /nfs/dbraw/zinc/34/12/09/193341209.db2.gz OUVHCLJLSPGYSH-CYBMUJFWSA-N 0 1 295.295 -0.104 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000332600824 204823972 /nfs/dbraw/zinc/82/39/72/204823972.db2.gz ASNDPIOVNBEJPT-UHFFFAOYSA-N 0 1 267.245 -0.248 20 5 CBBDMN CNC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000344352517 217164234 /nfs/dbraw/zinc/16/42/34/217164234.db2.gz YXIVEQMEHWTHHX-ZETCQYMHSA-N 0 1 269.261 -0.182 20 5 CBBDMN CN1CCN(C)[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285817228 372944310 /nfs/dbraw/zinc/94/43/10/372944310.db2.gz GPWVMDZOBSJADD-QMMMGPOBSA-N 0 1 282.304 -0.707 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2[nH]nnc2C1 ZINC000353510747 220127945 /nfs/dbraw/zinc/12/79/45/220127945.db2.gz SOIQXKUZZSTXLW-UHFFFAOYSA-N 0 1 263.217 -0.366 20 5 CBBDMN COC(=O)[C@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000362425545 373411099 /nfs/dbraw/zinc/41/10/99/373411099.db2.gz ZYFUATDGJJNCBO-GFCCVEGCSA-N 0 1 298.251 -0.046 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2=O)cn1 ZINC000363601239 373502085 /nfs/dbraw/zinc/50/20/85/373502085.db2.gz UZRIUPCQTYCNIY-NXEZZACHSA-N 0 1 293.283 -0.740 20 5 CBBDMN C[C@]1(C(N)=O)CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363819214 373512625 /nfs/dbraw/zinc/51/26/25/373512625.db2.gz HIOALMDWICUKKP-SOCHQFKDSA-N 0 1 255.274 -0.092 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000367972764 373539326 /nfs/dbraw/zinc/53/93/26/373539326.db2.gz DXWLFOXXAMDUBC-SDDRHHMPSA-N 0 1 283.328 -0.025 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC[C@]2(CNC(=O)O2)C1 ZINC000375542010 373566797 /nfs/dbraw/zinc/56/67/97/373566797.db2.gz RWZJREHODKCRLU-RNSXUZJQSA-N 0 1 269.257 -0.247 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376431700 373570877 /nfs/dbraw/zinc/57/08/77/373570877.db2.gz AMFFWSWTHYJTGM-RBXMUDONSA-N 0 1 274.298 -0.703 20 5 CBBDMN Cn1c(C(=O)NCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000345376129 217527102 /nfs/dbraw/zinc/52/71/02/217527102.db2.gz FGYKXBWLAUUHGL-UHFFFAOYSA-N 0 1 295.343 -0.090 20 5 CBBDMN CCCc1[nH]nc(C(=O)N(C)CC(N)=O)c1[N+](=O)[O-] ZINC000264664966 190126984 /nfs/dbraw/zinc/12/69/84/190126984.db2.gz JMIBYTZTMQNXMV-UHFFFAOYSA-N 0 1 269.261 -0.172 20 5 CBBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000356355948 248240047 /nfs/dbraw/zinc/24/00/47/248240047.db2.gz HQRSTABEXRNORQ-RXMQYKEDSA-N 0 1 253.214 -0.096 20 5 CBBDMN O=C(N[C@@H]1CNC(=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357464263 248367238 /nfs/dbraw/zinc/36/72/38/248367238.db2.gz HNHYPLAYKCLZAL-ZETCQYMHSA-N 0 1 265.225 -0.081 20 5 CBBDMN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1nn[nH]n1 ZINC000357553514 248374694 /nfs/dbraw/zinc/37/46/94/248374694.db2.gz WDYPYFADBZBWNU-UHFFFAOYSA-N 0 1 256.609 -0.029 20 5 CBBDMN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000371671421 248809923 /nfs/dbraw/zinc/80/99/23/248809923.db2.gz MHYQRXYWICSNTJ-HRDYMLBCSA-N 0 1 279.300 -0.063 20 5 CBBDMN CC(C)(NC(=O)c1cc([N+](=O)[O-])cnc1N)c1nn[nH]n1 ZINC000353716015 220275082 /nfs/dbraw/zinc/27/50/82/220275082.db2.gz XVDHBCGXKFPUQV-UHFFFAOYSA-N 0 1 292.259 -0.250 20 5 CBBDMN CN(CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CCNCC1 ZINC000430630866 208168091 /nfs/dbraw/zinc/16/80/91/208168091.db2.gz STAISGNTACHYOC-UHFFFAOYSA-N 0 1 296.331 -0.845 20 5 CBBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000442924478 208370665 /nfs/dbraw/zinc/37/06/65/208370665.db2.gz KJEQSQDKHKRLHI-ZETCQYMHSA-N 0 1 281.272 -0.023 20 5 CBBDMN O=C(Nc1nc(SCCO)n[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000288575808 197117380 /nfs/dbraw/zinc/11/73/80/197117380.db2.gz XVQJBJQJFLLJDM-UHFFFAOYSA-N 0 1 299.272 -0.227 20 5 CBBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1nnc[nH]1 ZINC000285488090 196300871 /nfs/dbraw/zinc/30/08/71/196300871.db2.gz ADXVDNGKEPQTEQ-SCSAIBSYSA-N 0 1 251.206 -0.073 20 5 CBBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285597648 196339798 /nfs/dbraw/zinc/33/97/98/196339798.db2.gz YBWDQCXMRGWQFH-VIFPVBQESA-N 0 1 296.331 -0.316 20 5 CBBDMN NCC(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668477 173610487 /nfs/dbraw/zinc/61/04/87/173610487.db2.gz ZPMAHUOYCSUHNR-UHFFFAOYSA-N 0 1 266.257 -0.714 20 5 CBBDMN O=c1[nH]nc2n1CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000354975179 227276379 /nfs/dbraw/zinc/27/63/79/227276379.db2.gz FCAQESGWAUIFCR-UHFFFAOYSA-N 0 1 279.260 -0.396 20 5 CBBDMN CCOC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000359957033 419997080 /nfs/dbraw/zinc/99/70/80/419997080.db2.gz NAHCOWCCAPSJOZ-GHMZBOCLSA-N 0 1 299.327 -0.251 20 5 CBBDMN Cc1noc([C@@H]2COCCN2C(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000364301126 420033684 /nfs/dbraw/zinc/03/36/84/420033684.db2.gz CPYRMIQESVANAL-CIUDSAMLSA-N 0 1 282.256 -0.057 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000369340188 420158539 /nfs/dbraw/zinc/15/85/39/420158539.db2.gz ULZXRXISHVVGGI-BJDJZHNGSA-N 0 1 294.311 -0.380 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)OCC[C@H]2C1 ZINC000496851390 420331319 /nfs/dbraw/zinc/33/13/19/420331319.db2.gz HJEGPTSHKYKXOA-DJLDLDEBSA-N 0 1 269.257 -0.295 20 5 CBBDMN O=C(Nc1n[nH]c2ncnn12)c1ccc([N+](=O)[O-])cn1 ZINC000590379837 420477781 /nfs/dbraw/zinc/47/77/81/420477781.db2.gz RDSCCZSJCIVEHA-UHFFFAOYSA-N 0 1 274.200 0.008 20 5 CBBDMN O=C(Nc1nnc2nc[nH]n21)c1ccc([N+](=O)[O-])o1 ZINC000590551954 420479148 /nfs/dbraw/zinc/47/91/48/420479148.db2.gz ABSGLIGWLBFLHY-UHFFFAOYSA-N 0 1 263.173 0.206 20 5 CBBDMN O=[N+]([O-])c1cnc(NCCN2CC[C@H](O)C2)nc1 ZINC000599199652 420491871 /nfs/dbraw/zinc/49/18/71/420491871.db2.gz OLQCTVFZPCFVIR-VIFPVBQESA-N 0 1 253.262 -0.137 20 5 CBBDMN CN1CCO[C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C[C@@H]21 ZINC000377962111 290095295 /nfs/dbraw/zinc/09/52/95/290095295.db2.gz CNXOEUFAWXDNMJ-QCLAVDOMSA-N 0 1 255.274 -0.807 20 5 CBBDMN [NH3+]CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572036343 329939325 /nfs/dbraw/zinc/93/93/25/329939325.db2.gz MPKCVWXMXOSVER-UHFFFAOYSA-N 0 1 260.275 -0.383 20 5 CBBDMN [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCO1 ZINC000578866752 335682230 /nfs/dbraw/zinc/68/22/30/335682230.db2.gz VOAYTIKPDFRSNK-SECBINFHSA-N 0 1 296.283 -0.115 20 5 CBBDMN CS(=O)(=O)NCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000732502144 582159660 /nfs/dbraw/zinc/15/96/60/582159660.db2.gz MPOMFCNXYXNLJX-UHFFFAOYSA-N 0 1 277.258 -0.371 20 5 CBBDMN Cc1cc(C(=O)NCc2nn[nH]n2)c(N)c([N+](=O)[O-])c1 ZINC000749388190 582289678 /nfs/dbraw/zinc/28/96/78/582289678.db2.gz QXLLQFFLFKBLQG-UHFFFAOYSA-N 0 1 277.244 -0.071 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)OCCc2c[nH]nn2)n1 ZINC000780390271 582363938 /nfs/dbraw/zinc/36/39/38/582363938.db2.gz BKRJUCBQDOJZLE-UHFFFAOYSA-N 0 1 266.217 -0.154 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)OCCc2cnn[nH]2)n1 ZINC000780390271 582363939 /nfs/dbraw/zinc/36/39/39/582363939.db2.gz BKRJUCBQDOJZLE-UHFFFAOYSA-N 0 1 266.217 -0.154 20 5 CBBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](CO)O1 ZINC000817628359 582491584 /nfs/dbraw/zinc/49/15/84/582491584.db2.gz RYKDPDQMKJGGQG-IWSPIJDZSA-N 0 1 258.274 -0.350 20 5 CBBDMN Cc1nc(C)n(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000820058768 582549841 /nfs/dbraw/zinc/54/98/41/582549841.db2.gz MZTOKHANYJOURG-NXEZZACHSA-N 0 1 265.273 -0.057 20 5 CBBDMN C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)[O-] ZINC000830713513 582938561 /nfs/dbraw/zinc/93/85/61/582938561.db2.gz HCKAMYKEJSCDIS-SECBINFHSA-N 0 1 286.288 -0.053 20 5 CBBDMN O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC1[N+](=O)[O-] ZINC000831235337 582970670 /nfs/dbraw/zinc/97/06/70/582970670.db2.gz VLDDIFWOADDQJG-IGORNWKESA-N 0 1 256.258 -0.428 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000832043246 583011031 /nfs/dbraw/zinc/01/10/31/583011031.db2.gz DDFADSAQOAXTHQ-UTINFBMNSA-N 0 1 288.325 -0.455 20 5 CBBDMN O=C([O-])[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000833188899 583058642 /nfs/dbraw/zinc/05/86/42/583058642.db2.gz JTBLLPQIBMAMPA-ONGXEEELSA-N 0 1 298.299 -0.051 20 5 CBBDMN C[C@H]1CCS(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000834447933 583123419 /nfs/dbraw/zinc/12/34/19/583123419.db2.gz LDZWIWWRNABQNF-DJLDLDEBSA-N 0 1 276.314 -0.313 20 5 CBBDMN CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839529799 583156254 /nfs/dbraw/zinc/15/62/54/583156254.db2.gz HVLZXOWBBHEDPJ-HRDYMLBCSA-N 0 1 255.274 -0.221 20 5 CBBDMN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839697577 583157981 /nfs/dbraw/zinc/15/79/81/583157981.db2.gz TWKGMPALEBYQTO-MQIGXGKASA-N 0 1 267.285 -0.223 20 5 CBBDMN CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839705205 583157988 /nfs/dbraw/zinc/15/79/88/583157988.db2.gz CUPDUTALOIKVFX-SZEHBUNVSA-N 0 1 255.274 -0.269 20 5 CBBDMN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839704499 583158011 /nfs/dbraw/zinc/15/80/11/583158011.db2.gz YQZPSOGQAMXONG-DJLDLDEBSA-N 0 1 270.289 -0.428 20 5 CBBDMN COc1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C(N)=O ZINC000839703726 583158060 /nfs/dbraw/zinc/15/80/60/583158060.db2.gz JCGJTGRZWVMCLX-HTRCEHHLSA-N 0 1 280.240 -0.207 20 5 CBBDMN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700880 583158140 /nfs/dbraw/zinc/15/81/40/583158140.db2.gz NCVMFVGHGMMYRE-DJLDLDEBSA-N 0 1 291.329 -0.808 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000839710100 583158553 /nfs/dbraw/zinc/15/85/53/583158553.db2.gz VDHAICXCPLOMBS-ZYUZMQFOSA-N 0 1 257.290 -0.513 20 5 CBBDMN COCCO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839731559 583158627 /nfs/dbraw/zinc/15/86/27/583158627.db2.gz SVZWVVMBFPKZAB-IVZWLZJFSA-N 0 1 258.274 -0.085 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](O)CC(F)(F)C1 ZINC000839734850 583158786 /nfs/dbraw/zinc/15/87/86/583158786.db2.gz ZCRVARMZIHOZRM-FSDSQADBSA-N 0 1 250.201 -0.120 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(=O)N(CC(F)(F)F)C1 ZINC000839737261 583158973 /nfs/dbraw/zinc/15/89/73/583158973.db2.gz UKOUMPNXVFWMJA-PHDIDXHHSA-N 0 1 281.190 -0.158 20 5 CBBDMN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12COC2 ZINC000839780838 583159527 /nfs/dbraw/zinc/15/95/27/583159527.db2.gz XFXVABLFOMKOTN-OPRDCNLKSA-N 0 1 298.295 -0.310 20 5 CBBDMN COC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]21 ZINC000839777408 583159712 /nfs/dbraw/zinc/15/97/12/583159712.db2.gz RRDBYGKSVQJDAL-ZEBDFXRSSA-N 0 1 254.242 -0.471 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000839773974 583159780 /nfs/dbraw/zinc/15/97/80/583159780.db2.gz KLSQWFGOBAGHDB-FNCVBFRFSA-N 0 1 276.314 -0.314 20 5 CBBDMN NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840311778 583163764 /nfs/dbraw/zinc/16/37/64/583163764.db2.gz XXFIPQLFWXHKPW-DJLDLDEBSA-N 0 1 270.289 -0.299 20 5 CBBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000840384133 583164367 /nfs/dbraw/zinc/16/43/67/583164367.db2.gz FBLBMRRRLCQURO-OPRDCNLKSA-N 0 1 285.300 -0.595 20 5 CBBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000840384132 583164527 /nfs/dbraw/zinc/16/45/27/583164527.db2.gz FBLBMRRRLCQURO-KXUCPTDWSA-N 0 1 285.300 -0.595 20 5 CBBDMN COC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840393788 583164572 /nfs/dbraw/zinc/16/45/72/583164572.db2.gz ZEXXOLKWGNKNQF-BRDIYROLSA-N 0 1 260.246 -0.654 20 5 CBBDMN COC[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840393790 583164579 /nfs/dbraw/zinc/16/45/79/583164579.db2.gz ZEXXOLKWGNKNQF-XSSZXYGBSA-N 0 1 260.246 -0.654 20 5 CBBDMN CC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840414771 583164941 /nfs/dbraw/zinc/16/49/41/583164941.db2.gz FNXYOIGWLNJKTG-IVZWLZJFSA-N 0 1 256.258 -0.142 20 5 CBBDMN CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840445684 583165023 /nfs/dbraw/zinc/16/50/23/583165023.db2.gz LNBZGFCDHTWSEY-JLIMGVALSA-N 0 1 274.317 -0.074 20 5 CBBDMN C[C@@H]1CN(CCO)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840474328 583165504 /nfs/dbraw/zinc/16/55/04/583165504.db2.gz GORODADRSWISEB-OPRDCNLKSA-N 0 1 257.290 -0.823 20 5 CBBDMN CC[C@@](COC)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840474256 583165516 /nfs/dbraw/zinc/16/55/16/583165516.db2.gz FGMPLNUGODJLKR-XLDPMVHQSA-N 0 1 274.273 -0.264 20 5 CBBDMN CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672191 583166318 /nfs/dbraw/zinc/16/63/18/583166318.db2.gz NTKPRWWJXUWHMS-BWZBUEFSSA-N 0 1 287.272 -0.183 20 5 CBBDMN COC(=O)CCC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672616 583166471 /nfs/dbraw/zinc/16/64/71/583166471.db2.gz DIUONWZVYBHLMO-HTQZYQBOSA-N 0 1 259.214 -0.283 20 5 CBBDMN CCOC(=O)CN(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673081 583166609 /nfs/dbraw/zinc/16/66/09/583166609.db2.gz HNDVZSXZFNJZLQ-HTQZYQBOSA-N 0 1 288.256 -0.784 20 5 CBBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000840673235 583166670 /nfs/dbraw/zinc/16/66/70/583166670.db2.gz VGKLSBVTIVZAQQ-AXTSPUMRSA-N 0 1 286.284 -0.122 20 5 CBBDMN CCOC(=O)[C@@H](COC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842339677 583183363 /nfs/dbraw/zinc/18/33/63/583183363.db2.gz VZSFZKSPEURONW-BWZBUEFSSA-N 0 1 261.230 -0.227 20 5 CBBDMN Cn1ncc(CCCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000842375683 583184181 /nfs/dbraw/zinc/18/41/81/583184181.db2.gz CIZABZNCDMIXKJ-RKDXNWHRSA-N 0 1 254.246 -0.044 20 5 CBBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC(=O)CN)CC2 ZINC000843495619 583229207 /nfs/dbraw/zinc/22/92/07/583229207.db2.gz VDNCDCUKJBVZHJ-UHFFFAOYSA-N 0 1 292.295 -0.133 20 5 CBBDMN Cc1ncc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(N)n1 ZINC000843883978 583240132 /nfs/dbraw/zinc/24/01/32/583240132.db2.gz NKYSOIVDKJHRRG-HTQZYQBOSA-N 0 1 251.246 -0.351 20 5 CBBDMN COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848119977 583428668 /nfs/dbraw/zinc/42/86/68/583428668.db2.gz VFHQMGSBBRQFEB-GMTAPVOTSA-N 0 1 293.279 -0.053 20 5 CBBDMN CON(C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849410704 583481883 /nfs/dbraw/zinc/48/18/83/583481883.db2.gz POQKWRNVTRRTNJ-UHFFFAOYSA-N 0 1 290.301 -0.239 20 5 CBBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000855206376 583635126 /nfs/dbraw/zinc/63/51/26/583635126.db2.gz HBONQXFTNHJHBE-ZYUZMQFOSA-N 0 1 258.274 -0.181 20 5 CBBDMN COC[C@]1(C(=O)OC)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855377480 583636866 /nfs/dbraw/zinc/63/68/66/583636866.db2.gz QWJRTBHEZDRWJF-LNLATYFQSA-N 0 1 286.284 -0.168 20 5 CBBDMN CCc1cc(=O)n2[nH]c(NC(=O)[C@@H]3CC3[N+](=O)[O-])nc2n1 ZINC000857685231 583681733 /nfs/dbraw/zinc/68/17/33/583681733.db2.gz VGDIGHNWCIXCNR-RNFRBKRXSA-N 0 1 292.255 -0.416 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)C2CC2)n1 ZINC000859008567 583706532 /nfs/dbraw/zinc/70/65/32/583706532.db2.gz OGQQXUJCIXYIDW-SSDOTTSWSA-N 0 1 290.301 -0.623 20 5 CBBDMN CCON(CC)C(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000862620507 583810312 /nfs/dbraw/zinc/81/03/12/583810312.db2.gz DTTWBMZSMUZCMW-UHFFFAOYSA-N 0 1 285.260 -0.152 20 5 CBBDMN COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869993790 584006518 /nfs/dbraw/zinc/00/65/18/584006518.db2.gz YUHOSVFOANMPMG-HNBLOZHYSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=C(N[C@H]1CC(=O)N(CC2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000882931711 584333911 /nfs/dbraw/zinc/33/39/11/584333911.db2.gz PIAWUPLHQMZGFX-IVZWLZJFSA-N 0 1 267.285 -0.221 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1NCCN1CCN(C)CC1 ZINC000891620104 584588183 /nfs/dbraw/zinc/58/81/83/584588183.db2.gz OMVIESDTISOOHZ-UHFFFAOYSA-N 0 1 268.321 -0.012 20 5 CBBDMN CSCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976481308 617229714 /nfs/dbraw/zinc/22/97/14/617229714.db2.gz IUAPTRURCFXROW-DZEUPHNYSA-N 0 1 299.352 -0.412 20 5 CBBDMN CC(C)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976475698 614142615 /nfs/dbraw/zinc/14/26/15/614142615.db2.gz XXHNVPBVKIWJFX-SPFKKGSWSA-N 0 1 299.302 -0.027 20 5 CBBDMN CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000972864495 614954615 /nfs/dbraw/zinc/95/46/15/614954615.db2.gz DAHAYRHDSLMSAL-FNCVBFRFSA-N 0 1 255.274 -0.175 20 5 CBBDMN COCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000959787225 616670245 /nfs/dbraw/zinc/67/02/45/616670245.db2.gz VGGZZABZPRROOA-LMLFDSFASA-N 0 1 297.311 -0.785 20 5 CBBDMN C[C@@H](O)C1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599351307 656174303 /nfs/dbraw/zinc/17/43/03/656174303.db2.gz XPWVERUTMVSURT-ZCFIWIBFSA-N 0 1 290.301 -0.480 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH]cn2)n1 ZINC000599353498 656174306 /nfs/dbraw/zinc/17/43/06/656174306.db2.gz HXRITQNPNPYPDS-UHFFFAOYSA-N 0 1 286.273 -0.470 20 5 CBBDMN COC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000895095317 656279347 /nfs/dbraw/zinc/27/93/47/656279347.db2.gz IHUNXOKSRCOYTR-PRJMDXOYSA-N 0 1 274.298 -0.231 20 5 CBBDMN CS(=O)(=O)N1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905062641 656336357 /nfs/dbraw/zinc/33/63/57/656336357.db2.gz YINYPVHKZJTRLR-QMMMGPOBSA-N 0 1 251.308 -0.723 20 5 CBBDMN CC(F)(F)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795165 656822180 /nfs/dbraw/zinc/82/21/80/656822180.db2.gz BLBUUFZQJPRHFS-HTQZYQBOSA-N 0 1 291.254 -0.119 20 5 CBBDMN O=C(NCC1CN(C(=O)c2ccc[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001795824 656822297 /nfs/dbraw/zinc/82/22/97/656822297.db2.gz JYSWJWRJBKYSSW-MWLCHTKSSA-N 0 1 292.295 -0.132 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@H](C)C1 ZINC000911810022 657136793 /nfs/dbraw/zinc/13/67/93/657136793.db2.gz KMIRRSOCRHCREI-MRVPVSSYSA-N 0 1 267.289 -0.080 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnccn1 ZINC000990097894 659668820 /nfs/dbraw/zinc/66/88/20/659668820.db2.gz DDFDGBMZBYMLNO-PSASIEDQSA-N 0 1 291.267 -0.918 20 5 CBBDMN Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC000990364896 659732677 /nfs/dbraw/zinc/73/26/77/659732677.db2.gz RIBTYMLLGLWDGM-PSASIEDQSA-N 0 1 293.283 -0.676 20 5 CBBDMN Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000990822703 659800429 /nfs/dbraw/zinc/80/04/29/659800429.db2.gz GFSYRQYKDHJJQW-PSASIEDQSA-N 0 1 293.283 -0.974 20 5 CBBDMN O=C(Cc1ccoc1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990992218 659808335 /nfs/dbraw/zinc/80/83/35/659808335.db2.gz VDOZHPIJHKKDPY-GHMZBOCLSA-N 0 1 293.279 -0.186 20 5 CBBDMN O=C(NC1CN(C(=O)C2CC=CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991278209 659829254 /nfs/dbraw/zinc/82/92/54/659829254.db2.gz GDHGLLYNXCZOEC-GHMZBOCLSA-N 0 1 279.296 -0.055 20 5 CBBDMN CC(F)(F)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991281302 659829599 /nfs/dbraw/zinc/82/95/99/659829599.db2.gz RTEYTAFALQIWEA-RNFRBKRXSA-N 0 1 277.227 -0.366 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991280178 659829726 /nfs/dbraw/zinc/82/97/26/659829726.db2.gz NSUDVWLUNVRFIB-VXNVDRBHSA-N 0 1 280.240 -0.720 20 5 CBBDMN O=C(NC1CN(C(=O)c2cncnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991282093 659829826 /nfs/dbraw/zinc/82/98/26/659829826.db2.gz WCADSMAXBXERKH-NXEZZACHSA-N 0 1 291.267 -0.918 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccncc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991279507 659829879 /nfs/dbraw/zinc/82/98/79/659829879.db2.gz MBEFWFOFBFQNHG-GHMZBOCLSA-N 0 1 290.279 -0.313 20 5 CBBDMN CC(C)(O)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991293219 659830719 /nfs/dbraw/zinc/83/07/19/659830719.db2.gz AHWSQYUDYMONTF-RKDXNWHRSA-N 0 1 285.300 -0.860 20 5 CBBDMN O=C(NC1CN(C(=O)c2ncc[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991295843 659830785 /nfs/dbraw/zinc/83/07/85/659830785.db2.gz JZDOQHJHTRWACS-HTQZYQBOSA-N 0 1 279.256 -0.985 20 5 CBBDMN Cc1conc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991294171 659830932 /nfs/dbraw/zinc/83/09/32/659830932.db2.gz TXEYEAMHNNEXFQ-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(NC1CN(C(=O)C2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991299768 659831148 /nfs/dbraw/zinc/83/11/48/659831148.db2.gz WILAOIATNXWXAT-NXEZZACHSA-N 0 1 267.285 -0.221 20 5 CBBDMN COc1nc(N2C[C@@H]3OCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164667109 719369119 /nfs/dbraw/zinc/36/91/19/719369119.db2.gz IBYMRGQTPSWDLP-UWVGGRQHSA-N 0 1 295.299 -0.087 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCOC)C1 ZINC001079743694 805942939 /nfs/dbraw/zinc/94/29/39/805942939.db2.gz BLEWDXREUMMWIO-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN Cc1cnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 ZINC001030292684 799290810 /nfs/dbraw/zinc/29/08/10/799290810.db2.gz RYTUEZJQPRHFIN-GHMZBOCLSA-N 0 1 291.311 -0.249 20 5 CBBDMN Cn1cc(CCN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001030292637 799291256 /nfs/dbraw/zinc/29/12/56/799291256.db2.gz PYIMBJFMLNZYNK-VXGBXAGGSA-N 0 1 293.327 -0.572 20 5 CBBDMN O=C(NCC1CN(Cc2cnsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662218 799530376 /nfs/dbraw/zinc/53/03/76/799530376.db2.gz XMUWUWZCTNPEML-NXEZZACHSA-N 0 1 297.340 -0.249 20 5 CBBDMN Cn1ccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001031661736 799530716 /nfs/dbraw/zinc/53/07/16/799530716.db2.gz GHAVLWHSJXRLMX-VXGBXAGGSA-N 0 1 293.327 -0.367 20 5 CBBDMN Cn1cc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001031662191 799530750 /nfs/dbraw/zinc/53/07/50/799530750.db2.gz WNNCNSKWYHTECJ-VXGBXAGGSA-N 0 1 293.327 -0.367 20 5 CBBDMN C/C=C(\C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042430641 801465337 /nfs/dbraw/zinc/46/53/37/801465337.db2.gz CLVIYTIFUSKOLV-ZCFALZCBSA-N 0 1 297.311 -0.693 20 5 CBBDMN O=C(NCCN(CCO)C(=O)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001056761288 802461307 /nfs/dbraw/zinc/46/13/07/802461307.db2.gz IFZUHWUXAWJSFZ-GHMZBOCLSA-N 0 1 299.327 -0.611 20 5 CBBDMN C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001124307925 813431652 /nfs/dbraw/zinc/43/16/52/813431652.db2.gz MECJKCMYUJIVKM-ZXFLCMHBSA-N 0 1 262.287 -0.655 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001321590506 803787694 /nfs/dbraw/zinc/78/76/94/803787694.db2.gz UBEOXCGVNNGXPY-ZCFIWIBFSA-N 0 1 267.245 -0.426 20 5 CBBDMN COC(COCCNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC001321794066 803814539 /nfs/dbraw/zinc/81/45/39/803814539.db2.gz LIRBBIYXBRDPAV-UHFFFAOYSA-N 0 1 288.260 -0.317 20 5 CBBDMN C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001323197905 803989277 /nfs/dbraw/zinc/98/92/77/803989277.db2.gz UIAAZYKFECWGGQ-SECBINFHSA-N 0 1 288.285 -0.375 20 5 CBBDMN Cn1cnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323437674 804028865 /nfs/dbraw/zinc/02/88/65/804028865.db2.gz NJSSBXMSIZYTLS-RKDXNWHRSA-N 0 1 294.315 -0.781 20 5 CBBDMN COC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC001323543222 804040684 /nfs/dbraw/zinc/04/06/84/804040684.db2.gz FKNDOZUEQHBONZ-YFKPBYRVSA-N 0 1 272.217 -0.764 20 5 CBBDMN COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001149852401 815011285 /nfs/dbraw/zinc/01/12/85/815011285.db2.gz XUYIKDQRCQVZJS-DJLDLDEBSA-N 0 1 295.299 -0.479 20 5 CBBDMN CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001069917641 805163018 /nfs/dbraw/zinc/16/30/18/805163018.db2.gz BRSKYRGTENLNBP-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OCCO)CC1 ZINC001151086893 815059819 /nfs/dbraw/zinc/05/98/19/815059819.db2.gz LWOBRSAELDKOMH-NXEZZACHSA-N 0 1 258.274 -0.349 20 5 CBBDMN CCCNC(=O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835824 811604597 /nfs/dbraw/zinc/60/45/97/811604597.db2.gz QFZJPFIDTYLTNT-GHMZBOCLSA-N 0 1 298.343 -0.678 20 5 CBBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1nnnc1CN ZINC001158077438 815503282 /nfs/dbraw/zinc/50/32/82/815503282.db2.gz PPVOQRXRRBMGRC-UHFFFAOYSA-N 0 1 293.243 -0.399 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CC=CC1 ZINC001116127497 812225282 /nfs/dbraw/zinc/22/52/82/812225282.db2.gz BQSKASJIZBFRKI-UHFFFAOYSA-N 0 1 292.295 -0.256 20 5 CBBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1COCCN1 ZINC001159043743 815556226 /nfs/dbraw/zinc/55/62/26/815556226.db2.gz IHNIAVFMBANOGN-SECBINFHSA-N 0 1 268.273 -0.063 20 5 CBBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1COCCN1 ZINC001159043744 815556463 /nfs/dbraw/zinc/55/64/63/815556463.db2.gz IHNIAVFMBANOGN-VIFPVBQESA-N 0 1 268.273 -0.063 20 5 CBBDMN COc1nc(NC[C@@H]2COCCN2)nc(OC)c1[N+](=O)[O-] ZINC001159043606 815556836 /nfs/dbraw/zinc/55/68/36/815556836.db2.gz VQQGWVYKLOGYLH-SSDOTTSWSA-N 0 1 299.287 -0.198 20 5 CBBDMN CC(=O)NCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001122668181 813183405 /nfs/dbraw/zinc/18/34/05/813183405.db2.gz VHKYIFAOBRVTSX-UHFFFAOYSA-N 0 1 294.311 -0.063 20 5 CBBDMN COC(=O)[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC001126890006 813691030 /nfs/dbraw/zinc/69/10/30/813691030.db2.gz MBRAIYMDEOBAOJ-BRDIYROLSA-N 0 1 258.230 -0.900 20 5 CBBDMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001138019011 814597792 /nfs/dbraw/zinc/59/77/92/814597792.db2.gz VAOTYIQSZFDTHW-HRDYMLBCSA-N 0 1 282.256 -0.725 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)Cn2c(C)ncc2[N+](=O)[O-])n1 ZINC001144010155 814772086 /nfs/dbraw/zinc/77/20/86/814772086.db2.gz DODZDRSBQKDKTO-UHFFFAOYSA-N 0 1 293.287 -0.115 20 5 CBBDMN CNC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001162411129 815815469 /nfs/dbraw/zinc/81/54/69/815815469.db2.gz NSQWGGWKPAKODC-SSDOTTSWSA-N 0 1 281.272 -0.166 20 5 CBBDMN CC(C)(CNS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001289116816 816422647 /nfs/dbraw/zinc/42/26/47/816422647.db2.gz DUZSKLGJDJIWJN-RNFRBKRXSA-N 0 1 279.318 -0.904 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC001292447331 816448854 /nfs/dbraw/zinc/44/88/54/816448854.db2.gz QMMRERAKSGXLKC-NXEZZACHSA-N 0 1 278.268 -0.407 20 5 CBBDMN O=C(NCCNC(=O)C1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001292628697 816473607 /nfs/dbraw/zinc/47/36/07/816473607.db2.gz LHFRILIHOBPMCE-HTQZYQBOSA-N 0 1 291.254 -0.071 20 5 CBBDMN CCN(CCNC(=O)c1cnon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296358901 816610464 /nfs/dbraw/zinc/61/04/64/816610464.db2.gz SCZOTYFTFXMMBP-VXNVDRBHSA-N 0 1 297.271 -0.687 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(CO)(CO)C1 ZINC001303467028 816766649 /nfs/dbraw/zinc/76/66/49/816766649.db2.gz SEYMNNBYXHKSGK-UHFFFAOYSA-N 0 1 282.252 -0.273 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](CO)[C@@H](CCO)C1 ZINC001305755547 816789392 /nfs/dbraw/zinc/78/93/92/816789392.db2.gz YNQDSOXUMMCKSQ-SGIHWFKDSA-N 0 1 258.274 -0.899 20 5 CBBDMN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC001307770887 816807872 /nfs/dbraw/zinc/80/78/72/816807872.db2.gz XIIHECBNRVWBFT-GHMZBOCLSA-N 0 1 283.284 -0.552 20 5 CBBDMN COCC(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001317071355 816927363 /nfs/dbraw/zinc/92/73/63/816927363.db2.gz DURJBNQNEBBKQV-KYZUINATSA-N 0 1 297.315 -0.289 20 5 CBBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nncn1C ZINC001319729650 817236640 /nfs/dbraw/zinc/23/66/40/817236640.db2.gz PPLADCPHNFPFAN-RXMQYKEDSA-N 0 1 265.233 -0.063 20 5 CBBDMN COCC[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001321164214 817453459 /nfs/dbraw/zinc/45/34/59/817453459.db2.gz CZIGPWYYPYWKMQ-LURJTMIESA-N 0 1 258.234 -0.555 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001165438124 819964163 /nfs/dbraw/zinc/96/41/63/819964163.db2.gz DKWXWSZGYFPQJN-VIFPVBQESA-N 0 1 281.272 -0.356 20 5 CBBDMN Cc1ncc(CN)c(=N)n1-c1nccnc1[N+](=O)[O-] ZINC001167671681 820110572 /nfs/dbraw/zinc/11/05/72/820110572.db2.gz LVNWUABETMAAPV-UHFFFAOYSA-N 0 1 261.245 -0.183 20 5 CBBDMN COc1ncc([N+](=O)[O-])cc1-n1nnnc1CN ZINC001168920261 820191563 /nfs/dbraw/zinc/19/15/63/820191563.db2.gz LSRFFQJZCWVEEF-UHFFFAOYSA-N 0 1 251.206 -0.567 20 5 CBBDMN COc1nc(-n2nnnc2CN)nc(C)c1[N+](=O)[O-] ZINC001168918621 820191703 /nfs/dbraw/zinc/19/17/03/820191703.db2.gz HTMBGYRYDZISOA-UHFFFAOYSA-N 0 1 266.221 -0.864 20 5 CBBDMN O=C(N[C@H](CO)[C@H](O)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001171166037 820349038 /nfs/dbraw/zinc/34/90/38/820349038.db2.gz FPQPRJBOBOOCIJ-GWOFURMSSA-N 0 1 281.268 -0.743 20 5 CBBDMN O=C(NCCc1cnc(=O)[nH]c1)[C@@H]1CC1[N+](=O)[O-] ZINC001184141915 821056673 /nfs/dbraw/zinc/05/66/73/821056673.db2.gz ZWDUUPRUXGTEPB-HTQZYQBOSA-N 0 1 252.230 -0.494 20 5 CBBDMN Cn1cncc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283246543 828510599 /nfs/dbraw/zinc/51/05/99/828510599.db2.gz JEIJODNNGNQYBP-RKDXNWHRSA-N 0 1 295.299 -0.679 20 5 CBBDMN CC(C)C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284521619 828608709 /nfs/dbraw/zinc/60/87/09/828608709.db2.gz DGBXQTQHZRQNQB-RKDXNWHRSA-N 0 1 257.290 -0.118 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC001195012090 824097868 /nfs/dbraw/zinc/09/78/68/824097868.db2.gz GPABCQXXIZBCKO-UHTWSYAYSA-N 0 1 282.296 -0.087 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](O)[C@H](CO)C2)c1 ZINC001195012090 824097873 /nfs/dbraw/zinc/09/78/73/824097873.db2.gz GPABCQXXIZBCKO-UHTWSYAYSA-N 0 1 282.296 -0.087 20 5 CBBDMN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nn[nH]n1)C2 ZINC001223028082 825225981 /nfs/dbraw/zinc/22/59/81/825225981.db2.gz WWRJHVFTTJTWSW-YFKPBYRVSA-N 0 1 267.205 -0.718 20 5 CBBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001253825831 825934874 /nfs/dbraw/zinc/93/48/74/825934874.db2.gz RGOZDGNWLPTURZ-SECBINFHSA-N 0 1 296.331 -0.316 20 5 CBBDMN Cn1ccnc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253825616 825935282 /nfs/dbraw/zinc/93/52/82/825935282.db2.gz OGCFRFONLAFKRJ-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN Cn1cc[nH+]c1CNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC001253825616 825935289 /nfs/dbraw/zinc/93/52/89/825935289.db2.gz OGCFRFONLAFKRJ-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN C[C@H]1OCC[C@@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001256261708 826007071 /nfs/dbraw/zinc/00/70/71/826007071.db2.gz CFTHOWRNKQYGMH-LHLIQPBNSA-N 0 1 270.245 -0.412 20 5 CBBDMN C[C@@H]1OCC[C@]1(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001256261710 826007337 /nfs/dbraw/zinc/00/73/37/826007337.db2.gz CFTHOWRNKQYGMH-WKEGUHRASA-N 0 1 270.245 -0.412 20 5 CBBDMN CN1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC001256346399 826016828 /nfs/dbraw/zinc/01/68/28/826016828.db2.gz GMKOLIUCKZSOSU-LURJTMIESA-N 0 1 267.245 -0.332 20 5 CBBDMN C[S@@](=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001262199759 826659865 /nfs/dbraw/zinc/65/98/65/826659865.db2.gz YPXIRRCBHYNDEA-QGZVFWFLSA-N 0 1 260.275 -0.184 20 5 CBBDMN O=C(NCCOC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001262381629 826685378 /nfs/dbraw/zinc/68/53/78/826685378.db2.gz XIWCLEUORHHTEM-NXEZZACHSA-N 0 1 258.274 -0.037 20 5 CBBDMN O=C(NCCS(=O)(=O)CC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001265932081 826938367 /nfs/dbraw/zinc/93/83/67/826938367.db2.gz CYIVYJNMGFTPLM-RKDXNWHRSA-N 0 1 276.314 -0.407 20 5 CBBDMN Cc1nonc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194414 827126079 /nfs/dbraw/zinc/12/60/79/827126079.db2.gz OXDHGJLPSPYJGS-PSASIEDQSA-N 0 1 283.288 -0.409 20 5 CBBDMN CN(CCNCc1cnn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371824 827160521 /nfs/dbraw/zinc/16/05/21/827160521.db2.gz WPKJZJQQRLODJY-NXEZZACHSA-N 0 1 282.304 -0.972 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CO)(CO)C1 ZINC001328430418 885685082 /nfs/dbraw/zinc/68/50/82/885685082.db2.gz ZOEVSMLCPZSEAS-UHFFFAOYSA-N 0 1 297.311 -0.567 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2[nH]nnc2C1 ZINC001329604568 886140153 /nfs/dbraw/zinc/14/01/53/886140153.db2.gz PGIMSPRQSGQCKD-UHFFFAOYSA-N 0 1 291.271 -0.197 20 5 CBBDMN O=C(N[C@H](CCO)C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001447410601 913077680 /nfs/dbraw/zinc/07/76/80/913077680.db2.gz FPLYHDIHTUBSLA-GMTAPVOTSA-N 0 1 272.301 -0.055 20 5 CBBDMN CN1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC001332563925 887357263 /nfs/dbraw/zinc/35/72/63/887357263.db2.gz NNHMSXZSAWSPIV-UHFFFAOYSA-N 0 1 294.315 -0.610 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001335582706 888570699 /nfs/dbraw/zinc/57/06/99/888570699.db2.gz CJJIDNLSSJIWPN-QMMMGPOBSA-N 0 1 291.271 -0.075 20 5 CBBDMN O=C(NCC1(CO)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001336475029 888773342 /nfs/dbraw/zinc/77/33/42/888773342.db2.gz MQYMBGUPXTURCX-UHFFFAOYSA-N 0 1 284.272 -0.163 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3[nH]nnc3C2)n1 ZINC001338750028 889199460 /nfs/dbraw/zinc/19/94/60/889199460.db2.gz KLLWBNMMVFRLFB-UHFFFAOYSA-N 0 1 277.244 -0.355 20 5 CBBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339549782 889289014 /nfs/dbraw/zinc/28/90/14/889289014.db2.gz SLYJKHVLRRZHOE-VIFPVBQESA-N 0 1 296.331 -0.316 20 5 CBBDMN O=C([O-])C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001339749754 889317462 /nfs/dbraw/zinc/31/74/62/889317462.db2.gz YHIVOXSIEMIRLT-NSHDSACASA-N 0 1 298.299 -0.051 20 5 CBBDMN O=C(Cc1cnoc1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348934794 890727947 /nfs/dbraw/zinc/72/79/47/890727947.db2.gz XMOQWRMJLYRIBL-RKDXNWHRSA-N 0 1 282.256 -0.885 20 5 CBBDMN COC(=O)[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC001350300362 890961760 /nfs/dbraw/zinc/96/17/60/890961760.db2.gz IEOPNKDLAILXDY-FNCVBFRFSA-N 0 1 272.257 -0.560 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC001350300374 890961972 /nfs/dbraw/zinc/96/19/72/890961972.db2.gz IEOPNKDLAILXDY-KDXUFGMBSA-N 0 1 272.257 -0.560 20 5 CBBDMN O=C([O-])[C@]12COC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC001350394100 890976941 /nfs/dbraw/zinc/97/69/41/890976941.db2.gz JANBDEIHTLWWHN-BXKDBHETSA-N 0 1 296.283 -0.176 20 5 CBBDMN COCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001353537104 891443324 /nfs/dbraw/zinc/44/33/24/891443324.db2.gz OOEVPHATUAVOOO-FNCVBFRFSA-N 0 1 271.273 -0.939 20 5 CBBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCNC[C@H]1CO ZINC001354593875 891595627 /nfs/dbraw/zinc/59/56/27/891595627.db2.gz OXPMVBKHVGEVQH-NSHDSACASA-N 0 1 279.296 -0.070 20 5 CBBDMN Cc1c[nH]nc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355591385 891692495 /nfs/dbraw/zinc/69/24/95/891692495.db2.gz CFNJEXHRRKXIFG-RKDXNWHRSA-N 0 1 295.299 -0.428 20 5 CBBDMN CC(C)OCC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355592547 891692598 /nfs/dbraw/zinc/69/25/98/891692598.db2.gz ZAQQGYMTLLJZHV-NXEZZACHSA-N 0 1 287.316 -0.349 20 5 CBBDMN O=C(CC(F)(F)F)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356747281 891794957 /nfs/dbraw/zinc/79/49/57/891794957.db2.gz PUDDDMNVTOPCRU-RNFRBKRXSA-N 0 1 295.217 -0.069 20 5 CBBDMN O=C(CCNCC[N+](=O)[O-])NCc1ccccn1 ZINC001357127872 891852718 /nfs/dbraw/zinc/85/27/18/891852718.db2.gz XCKTUXSUVVFLEP-UHFFFAOYSA-N 0 1 252.274 -0.046 20 5 CBBDMN CC(C)S(=O)(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001450763553 913733082 /nfs/dbraw/zinc/73/30/82/913733082.db2.gz ZSNOFQNKXCLIBV-HTQZYQBOSA-N 0 1 264.303 -0.409 20 5 CBBDMN O=C(N[C@@H](CO)[C@@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC001451446085 913843266 /nfs/dbraw/zinc/84/32/66/913843266.db2.gz MBRWWAQYMWRMDP-DOLQZWNJSA-N 0 1 258.274 -0.445 20 5 CBBDMN CNC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001451454319 913846271 /nfs/dbraw/zinc/84/62/71/913846271.db2.gz OCFXSLGEZCJPRI-RKDXNWHRSA-N 0 1 270.289 -0.428 20 5 CBBDMN Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001452733922 914024199 /nfs/dbraw/zinc/02/41/99/914024199.db2.gz GXCVCAXMRYMBGD-RNFRBKRXSA-N 0 1 252.230 -0.228 20 5 CBBDMN Cc1nc(CNC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC001456831612 914515113 /nfs/dbraw/zinc/51/51/13/914515113.db2.gz HOTYHQJBJXZGCJ-UHFFFAOYSA-N 0 1 265.233 -0.315 20 5 CBBDMN O=C(N[C@]12CC(=O)N[C@H]1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001440006658 911342145 /nfs/dbraw/zinc/34/21/45/911342145.db2.gz VEJTZUWMTXHNQO-KZFFXBSXSA-N 0 1 267.285 -0.031 20 5 CBBDMN O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1n[nH]cc1[N+](=O)[O-] ZINC001468119426 915272988 /nfs/dbraw/zinc/27/29/88/915272988.db2.gz QRLAFOHYLQTQFE-DTORHVGOSA-N 0 1 295.299 -0.089 20 5 CBBDMN O=C(NC[C@H]1CCCCN1CCO)c1c[nH]nc1[N+](=O)[O-] ZINC001468292415 915286686 /nfs/dbraw/zinc/28/66/86/915286686.db2.gz SWEFZYNAEPECEH-SECBINFHSA-N 0 1 297.315 -0.106 20 5 CBBDMN COC(=O)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001472401882 915732689 /nfs/dbraw/zinc/73/26/89/915732689.db2.gz VNYISTWKGDJWBB-DOLQZWNJSA-N 0 1 286.284 -0.407 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@H](O)[C@@H](O)C2)n1 ZINC001473721612 915852192 /nfs/dbraw/zinc/85/21/92/915852192.db2.gz ALKNOSUCKQCOGC-BDAKNGLRSA-N 0 1 256.262 -0.781 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2cnon2)CC1 ZINC001480357010 916370223 /nfs/dbraw/zinc/37/02/23/916370223.db2.gz PNTRZNNDZJBVKJ-NXEZZACHSA-N 0 1 281.272 -0.621 20 5 CBBDMN Cc1ncoc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491201512 919079929 /nfs/dbraw/zinc/07/99/29/919079929.db2.gz BZFMJNRIDBODND-HTQZYQBOSA-N 0 1 282.256 -0.506 20 5 CBBDMN COCCC(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492242395 919370787 /nfs/dbraw/zinc/37/07/87/919370787.db2.gz OUYRJSJZMCMFOP-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001492249333 919377899 /nfs/dbraw/zinc/37/78/99/919377899.db2.gz CUOOUZUHHOXAGE-GHMZBOCLSA-N 0 1 281.316 -0.367 20 5 CBBDMN Cc1ncoc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496013842 920006026 /nfs/dbraw/zinc/00/60/26/920006026.db2.gz VIWBLFYQKNIZLP-RKDXNWHRSA-N 0 1 296.283 -0.164 20 5 CBBDMN CN(CCNC(=O)CCCF)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496402099 920065552 /nfs/dbraw/zinc/06/55/52/920065552.db2.gz DERMCUFRFHUUMH-RKDXNWHRSA-N 0 1 275.280 -0.024 20 5 CBBDMN COCCC(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001497356237 920287829 /nfs/dbraw/zinc/28/78/29/920287829.db2.gz UTZMNWUAMUFQEV-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CN2CCC1CC2 ZINC001514747960 922214601 /nfs/dbraw/zinc/21/46/01/922214601.db2.gz KXBVOQCTYIRAOC-SECBINFHSA-N 0 1 280.288 -0.603 20 5 CBBDMN C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001518768274 922269829 /nfs/dbraw/zinc/26/98/29/922269829.db2.gz GFYPYPFAGQYFCY-BWZBUEFSSA-N 0 1 264.303 -0.409 20 5 CBBDMN COC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001521573943 922371273 /nfs/dbraw/zinc/37/12/73/922371273.db2.gz KPLSAOIUXBYAHM-HTQZYQBOSA-N 0 1 272.257 -0.510 20 5 CBBDMN COC1(c2nccn2C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001521831514 922384575 /nfs/dbraw/zinc/38/45/75/922384575.db2.gz OOJPHTMIAMFAKO-RKDXNWHRSA-N 0 1 280.284 -0.231 20 5 CBBDMN NC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC001523059326 922565572 /nfs/dbraw/zinc/56/55/72/922565572.db2.gz DMDLDYCGKKNECJ-VDAHYXPESA-N 0 1 264.241 -0.611 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001527749101 922770641 /nfs/dbraw/zinc/77/06/41/922770641.db2.gz NYCQYXFFZAEFPU-KVQBGUIXSA-N 0 1 283.206 -0.165 20 5 CBBDMN CN(CCNC(=O)c1cncs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001527952428 922781412 /nfs/dbraw/zinc/78/14/12/922781412.db2.gz HHSHRXNGNCMBJZ-HTQZYQBOSA-N 0 1 298.324 -0.004 20 5 CBBDMN CSCCC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528111938 922804137 /nfs/dbraw/zinc/80/41/37/922804137.db2.gz ZTMYYYWVDFYKGS-RKDXNWHRSA-N 0 1 289.357 -0.021 20 5 CBBDMN CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001534399141 923146723 /nfs/dbraw/zinc/14/67/23/923146723.db2.gz IZULDKZGYYRXDD-IVZWLZJFSA-N 0 1 290.341 -0.065 20 5 CBBDMN O=C(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CC1 ZINC001535150267 923182225 /nfs/dbraw/zinc/18/22/25/923182225.db2.gz NBOBXJHTMWCSJP-RKDXNWHRSA-N 0 1 255.274 -0.173 20 5 CBBDMN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC001537226236 923232270 /nfs/dbraw/zinc/23/22/70/923232270.db2.gz SQUREVLURYCYOC-SGIHWFKDSA-N 0 1 285.300 -0.596 20 5 CBBDMN C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537955990 923240245 /nfs/dbraw/zinc/24/02/45/923240245.db2.gz OQOPEGWACFIUKK-RRKCRQDMSA-N 0 1 250.276 -0.799 20 5 CBBDMN O=C(NC[C@H]1CCS(=O)(=O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001540667548 923262598 /nfs/dbraw/zinc/26/25/98/923262598.db2.gz LLVMXHPNYNIMCD-ZCFIWIBFSA-N 0 1 288.285 -0.518 20 5 CBBDMN NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001544545258 923305720 /nfs/dbraw/zinc/30/57/20/923305720.db2.gz DRYCOLCKCZTYFX-HTRCEHHLSA-N 0 1 250.214 -0.216 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001556619413 924068392 /nfs/dbraw/zinc/06/83/92/924068392.db2.gz NAGMNVHFTKLDDT-ZYUZMQFOSA-N 0 1 288.325 -0.170 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC3(C2)CN(C)C(=O)O3)c1[N+](=O)[O-] ZINC001557070903 924105332 /nfs/dbraw/zinc/10/53/32/924105332.db2.gz FDUSLRMJKMHKQO-UHFFFAOYSA-N 0 1 295.255 -0.097 20 5 CBBDMN CNS(=O)(=O)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000377597982 530013335 /nfs/dbraw/zinc/01/33/35/530013335.db2.gz BFQNZCDYHWYESY-DTWKUNHWSA-N 0 1 291.329 -0.808 20 5 CBBDMN CNC(=O)C1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000274404087 352536752 /nfs/dbraw/zinc/53/67/52/352536752.db2.gz SZUMATNUYQSLAN-UHFFFAOYSA-N 0 1 267.245 -0.556 20 5 CBBDMN CN(C)C1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271329926 191078097 /nfs/dbraw/zinc/07/80/97/191078097.db2.gz AWFDFVRYGAWMMB-UHFFFAOYSA-N 0 1 253.262 -0.286 20 5 CBBDMN O=C(CNC(=O)c1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC000040507802 351415104 /nfs/dbraw/zinc/41/51/04/351415104.db2.gz ZEQIXJUFTMXWQQ-UHFFFAOYSA-N 0 1 292.295 -0.244 20 5 CBBDMN NCC(=O)NCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015936 351497396 /nfs/dbraw/zinc/49/73/96/351497396.db2.gz KJQFNXQTNCGARP-UHFFFAOYSA-N 0 1 266.257 -0.714 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000074396234 351661316 /nfs/dbraw/zinc/66/13/16/351661316.db2.gz PONZETXLLYSJKG-WDEREUQCSA-N 0 1 279.300 -0.266 20 5 CBBDMN CCNC(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000068104543 351614988 /nfs/dbraw/zinc/61/49/88/351614988.db2.gz VGVMQGWDQPGXTE-QWRGUYRKSA-N 0 1 298.343 -0.678 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCNC(=O)CC1 ZINC000090525904 351740964 /nfs/dbraw/zinc/74/09/64/351740964.db2.gz MOEXJSNWKQJDPU-UHFFFAOYSA-N 0 1 280.284 -0.422 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000160622118 351971939 /nfs/dbraw/zinc/97/19/39/351971939.db2.gz ZLZBDONREFTLQX-IONNQARKSA-N 0 1 283.288 -0.233 20 5 CBBDMN COC(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000274729575 352544335 /nfs/dbraw/zinc/54/43/35/352544335.db2.gz CLIRSRPYLUEOIM-WKEGUHRASA-N 0 1 298.251 -0.047 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1CO ZINC000274806586 352545432 /nfs/dbraw/zinc/54/54/32/352545432.db2.gz LPXCRIKXPNONPM-ONGXEEELSA-N 0 1 282.252 -0.132 20 5 CBBDMN O=C(NC(CO)CO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274829868 352546109 /nfs/dbraw/zinc/54/61/09/352546109.db2.gz RPERBUUAINVSTB-UHFFFAOYSA-N 0 1 256.214 -0.617 20 5 CBBDMN COCCN1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000270805809 352501975 /nfs/dbraw/zinc/50/19/75/352501975.db2.gz VMZJXYZDPNZQDL-MRVPVSSYSA-N 0 1 283.288 -0.232 20 5 CBBDMN CCc1[nH]nc(C(=O)N(C)CCOCCO)c1[N+](=O)[O-] ZINC000282223376 352602442 /nfs/dbraw/zinc/60/24/42/352602442.db2.gz SUCOJLCIMQOLJV-UHFFFAOYSA-N 0 1 286.288 -0.039 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000282303954 352603253 /nfs/dbraw/zinc/60/32/53/352603253.db2.gz IJAMPDIRGDWLRM-ZCFIWIBFSA-N 0 1 281.272 -0.071 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000282303950 352603298 /nfs/dbraw/zinc/60/32/98/352603298.db2.gz IJAMPDIRGDWLRM-LURJTMIESA-N 0 1 281.272 -0.071 20 5 CBBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000295492130 352706523 /nfs/dbraw/zinc/70/65/23/352706523.db2.gz OQJLZTJYLVXWJY-VIFPVBQESA-N 0 1 297.315 -0.106 20 5 CBBDMN O=C(N[C@@H](CO)CN1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000298619436 352714010 /nfs/dbraw/zinc/71/40/10/352714010.db2.gz OZYSNRWXXVQCCL-SECBINFHSA-N 0 1 297.315 -0.106 20 5 CBBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@H](O)[C@@H](O)C1 ZINC000330454112 352827423 /nfs/dbraw/zinc/82/74/23/352827423.db2.gz MBTAUCORRCWMBB-QWRGUYRKSA-N 0 1 254.242 -0.162 20 5 CBBDMN CN1CCO[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000330525978 352839945 /nfs/dbraw/zinc/83/99/45/352839945.db2.gz KNAFLFYMHVRARZ-ZETCQYMHSA-N 0 1 269.261 -0.622 20 5 CBBDMN NC(=O)C1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000152437683 188018578 /nfs/dbraw/zinc/01/85/78/188018578.db2.gz CYTLQWFGEZXSHK-SNVBAGLBSA-N 0 1 295.295 -0.058 20 5 CBBDMN NC(=O)N[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342868748 353237241 /nfs/dbraw/zinc/23/72/41/353237241.db2.gz QSGLHYPHHVPZJL-MRVPVSSYSA-N 0 1 268.277 -0.466 20 5 CBBDMN O=C(N[C@H]1CCCCNC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343097460 353252150 /nfs/dbraw/zinc/25/21/50/353252150.db2.gz IKARPUYPASQLKF-LURJTMIESA-N 0 1 267.245 -0.284 20 5 CBBDMN CCCNC(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343091106 353252603 /nfs/dbraw/zinc/25/26/03/353252603.db2.gz BKCRVWXNYZBDPZ-UHFFFAOYSA-N 0 1 255.234 -0.426 20 5 CBBDMN CCCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000343402853 353270400 /nfs/dbraw/zinc/27/04/00/353270400.db2.gz MPQKFJJHYRBZRU-UHFFFAOYSA-N 0 1 282.304 -0.260 20 5 CBBDMN CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000343464085 353274412 /nfs/dbraw/zinc/27/44/12/353274412.db2.gz WIVZLDGFUDZTIG-YFKPBYRVSA-N 0 1 255.234 -0.298 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000345875975 353352271 /nfs/dbraw/zinc/35/22/71/353352271.db2.gz YRSIXYFNEVFIFN-ZETCQYMHSA-N 0 1 297.271 -0.793 20 5 CBBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])OCCO ZINC000354179825 353547361 /nfs/dbraw/zinc/54/73/61/353547361.db2.gz LDHOMBQHRMZTIC-UHFFFAOYSA-N 0 1 272.261 -0.165 20 5 CBBDMN C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000354689420 353578303 /nfs/dbraw/zinc/57/83/03/353578303.db2.gz WNKBFQBSMIKHQY-JTQLQIEISA-N 0 1 269.261 -0.886 20 5 CBBDMN C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])n[n-]2)C1 ZINC000354689420 353578304 /nfs/dbraw/zinc/57/83/04/353578304.db2.gz WNKBFQBSMIKHQY-JTQLQIEISA-N 0 1 269.261 -0.886 20 5 CBBDMN C[C@H](CO)N1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000355160568 353588507 /nfs/dbraw/zinc/58/85/07/353588507.db2.gz FXADWVZKVXORBR-SECBINFHSA-N 0 1 297.315 -0.153 20 5 CBBDMN COCCN1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357900322 353612872 /nfs/dbraw/zinc/61/28/72/353612872.db2.gz VEBIYIYHIUWOCR-VIFPVBQESA-N 0 1 297.315 -0.221 20 5 CBBDMN C[C@]1(C(N)=O)CCCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363819209 353670656 /nfs/dbraw/zinc/67/06/56/353670656.db2.gz HIOALMDWICUKKP-DKCNOQQISA-N 0 1 255.274 -0.092 20 5 CBBDMN C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000365330395 353673388 /nfs/dbraw/zinc/67/33/88/353673388.db2.gz LDZWIWWRNABQNF-HLTSFMKQSA-N 0 1 276.314 -0.313 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366842950 353678459 /nfs/dbraw/zinc/67/84/59/353678459.db2.gz DJHDKYYFDSHWSZ-RYPBNFRJSA-N 0 1 269.257 -0.392 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1Cn1cncn1 ZINC000370979322 353693772 /nfs/dbraw/zinc/69/37/72/353693772.db2.gz NHCDKTHUVZQZAE-OPRDCNLKSA-N 0 1 265.273 -0.066 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000373563099 353733036 /nfs/dbraw/zinc/73/30/36/353733036.db2.gz TTWQCUCQWFPLNQ-FNCVBFRFSA-N 0 1 256.258 -0.081 20 5 CBBDMN CN(C)C(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000371438163 353701704 /nfs/dbraw/zinc/70/17/04/353701704.db2.gz ADBGGZRJQWZJGT-WDEREUQCSA-N 0 1 298.343 -0.726 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000372561908 353719734 /nfs/dbraw/zinc/71/97/34/353719734.db2.gz ABHRPXFOCNNACR-VGMNWLOBSA-N 0 1 255.274 -0.221 20 5 CBBDMN CCc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000373427925 353731593 /nfs/dbraw/zinc/73/15/93/353731593.db2.gz RYHUACGFVLVLLK-UYXSQOIJSA-N 0 1 296.283 -0.069 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1 ZINC000374961009 353751367 /nfs/dbraw/zinc/75/13/67/353751367.db2.gz DWMKKGZNQAJDGC-OPRDCNLKSA-N 0 1 255.274 -0.805 20 5 CBBDMN O=C(NC1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000375298904 353757805 /nfs/dbraw/zinc/75/78/05/353757805.db2.gz XTKQMDRYKUNPSA-IUCAKERBSA-N 0 1 253.258 -0.611 20 5 CBBDMN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000375338575 353758758 /nfs/dbraw/zinc/75/87/58/353758758.db2.gz YOKBUWHVEKEXST-HJGDQZAQSA-N 0 1 267.285 -0.175 20 5 CBBDMN C[C@@H]1CC(=O)NCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844325 353768104 /nfs/dbraw/zinc/76/81/04/353768104.db2.gz VGJXQIKPKVDCND-KOLCDFICSA-N 0 1 297.315 -0.637 20 5 CBBDMN C[C@H]1CC(=O)NCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844324 353768310 /nfs/dbraw/zinc/76/83/10/353768310.db2.gz VGJXQIKPKVDCND-GXSJLCMTSA-N 0 1 297.315 -0.637 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)cn1 ZINC000374243238 353743603 /nfs/dbraw/zinc/74/36/03/353743603.db2.gz INTXZGOMZRTJNQ-GUBZILKMSA-N 0 1 293.283 -0.693 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)cn1 ZINC000374243243 353743979 /nfs/dbraw/zinc/74/39/79/353743979.db2.gz INTXZGOMZRTJNQ-LPEHRKFASA-N 0 1 293.283 -0.693 20 5 CBBDMN O=C(N[C@H]1CCC(=O)NC12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000374651466 353747693 /nfs/dbraw/zinc/74/76/93/353747693.db2.gz AVZLQNFSLNVPAB-VGMNWLOBSA-N 0 1 267.285 -0.031 20 5 CBBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408071590 353843684 /nfs/dbraw/zinc/84/36/84/353843684.db2.gz OBBLRIXXDNAFCG-DTWKUNHWSA-N 0 1 282.304 -0.263 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000408131004 353855288 /nfs/dbraw/zinc/85/52/88/353855288.db2.gz DHNSSQHJQYBEPN-UHFFFAOYSA-N 0 1 253.218 -0.502 20 5 CBBDMN O=C(Cc1nn[nH]n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000408502130 353926419 /nfs/dbraw/zinc/92/64/19/353926419.db2.gz RZBHGIZGMXITLG-UHFFFAOYSA-N 0 1 262.229 -0.033 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000573373848 354911061 /nfs/dbraw/zinc/91/10/61/354911061.db2.gz LLTBYCBDBLNFAZ-UHFFFAOYSA-N 0 1 281.272 -0.172 20 5 CBBDMN O=C(CNC(CO)CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000573813557 354921737 /nfs/dbraw/zinc/92/17/37/354921737.db2.gz VBTAVUNZAXUAQE-UHFFFAOYSA-N 0 1 295.295 -0.573 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](O)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195155 355139166 /nfs/dbraw/zinc/13/91/66/355139166.db2.gz JKKBIOBMKWRSQW-KOLCDFICSA-N 0 1 298.299 -0.353 20 5 CBBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)CO)nc1 ZINC000593578623 355210578 /nfs/dbraw/zinc/21/05/78/355210578.db2.gz OKYRFBYXXYSICN-UHFFFAOYSA-N 0 1 297.239 -0.104 20 5 CBBDMN COC[C@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000593066351 355191439 /nfs/dbraw/zinc/19/14/39/355191439.db2.gz MJPLBPZSCVIXBW-MWLCHTKSSA-N 0 1 270.289 -0.127 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1[N+](=O)[O-] ZINC000593865027 355223604 /nfs/dbraw/zinc/22/36/04/355223604.db2.gz BEFGRPWNCRQRSY-LUGKMBOVSA-N 0 1 284.297 -0.028 20 5 CBBDMN O=C(NCC[C@@]1(O)CCCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000593881536 355225300 /nfs/dbraw/zinc/22/53/00/355225300.db2.gz JCSIHSXYWZIIKS-NSHDSACASA-N 0 1 284.272 -0.021 20 5 CBBDMN O=C([O-])C12CC(C1)C[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594734188 355259556 /nfs/dbraw/zinc/25/95/56/355259556.db2.gz RQIOVJRCIKCTEU-BSTRBVHOSA-N 0 1 296.283 -0.299 20 5 CBBDMN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105428 355464485 /nfs/dbraw/zinc/46/44/85/355464485.db2.gz CIKNWYGEQGSNTG-RITPCOANSA-N 0 1 277.306 -0.658 20 5 CBBDMN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098703 355464509 /nfs/dbraw/zinc/46/45/09/355464509.db2.gz YPPGHXXMGDFKQD-ZETCQYMHSA-N 0 1 291.333 -0.410 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)n1 ZINC000599101516 355464514 /nfs/dbraw/zinc/46/45/14/355464514.db2.gz QMTUPKCBCPHAPM-SECBINFHSA-N 0 1 289.317 -0.641 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCO2)n1 ZINC000599203733 355472536 /nfs/dbraw/zinc/47/25/36/355472536.db2.gz OZTZIFTUPCVASM-SSDOTTSWSA-N 0 1 290.301 -0.214 20 5 CBBDMN CCOCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599221399 355472870 /nfs/dbraw/zinc/47/28/70/355472870.db2.gz WVJOIVPWCLHXJQ-UHFFFAOYSA-N 0 1 278.290 -0.357 20 5 CBBDMN CC[C@@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599239054 355473775 /nfs/dbraw/zinc/47/37/75/355473775.db2.gz MYKVZCHVXJKGTN-LURJTMIESA-N 0 1 278.290 -0.623 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)O)n1 ZINC000599242933 355473903 /nfs/dbraw/zinc/47/39/03/355473903.db2.gz DQGNTYLPILHZKY-UHFFFAOYSA-N 0 1 278.290 -0.623 20 5 CBBDMN C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000599320776 355479846 /nfs/dbraw/zinc/47/98/46/355479846.db2.gz GARZTGVDWBRRID-ZETCQYMHSA-N 0 1 291.333 -0.443 20 5 CBBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 ZINC000599339032 355480925 /nfs/dbraw/zinc/48/09/25/355480925.db2.gz DTZRIILLUSFETR-RQJHMYQMSA-N 0 1 290.301 -0.216 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC/C=C/CO)n1 ZINC000599339312 355481224 /nfs/dbraw/zinc/48/12/24/355481224.db2.gz MZJTUJZXLPPGLH-NSCUHMNNSA-N 0 1 276.274 -0.845 20 5 CBBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600536357 355556630 /nfs/dbraw/zinc/55/66/30/355556630.db2.gz SGQAGRXKYQSDHT-SECBINFHSA-N 0 1 296.283 -0.508 20 5 CBBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600536357 355556635 /nfs/dbraw/zinc/55/66/35/355556635.db2.gz SGQAGRXKYQSDHT-SECBINFHSA-N 0 1 296.283 -0.508 20 5 CBBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000600807475 355566683 /nfs/dbraw/zinc/56/66/83/355566683.db2.gz HPSVCSDIFGLSFQ-QMMMGPOBSA-N 0 1 268.273 -0.281 20 5 CBBDMN CNC(=O)[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602699813 355667874 /nfs/dbraw/zinc/66/78/74/355667874.db2.gz RQTXEGVWRFDJRC-MRVPVSSYSA-N 0 1 267.289 -0.104 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000609531296 355769935 /nfs/dbraw/zinc/76/99/35/355769935.db2.gz NJQSGJQSFRSCAK-LLVKDONJSA-N 0 1 295.343 -0.091 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C)CCN1C ZINC000609531299 355770307 /nfs/dbraw/zinc/77/03/07/355770307.db2.gz NJQSGJQSFRSCAK-NSHDSACASA-N 0 1 295.343 -0.091 20 5 CBBDMN COc1ccc(CC(=O)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000609532895 355770615 /nfs/dbraw/zinc/77/06/15/355770615.db2.gz SGNVFVVHDYHFLN-UHFFFAOYSA-N 0 1 292.255 -0.025 20 5 CBBDMN CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCN2C1=O ZINC000370221122 535436403 /nfs/dbraw/zinc/43/64/03/535436403.db2.gz SMDXNBYRLYRLRM-CIUDSAMLSA-N 0 1 296.283 -0.854 20 5 CBBDMN NC(=O)[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341748476 216088293 /nfs/dbraw/zinc/08/82/93/216088293.db2.gz QYVOIZOKXWHFBO-QMMMGPOBSA-N 0 1 293.239 -0.953 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1c1nc[nH]n1 ZINC000375293590 296073479 /nfs/dbraw/zinc/07/34/79/296073479.db2.gz SWJCEKDUUQCFLI-PRJMDXOYSA-N 0 1 267.245 -0.630 20 5 CBBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC[C@H]1c1nnc[nH]1 ZINC000375293590 296073481 /nfs/dbraw/zinc/07/34/81/296073481.db2.gz SWJCEKDUUQCFLI-PRJMDXOYSA-N 0 1 267.245 -0.630 20 5 CBBDMN COCCN1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000330588365 203007995 /nfs/dbraw/zinc/00/79/95/203007995.db2.gz YPTNLUSBWOLVGR-VIFPVBQESA-N 0 1 297.315 -0.221 20 5 CBBDMN CC(C)N1C(=O)C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000343993945 217008366 /nfs/dbraw/zinc/00/83/66/217008366.db2.gz AJRISNKZLNBLHC-ZCFIWIBFSA-N 0 1 295.255 -0.416 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N(C)CC(N)=O)c1[N+](=O)[O-] ZINC000269376002 372917769 /nfs/dbraw/zinc/91/77/69/372917769.db2.gz NPJFAEJSYOAUPK-UHFFFAOYSA-N 0 1 269.261 -0.001 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000360738719 373231454 /nfs/dbraw/zinc/23/14/54/373231454.db2.gz LAMFZQMDXKCTCC-RGOKHQFPSA-N 0 1 286.284 -0.169 20 5 CBBDMN NC(=O)c1[nH]nnc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000362421961 373408602 /nfs/dbraw/zinc/40/86/02/373408602.db2.gz WAHFFIOOFMJCOW-UHFFFAOYSA-N 0 1 290.239 -0.007 20 5 CBBDMN COC(=O)[C@@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000362425546 373410778 /nfs/dbraw/zinc/41/07/78/373410778.db2.gz ZYFUATDGJJNCBO-LBPRGKRZSA-N 0 1 298.251 -0.046 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000365347674 373523168 /nfs/dbraw/zinc/52/31/68/373523168.db2.gz JYMIXQNZRJJHPM-VGMNWLOBSA-N 0 1 276.314 -0.455 20 5 CBBDMN COC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363342487 373487261 /nfs/dbraw/zinc/48/72/61/373487261.db2.gz CYMPIALIWRENCC-NXEZZACHSA-N 0 1 285.300 -0.641 20 5 CBBDMN Cn1cc([C@@H](CO)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000494803999 373742558 /nfs/dbraw/zinc/74/25/58/373742558.db2.gz ABKQHVXUTRAURO-SNVBAGLBSA-N 0 1 280.288 -0.152 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000561784838 374302236 /nfs/dbraw/zinc/30/22/36/374302236.db2.gz NAQOLDHVJGWQRK-CMPLNLGQSA-N 0 1 297.311 -0.568 20 5 CBBDMN CC[C@@H]1C(=O)NCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264473557 190112609 /nfs/dbraw/zinc/11/26/09/190112609.db2.gz UYBSNYIAVMHXJZ-SSDOTTSWSA-N 0 1 281.272 -0.023 20 5 CBBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[nH]1 ZINC000086507448 248161916 /nfs/dbraw/zinc/16/19/16/248161916.db2.gz XJOCIPOEXZTIIJ-UHFFFAOYSA-N 0 1 264.201 -0.038 20 5 CBBDMN O=C(NCCn1ncnn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356799715 248291039 /nfs/dbraw/zinc/29/10/39/248291039.db2.gz HORNJIMMJOQXEG-UHFFFAOYSA-N 0 1 278.228 -0.283 20 5 CBBDMN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356926267 248301052 /nfs/dbraw/zinc/30/10/52/248301052.db2.gz SQLGKBIEJOVXFQ-VHSXEESVSA-N 0 1 294.311 -0.035 20 5 CBBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000278717493 194119035 /nfs/dbraw/zinc/11/90/35/194119035.db2.gz KMLDZBBXBYPQCP-WXHSDQCUSA-N 0 1 298.295 -0.628 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000347508353 218259489 /nfs/dbraw/zinc/25/94/89/218259489.db2.gz AWHOIOOKXPLYIY-HTRCEHHLSA-N 0 1 284.272 -0.152 20 5 CBBDMN NC(=O)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000428018238 208074909 /nfs/dbraw/zinc/07/49/09/208074909.db2.gz STQXBZIBHHWWBV-SNVBAGLBSA-N 0 1 295.251 -0.373 20 5 CBBDMN CCCN(CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000429178612 208114447 /nfs/dbraw/zinc/11/44/47/208114447.db2.gz ULHUGBRHNSEHFC-UHFFFAOYSA-N 0 1 255.278 -0.011 20 5 CBBDMN CCCN(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429180426 208114556 /nfs/dbraw/zinc/11/45/56/208114556.db2.gz XZTOQLUODGPZSO-SNVBAGLBSA-N 0 1 285.304 -0.651 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000285317608 196250035 /nfs/dbraw/zinc/25/00/35/196250035.db2.gz IQVGHTBOALCFOT-UHFFFAOYSA-N 0 1 265.233 -0.283 20 5 CBBDMN CN1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000285751239 196387433 /nfs/dbraw/zinc/38/74/33/196387433.db2.gz LMHDYKWURQAWEF-VHSXEESVSA-N 0 1 295.299 -0.137 20 5 CBBDMN Cn1c(C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000044929399 419432670 /nfs/dbraw/zinc/43/26/70/419432670.db2.gz MXHWPIDVJHYVFQ-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN O=C(COc1ccccc1[N+](=O)[O-])NCc1nn[nH]n1 ZINC000044927503 419436500 /nfs/dbraw/zinc/43/65/00/419436500.db2.gz NHSQSUSEISJGDP-UHFFFAOYSA-N 0 1 278.228 -0.197 20 5 CBBDMN O=C(NCCNc1cnccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000343238078 419755089 /nfs/dbraw/zinc/75/50/89/419755089.db2.gz ZNAVTURKJQRKBQ-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000360272070 420014197 /nfs/dbraw/zinc/01/41/97/420014197.db2.gz XNAATQSBYJGEIT-HRDYMLBCSA-N 0 1 265.273 -0.317 20 5 CBBDMN Cc1noc([C@@H]2COCCN2C(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000364301130 420033147 /nfs/dbraw/zinc/03/31/47/420033147.db2.gz CPYRMIQESVANAL-YIZRAAEISA-N 0 1 282.256 -0.057 20 5 CBBDMN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000365272899 420059339 /nfs/dbraw/zinc/05/93/39/420059339.db2.gz MZGCBJOQBQPHJG-HLTSFMKQSA-N 0 1 291.329 -0.808 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000365328999 420061923 /nfs/dbraw/zinc/06/19/23/420061923.db2.gz GYTMWSDSPKHKGT-FFCQEHLASA-N 0 1 260.315 -0.121 20 5 CBBDMN COCC[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368283224 420127566 /nfs/dbraw/zinc/12/75/66/420127566.db2.gz WRGDRDWTDNDBPZ-KXUCPTDWSA-N 0 1 258.274 -0.085 20 5 CBBDMN O=C(N[C@@H]1CCCn2ncnc21)[C@@H]1CC1[N+](=O)[O-] ZINC000365917356 420070881 /nfs/dbraw/zinc/07/08/81/420070881.db2.gz BXLNWTUDSYBQCQ-BWZBUEFSSA-N 0 1 251.246 -0.106 20 5 CBBDMN COCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000366034648 420075835 /nfs/dbraw/zinc/07/58/35/420075835.db2.gz XUYIKDQRCQVZJS-VGMNWLOBSA-N 0 1 295.299 -0.479 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(Nc2cccnn2)CC1 ZINC000373955057 420190390 /nfs/dbraw/zinc/19/03/90/420190390.db2.gz UDIJVLOBXHRQEW-QWRGUYRKSA-N 0 1 291.311 0.545 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000370242261 420175783 /nfs/dbraw/zinc/17/57/83/420175783.db2.gz ICGBXHDIFCXYNH-DCAQKATOSA-N 0 1 280.284 -0.015 20 5 CBBDMN CN(Cc1n[nH]c(=O)o1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000425286857 420263048 /nfs/dbraw/zinc/26/30/48/420263048.db2.gz VBUJTEYPAWROAP-UHFFFAOYSA-N 0 1 267.205 -0.308 20 5 CBBDMN COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000519681783 420386688 /nfs/dbraw/zinc/38/66/88/420386688.db2.gz SDEFGUIXBDRENM-UHFFFAOYSA-N 0 1 272.261 -0.176 20 5 CBBDMN CNc1nccc(C(=O)N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000553577420 420428314 /nfs/dbraw/zinc/42/83/14/420428314.db2.gz BABMZKOSKJFDIZ-UHFFFAOYSA-N 0 1 291.271 0.422 20 5 CBBDMN CNc1nccc(C(=O)NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000577864980 420465552 /nfs/dbraw/zinc/46/55/52/420465552.db2.gz ZYOYXWVJHDQNOR-UHFFFAOYSA-N 0 1 291.271 0.122 20 5 CBBDMN Cc1nnc2n1CCN(C(=O)[C@H]1CC1[N+](=O)[O-])C2 ZINC000365331114 279237925 /nfs/dbraw/zinc/23/79/25/279237925.db2.gz ZQHLPFTUHGCZSV-JGVFFNPUSA-N 0 1 251.246 -0.406 20 5 CBBDMN O=C1C[C@@H](NCCO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570859725 327627894 /nfs/dbraw/zinc/62/78/94/327627894.db2.gz FPUMAARBZLHSCZ-SNVBAGLBSA-N 0 1 279.252 -0.191 20 5 CBBDMN Cn1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000213173345 326899897 /nfs/dbraw/zinc/89/98/97/326899897.db2.gz MQQVBMFVDPOWGC-LLVKDONJSA-N 0 1 280.288 -0.325 20 5 CBBDMN C[NH+](C)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000560633299 327332803 /nfs/dbraw/zinc/33/28/03/327332803.db2.gz CFMHABDKEYNWGI-UWVGGRQHSA-N 0 1 296.283 -0.558 20 5 CBBDMN CO[C@@H]1C[C@@H](C(=O)[O-])[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000574697361 327366809 /nfs/dbraw/zinc/36/68/09/327366809.db2.gz RACPAJKPNWTRFX-ZJUUUORDSA-N 0 1 284.272 -0.035 20 5 CBBDMN C[C@H]1CNCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000569843866 327551658 /nfs/dbraw/zinc/55/16/58/327551658.db2.gz XBYVXMLBXCZKOT-ZETCQYMHSA-N 0 1 253.262 -0.238 20 5 CBBDMN COCCN1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000564188825 333240626 /nfs/dbraw/zinc/24/06/26/333240626.db2.gz PUQHZCLKJOXOKF-QMMMGPOBSA-N 0 1 283.288 -0.232 20 5 CBBDMN C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H]1O ZINC000576656624 335231986 /nfs/dbraw/zinc/23/19/86/335231986.db2.gz SVVIZACBMRRLTH-UWVGGRQHSA-N 0 1 296.283 -0.558 20 5 CBBDMN CCOC(=O)COCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783802 583160074 /nfs/dbraw/zinc/16/00/74/583160074.db2.gz VRTCZCDIXAPEJH-HTQZYQBOSA-N 0 1 260.246 -0.653 20 5 CBBDMN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000106630319 582113793 /nfs/dbraw/zinc/11/37/93/582113793.db2.gz KJNJSRXSYXDJDO-JQCXWYLXSA-N 0 1 255.274 -0.236 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCCNC(=O)C2)c1[N+](=O)[O-] ZINC000731809698 582154203 /nfs/dbraw/zinc/15/42/03/582154203.db2.gz BAJSESYVHASXBG-UHFFFAOYSA-N 0 1 281.272 -0.158 20 5 CBBDMN Cc1nonc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764283885 582322962 /nfs/dbraw/zinc/32/29/62/582322962.db2.gz WUNDZGNAZFXFLA-UHFFFAOYSA-N 0 1 252.190 -0.061 20 5 CBBDMN CN1C(=O)CN(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000780698368 582364495 /nfs/dbraw/zinc/36/44/95/582364495.db2.gz ZODOFJKKQXKTAG-UHFFFAOYSA-N 0 1 294.223 -0.161 20 5 CBBDMN NC(=O)c1cn(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)nn1 ZINC000805945170 582435824 /nfs/dbraw/zinc/43/58/24/582435824.db2.gz IVWHNCONNJCXOP-UHFFFAOYSA-N 0 1 294.227 -0.530 20 5 CBBDMN O=C([O-])[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819240063 582529592 /nfs/dbraw/zinc/52/95/92/582529592.db2.gz GWEMNWRLLBZVFZ-VHSXEESVSA-N 0 1 284.272 -0.299 20 5 CBBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819281563 582531056 /nfs/dbraw/zinc/53/10/56/582531056.db2.gz WHAGJLWIFHXFLF-SCZZXKLOSA-N 0 1 284.272 -0.441 20 5 CBBDMN CC(C)[N@H+](CC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000820015361 582547837 /nfs/dbraw/zinc/54/78/37/582547837.db2.gz NRBFJLFEUKTQFA-JTQLQIEISA-N 0 1 286.288 -0.053 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CC(F)(F)CO)CC1 ZINC000824275825 582692025 /nfs/dbraw/zinc/69/20/25/582692025.db2.gz RRIKRSCSQBFDGM-RKDXNWHRSA-N 0 1 293.270 -0.577 20 5 CBBDMN CC[N@@H+](CCC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000829701762 582895434 /nfs/dbraw/zinc/89/54/34/582895434.db2.gz OEAVMCLETNBMCT-JTQLQIEISA-N 0 1 286.288 -0.051 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCN1C ZINC000830136453 582921959 /nfs/dbraw/zinc/92/19/59/582921959.db2.gz XZPUZTWHXUEIJR-SECBINFHSA-N 0 1 267.289 -0.080 20 5 CBBDMN C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)[O-] ZINC000830713514 582938324 /nfs/dbraw/zinc/93/83/24/582938324.db2.gz HCKAMYKEJSCDIS-VIFPVBQESA-N 0 1 286.288 -0.053 20 5 CBBDMN CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839528343 583156290 /nfs/dbraw/zinc/15/62/90/583156290.db2.gz QLBVOSUOQITRLH-DJLDLDEBSA-N 0 1 291.329 -0.808 20 5 CBBDMN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839529490 583156348 /nfs/dbraw/zinc/15/63/48/583156348.db2.gz RSILWLYSKMJWFV-RKDXNWHRSA-N 0 1 293.345 -0.561 20 5 CBBDMN COC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839627412 583156832 /nfs/dbraw/zinc/15/68/32/583156832.db2.gz OJJWDDQWLOQSDR-IWSPIJDZSA-N 0 1 271.273 -0.001 20 5 CBBDMN C[C@H]1COCCN1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839654575 583157117 /nfs/dbraw/zinc/15/71/17/583157117.db2.gz MPPNBZZEPRRTFV-IVZWLZJFSA-N 0 1 257.290 -0.512 20 5 CBBDMN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839690068 583157820 /nfs/dbraw/zinc/15/78/20/583157820.db2.gz BYSUMVZOLJGKIQ-IWSPIJDZSA-N 0 1 272.257 -0.558 20 5 CBBDMN COC(=O)C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839702565 583158020 /nfs/dbraw/zinc/15/80/20/583158020.db2.gz YCWLEPIALSQAEF-DJLDLDEBSA-N 0 1 272.257 -0.558 20 5 CBBDMN COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839695644 583158029 /nfs/dbraw/zinc/15/80/29/583158029.db2.gz JRIXRTACSSZLDT-GMTAPVOTSA-N 0 1 299.327 -0.253 20 5 CBBDMN COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839696320 583158203 /nfs/dbraw/zinc/15/82/03/583158203.db2.gz QJBSXWDVWPWMKD-BRDIYROLSA-N 0 1 260.221 -0.235 20 5 CBBDMN COCCN(CC(=O)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714751 583158327 /nfs/dbraw/zinc/15/83/27/583158327.db2.gz IDUNPCJZJAVANR-HTQZYQBOSA-N 0 1 260.246 -0.700 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ncc(F)cn2)CC1 ZINC000839724740 583158371 /nfs/dbraw/zinc/15/83/71/583158371.db2.gz CGEJZPODFUPJMR-NXEZZACHSA-N 0 1 295.274 -0.071 20 5 CBBDMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC000839746838 583159338 /nfs/dbraw/zinc/15/93/38/583159338.db2.gz MMBDPRQQONEHPJ-IVZWLZJFSA-N 0 1 258.274 -0.085 20 5 CBBDMN COCC[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839775690 583159594 /nfs/dbraw/zinc/15/95/94/583159594.db2.gz WRGDRDWTDNDBPZ-IVZWLZJFSA-N 0 1 258.274 -0.085 20 5 CBBDMN CO[C@H]1COCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783665 583160044 /nfs/dbraw/zinc/16/00/44/583160044.db2.gz JZDXGELBDKKLQV-JLIMGVALSA-N 0 1 258.274 -0.181 20 5 CBBDMN CNC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000840309543 583163871 /nfs/dbraw/zinc/16/38/71/583163871.db2.gz KRBLMEAJQVKRJM-HTQZYQBOSA-N 0 1 255.274 -0.173 20 5 CBBDMN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840378245 583164510 /nfs/dbraw/zinc/16/45/10/583164510.db2.gz CKYXTOAKPWOBBZ-FNCVBFRFSA-N 0 1 255.274 -0.188 20 5 CBBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000840425526 583164896 /nfs/dbraw/zinc/16/48/96/583164896.db2.gz AOBOFLQREYNIGG-FNCVBFRFSA-N 0 1 255.274 -0.236 20 5 CBBDMN COC(=O)C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCOC1 ZINC000840425180 583164960 /nfs/dbraw/zinc/16/49/60/583164960.db2.gz WOWBNHQIZBPART-LNLATYFQSA-N 0 1 286.284 -0.120 20 5 CBBDMN CN(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840475036 583165541 /nfs/dbraw/zinc/16/55/41/583165541.db2.gz RQIVFANPEVQLCJ-IVZWLZJFSA-N 0 1 284.316 -0.086 20 5 CBBDMN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840669883 583166342 /nfs/dbraw/zinc/16/63/42/583166342.db2.gz MOGNCEPYICVCTM-RKDXNWHRSA-N 0 1 297.223 -0.035 20 5 CBBDMN COC(=O)C(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672906 583166665 /nfs/dbraw/zinc/16/66/65/583166665.db2.gz FGSISURCJLWNLL-RNFRBKRXSA-N 0 1 259.214 -0.283 20 5 CBBDMN O=C(NN1C(=O)c2ccccc2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841002488 583168430 /nfs/dbraw/zinc/16/84/30/583168430.db2.gz VGYNQYDEZSJBTR-RKDXNWHRSA-N 0 1 275.220 -0.021 20 5 CBBDMN O=C(CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)NCCO ZINC000843070589 583199623 /nfs/dbraw/zinc/19/96/23/583199623.db2.gz DMLZSFYTOPZWER-LLVKDONJSA-N 0 1 283.284 -0.674 20 5 CBBDMN Cn1ccc(NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000844144033 583254787 /nfs/dbraw/zinc/25/47/87/583254787.db2.gz OCEILMLXWVZEFD-HTQZYQBOSA-N 0 1 253.262 -0.387 20 5 CBBDMN Cc1cc(NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n(C)n1 ZINC000846644331 583378925 /nfs/dbraw/zinc/37/89/25/583378925.db2.gz UZTBYVBSFANPCP-RKDXNWHRSA-N 0 1 267.289 -0.078 20 5 CBBDMN O=C(OCc1nc2ncccn2n1)[C@@H]1CC1[N+](=O)[O-] ZINC000847903310 583418764 /nfs/dbraw/zinc/41/87/64/583418764.db2.gz CWZGLKUIVIAKTK-RNFRBKRXSA-N 0 1 263.213 -0.167 20 5 CBBDMN Cn1nccc1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848765713 583459464 /nfs/dbraw/zinc/45/94/64/583459464.db2.gz HEGBYUXQGZJNTE-HTRCEHHLSA-N 0 1 253.214 -0.189 20 5 CBBDMN CC(C)N(CCOCCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854387956 583601298 /nfs/dbraw/zinc/60/12/98/583601298.db2.gz QWHPMOHBOJVSCQ-NXEZZACHSA-N 0 1 260.290 -0.103 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ncns2)CC1 ZINC000854816037 583624034 /nfs/dbraw/zinc/62/40/34/583624034.db2.gz HUTISIUHSWQOKJ-HTQZYQBOSA-N 0 1 283.313 -0.148 20 5 CBBDMN CO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC000855206372 583635214 /nfs/dbraw/zinc/63/52/14/583635214.db2.gz HBONQXFTNHJHBE-JLIMGVALSA-N 0 1 258.274 -0.181 20 5 CBBDMN CO[C@@]1(CO)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855440593 583639689 /nfs/dbraw/zinc/63/96/89/583639689.db2.gz MXGILQNJCINGHS-KKZNHRDASA-N 0 1 258.274 -0.349 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000855676972 583646872 /nfs/dbraw/zinc/64/68/72/583646872.db2.gz MQPQOIZAKIGRHC-DOLQZWNJSA-N 0 1 267.285 -0.221 20 5 CBBDMN C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1(=O)=O ZINC000855704343 583648030 /nfs/dbraw/zinc/64/80/30/583648030.db2.gz UPDXVUKFWVBZRG-JQCXWYLXSA-N 0 1 276.314 -0.267 20 5 CBBDMN CON(C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859215920 583711164 /nfs/dbraw/zinc/71/11/64/583711164.db2.gz BHFCAGPBBZBSAN-UHFFFAOYSA-N 0 1 293.305 -0.900 20 5 CBBDMN CCn1ncc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000862382412 583804975 /nfs/dbraw/zinc/80/49/75/583804975.db2.gz UCGRCQBIKFQMIJ-UHFFFAOYSA-N 0 1 265.233 -0.141 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000863319726 583837466 /nfs/dbraw/zinc/83/74/66/583837466.db2.gz FGBUOEXPMTVGOH-SECBINFHSA-N 0 1 295.299 -0.632 20 5 CBBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000863321518 583837990 /nfs/dbraw/zinc/83/79/90/583837990.db2.gz YINWSPCGXAWFRB-SNVBAGLBSA-N 0 1 294.311 -0.027 20 5 CBBDMN COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869993788 584006464 /nfs/dbraw/zinc/00/64/64/584006464.db2.gz YUHOSVFOANMPMG-FNOROQBZSA-N 0 1 286.284 -0.169 20 5 CBBDMN CO[C@@H]1COCC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882373867 584316265 /nfs/dbraw/zinc/31/62/65/584316265.db2.gz CDLRPPDXEANKBE-ZYUZMQFOSA-N 0 1 258.274 -0.086 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000887908618 584476457 /nfs/dbraw/zinc/47/64/57/584476457.db2.gz YAWVWHMLSVBWBS-BZNPZCIMSA-N 0 1 274.298 -0.845 20 5 CBBDMN COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CN1C ZINC000893574569 584642609 /nfs/dbraw/zinc/64/26/09/584642609.db2.gz KZVUVLDPFXIIEB-HAYRHPOISA-N 0 1 286.284 -0.169 20 5 CBBDMN CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973756484 614966908 /nfs/dbraw/zinc/96/69/08/614966908.db2.gz DAHAYRHDSLMSAL-BZNPZCIMSA-N 0 1 255.274 -0.175 20 5 CBBDMN CN(C(=O)C(C)(F)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953520898 615768399 /nfs/dbraw/zinc/76/83/99/615768399.db2.gz FFVNXNXAPLZXFP-HTQZYQBOSA-N 0 1 291.254 -0.024 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCC1 ZINC000935045010 659816339 /nfs/dbraw/zinc/81/63/39/659816339.db2.gz CSRXSXJQIYSFCT-UHFFFAOYSA-N 0 1 267.289 -0.078 20 5 CBBDMN O=[N+]([O-])c1ccc([C@H](O)CN(CCO)CCO)cc1 ZINC000062350980 656033550 /nfs/dbraw/zinc/03/35/50/656033550.db2.gz AEUKUVROASZEFX-GFCCVEGCSA-N 0 1 270.285 -0.085 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001001022374 656787490 /nfs/dbraw/zinc/78/74/90/656787490.db2.gz IICXFRRWKVLGEF-NXEZZACHSA-N 0 1 293.283 -0.737 20 5 CBBDMN CC1(C)CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000909394434 656809864 /nfs/dbraw/zinc/80/98/64/656809864.db2.gz GWIBROQPIWEAMC-RKDXNWHRSA-N 0 1 286.284 -0.168 20 5 CBBDMN CC(C)(O)CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001809637 656821915 /nfs/dbraw/zinc/82/19/15/656821915.db2.gz YJQZPQCOTVJRRL-NXEZZACHSA-N 0 1 299.327 -0.613 20 5 CBBDMN O=C(NCC1CN(C(=O)C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001805898 656821934 /nfs/dbraw/zinc/82/19/34/656821934.db2.gz LIODUFSSTAQJKN-RNFRBKRXSA-N 0 1 277.227 -0.509 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001002420731 656832140 /nfs/dbraw/zinc/83/21/40/656832140.db2.gz FTRXKFTYAVEJGP-GHMZBOCLSA-N 0 1 292.295 -0.132 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnco1 ZINC001003374845 656856246 /nfs/dbraw/zinc/85/62/46/656856246.db2.gz ZLKWPMREWBOPBX-RKDXNWHRSA-N 0 1 294.267 -0.472 20 5 CBBDMN CC(C)(O)CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011063810 657255612 /nfs/dbraw/zinc/25/56/12/657255612.db2.gz QEOAZJBRUZVGFX-NXEZZACHSA-N 0 1 299.327 -0.517 20 5 CBBDMN CNC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544147 657767252 /nfs/dbraw/zinc/76/72/52/657767252.db2.gz MBKKMYSTZJYHKW-LMLFDSFASA-N 0 1 296.327 -0.927 20 5 CBBDMN CN1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000928567520 659048516 /nfs/dbraw/zinc/04/85/16/659048516.db2.gz QBBKNRPBJOXJFC-MRVPVSSYSA-N 0 1 253.262 -0.388 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000973780466 659151986 /nfs/dbraw/zinc/15/19/86/659151986.db2.gz VPRFSMMBLWQDCQ-UTINFBMNSA-N 0 1 267.285 -0.175 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnon1 ZINC000974114969 659162325 /nfs/dbraw/zinc/16/23/25/659162325.db2.gz LWPIRTQHDWARFU-JVZYCSMKSA-N 0 1 295.255 -0.888 20 5 CBBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)C1CC1 ZINC000976016450 659179529 /nfs/dbraw/zinc/17/95/29/659179529.db2.gz MWCGDACGTRFPBF-NZFPMDFQSA-N 0 1 279.296 -0.365 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000931404433 659453821 /nfs/dbraw/zinc/45/38/21/659453821.db2.gz ZDEWHSUTSYTFIR-LLVKDONJSA-N 0 1 269.305 -0.600 20 5 CBBDMN Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC000990221517 659700315 /nfs/dbraw/zinc/70/03/15/659700315.db2.gz MJFWBZLEGLMCOY-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cncs1 ZINC000990369727 659732698 /nfs/dbraw/zinc/73/26/98/659732698.db2.gz XEXCJDHOEHSNPC-HTQZYQBOSA-N 0 1 296.308 -0.251 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1=COCCC1 ZINC000990431098 659740114 /nfs/dbraw/zinc/74/01/14/659740114.db2.gz JTGQCEGZWOKHDU-GHMZBOCLSA-N 0 1 295.295 -0.327 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccn[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991279168 659829800 /nfs/dbraw/zinc/82/98/00/659829800.db2.gz JKGBQJFLXFWCRG-VXNVDRBHSA-N 0 1 279.256 -0.985 20 5 CBBDMN O=C(NC1CN(C(=O)c2cc[nH]n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991279168 659829801 /nfs/dbraw/zinc/82/98/01/659829801.db2.gz JKGBQJFLXFWCRG-VXNVDRBHSA-N 0 1 279.256 -0.985 20 5 CBBDMN CSCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279396 659829855 /nfs/dbraw/zinc/82/98/55/659829855.db2.gz LEFFHJRZCYKMAX-HTQZYQBOSA-N 0 1 273.314 -0.658 20 5 CBBDMN O=C(CC1CC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279493 659829872 /nfs/dbraw/zinc/82/98/72/659829872.db2.gz LVRPKHGPAXZKBD-NXEZZACHSA-N 0 1 267.285 -0.221 20 5 CBBDMN Cc1c[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991290667 659830339 /nfs/dbraw/zinc/83/03/39/659830339.db2.gz NFLYJKHGEOGIJY-MWLCHTKSSA-N 0 1 292.295 -0.071 20 5 CBBDMN Nc1nc(N2CCC[N@@H+](CC(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000738453412 790821092 /nfs/dbraw/zinc/82/10/92/790821092.db2.gz IQLMVCQVTYWETP-UHFFFAOYSA-N 0 1 296.287 -0.436 20 5 CBBDMN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CO ZINC000828724128 790890982 /nfs/dbraw/zinc/89/09/82/790890982.db2.gz FHOMOAMISCFTQT-LBPRGKRZSA-N 0 1 296.327 -0.635 20 5 CBBDMN Cn1cncc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662089 799530539 /nfs/dbraw/zinc/53/05/39/799530539.db2.gz UMOZOTFFDOTXRT-VXGBXAGGSA-N 0 1 293.327 -0.367 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cncn2C)C1 ZINC001042705426 801511433 /nfs/dbraw/zinc/51/14/33/801511433.db2.gz QCUKJWRBWUXRLA-VXGBXAGGSA-N 0 1 293.327 -0.272 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCn2cccn2)C1 ZINC001042711118 801511897 /nfs/dbraw/zinc/51/18/97/801511897.db2.gz QXWFINGRKVLGPU-VXGBXAGGSA-N 0 1 293.327 -0.309 20 5 CBBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@H]1CO ZINC001122125184 813121336 /nfs/dbraw/zinc/12/13/36/813121336.db2.gz YRQBMBUFIQIWFP-LBPRGKRZSA-N 0 1 279.296 -0.070 20 5 CBBDMN Cc1n[nH]c(C(=O)NCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001321573256 803786163 /nfs/dbraw/zinc/78/61/63/803786163.db2.gz GCGJQOSUVGGGLZ-UHFFFAOYSA-N 0 1 296.331 -0.396 20 5 CBBDMN O=C(NCCCc1c[nH][nH]c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001149263762 814979525 /nfs/dbraw/zinc/97/95/25/814979525.db2.gz XMVAZTXHRFFLEV-BWZBUEFSSA-N 0 1 254.246 -0.720 20 5 CBBDMN C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001323197906 803989035 /nfs/dbraw/zinc/98/90/35/803989035.db2.gz UIAAZYKFECWGGQ-VIFPVBQESA-N 0 1 288.285 -0.375 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3n[nH]nc3C2)c1 ZINC001324453717 804155739 /nfs/dbraw/zinc/15/57/39/804155739.db2.gz WXAVRQDVUUNWCA-SECBINFHSA-N 0 1 293.287 -0.671 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCNC2=O)c1[N+](=O)[O-] ZINC001324502014 804162093 /nfs/dbraw/zinc/16/20/93/804162093.db2.gz JWMFRQBETCNWPP-ZCFIWIBFSA-N 0 1 267.245 -0.413 20 5 CBBDMN CCOCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989658 805030544 /nfs/dbraw/zinc/03/05/44/805030544.db2.gz MEWSDOHWHZHPIY-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114107 805173403 /nfs/dbraw/zinc/17/34/03/805173403.db2.gz BKTMBGRNTNVSFO-NXEZZACHSA-N 0 1 285.300 -0.547 20 5 CBBDMN Cc1ncc(CN)c(=N)n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156824748 815383046 /nfs/dbraw/zinc/38/30/46/815383046.db2.gz AASWSKCHRRZASY-UHFFFAOYSA-N 0 1 276.256 -0.340 20 5 CBBDMN O=C(NCCNc1ccc([N+](=O)[O-])cn1)c1cnn[nH]1 ZINC001094242768 810706200 /nfs/dbraw/zinc/70/62/00/810706200.db2.gz GKGQIACQANYSRG-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN CN(CCNC(=O)c1cnn[nH]1)c1ncccc1[N+](=O)[O-] ZINC001100400933 811054932 /nfs/dbraw/zinc/05/49/32/811054932.db2.gz VRTQLPIHSGCCAF-UHFFFAOYSA-N 0 1 291.271 -0.026 20 5 CBBDMN Cc1nc(Cl)nc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001158074415 815500760 /nfs/dbraw/zinc/50/07/60/815500760.db2.gz DXTDXVDMWFSVGV-UHFFFAOYSA-N 0 1 270.640 -0.219 20 5 CBBDMN O=C(NC[C@@H](O)C1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116413640 812257357 /nfs/dbraw/zinc/25/73/57/812257357.db2.gz RQSRQQKTCAORRA-SECBINFHSA-N 0 1 284.272 -0.165 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001116862442 812325845 /nfs/dbraw/zinc/32/58/45/812325845.db2.gz QAWNMSFLTFWWMB-UHFFFAOYSA-N 0 1 251.206 -0.292 20 5 CBBDMN NC(=O)[C@@]1(NCCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC001118306762 812523005 /nfs/dbraw/zinc/52/30/05/812523005.db2.gz PAAAHLLFBALXRV-SNVBAGLBSA-N 0 1 269.261 -0.975 20 5 CBBDMN Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1COCCN1 ZINC001159044125 815556169 /nfs/dbraw/zinc/55/61/69/815556169.db2.gz POAZMODEBTYJDY-SSDOTTSWSA-N 0 1 253.262 -0.028 20 5 CBBDMN CCn1cc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001126939262 813696441 /nfs/dbraw/zinc/69/64/41/813696441.db2.gz VIJOXFJWGOMWMF-NXEZZACHSA-N 0 1 282.304 -0.831 20 5 CBBDMN NC(=O)Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001129537873 813850379 /nfs/dbraw/zinc/85/03/79/813850379.db2.gz WQLHYZOGFYHHIO-GHMZBOCLSA-N 0 1 277.280 -0.004 20 5 CBBDMN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001131770163 814065489 /nfs/dbraw/zinc/06/54/89/814065489.db2.gz XRPVUQGKGIUPCT-GMTAPVOTSA-N 0 1 297.311 -0.452 20 5 CBBDMN CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001138070819 814599048 /nfs/dbraw/zinc/59/90/48/814599048.db2.gz DAQHAZKGIKKDKS-BRDIYROLSA-N 0 1 260.246 -0.918 20 5 CBBDMN O=C(NCC1(OCCO)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001138747645 814613301 /nfs/dbraw/zinc/61/33/01/814613301.db2.gz MDHBFSQYXONNKD-NXEZZACHSA-N 0 1 288.300 -0.674 20 5 CBBDMN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001147350948 814889526 /nfs/dbraw/zinc/88/95/26/814889526.db2.gz DQDCNLOLHVOGJJ-WCBMZHEXSA-N 0 1 296.331 -0.318 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001161337321 815744942 /nfs/dbraw/zinc/74/49/42/815744942.db2.gz ZNQGARIBMMLKHD-POYBYMJQSA-N 0 1 284.272 -0.695 20 5 CBBDMN Cc1cc(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001292594027 816470772 /nfs/dbraw/zinc/47/07/72/816470772.db2.gz MFKSEROXKHKNJM-NXEZZACHSA-N 0 1 296.283 -0.577 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001296065546 816598560 /nfs/dbraw/zinc/59/85/60/816598560.db2.gz VEBFFGSQPUNWKS-NZFPMDFQSA-N 0 1 297.311 -0.881 20 5 CBBDMN CCc1nc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001298438372 816681919 /nfs/dbraw/zinc/68/19/19/816681919.db2.gz BVIFWPUVCOAFFI-UHFFFAOYSA-N 0 1 279.260 -0.212 20 5 CBBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NC ZINC001299427398 816722890 /nfs/dbraw/zinc/72/28/90/816722890.db2.gz YCJBDSVCLORKEL-YFKPBYRVSA-N 0 1 255.234 -0.428 20 5 CBBDMN CN(C)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001299563892 816728391 /nfs/dbraw/zinc/72/83/91/816728391.db2.gz IISFTGRSDJGIFD-UHFFFAOYSA-N 0 1 294.311 -0.033 20 5 CBBDMN Cc1[nH]nc(C(=O)N2[C@H](CO)CC[C@H]2CO)c1[N+](=O)[O-] ZINC001299977420 816734705 /nfs/dbraw/zinc/73/47/05/816734705.db2.gz SHRXXYSJKKYBKE-YUMQZZPRSA-N 0 1 284.272 -0.416 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCc1nc[nH]n1 ZINC001319096858 817165409 /nfs/dbraw/zinc/16/54/09/817165409.db2.gz ALHXWNDQDVOEOE-UHFFFAOYSA-N 0 1 292.255 -0.767 20 5 CBBDMN Cc1noc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001319598614 817223873 /nfs/dbraw/zinc/22/38/73/817223873.db2.gz JLCNXQKWZUCTBL-UHFFFAOYSA-N 0 1 252.190 -0.061 20 5 CBBDMN COC[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319847902 817246747 /nfs/dbraw/zinc/24/67/47/817246747.db2.gz QGXIBEHJZYHJBC-SECBINFHSA-N 0 1 258.234 -0.555 20 5 CBBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCCC1 ZINC001319830859 817247230 /nfs/dbraw/zinc/24/72/30/817247230.db2.gz RGJIJUDRQDNEBU-UHFFFAOYSA-N 0 1 267.245 -0.330 20 5 CBBDMN O=C(CCc1nc[nH]n1)NCCn1cc([N+](=O)[O-])cn1 ZINC001319840857 817247466 /nfs/dbraw/zinc/24/74/66/817247466.db2.gz OCZTZRIZJZBBKM-UHFFFAOYSA-N 0 1 279.260 -0.342 20 5 CBBDMN C[C@H](Cn1cncn1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319871913 817249699 /nfs/dbraw/zinc/24/96/99/817249699.db2.gz VYAHLIZYPCGBAB-ZCFIWIBFSA-N 0 1 265.233 -0.272 20 5 CBBDMN O=C(N[C@@H]1C=C[C@H](CO)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001320377030 817328953 /nfs/dbraw/zinc/32/89/53/817328953.db2.gz XJWMRCFGVKMKPA-NKWVEPMBSA-N 0 1 252.230 -0.015 20 5 CBBDMN C[C@@H](CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC001320692997 817377367 /nfs/dbraw/zinc/37/73/67/817377367.db2.gz SPEKWMKDYULNNE-LURJTMIESA-N 0 1 294.275 -0.283 20 5 CBBDMN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001321104434 817443820 /nfs/dbraw/zinc/44/38/20/817443820.db2.gz FCXOCQCHKZFUEG-VIFPVBQESA-N 0 1 296.331 -0.316 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2[nH]nnc2C1 ZINC001321436036 817498459 /nfs/dbraw/zinc/49/84/59/817498459.db2.gz ASXWURKJPXNOBX-UHFFFAOYSA-N 0 1 277.244 -0.506 20 5 CBBDMN O=C1NCCN(c2ncc([N+](=O)[O-])cc2Cl)C12CNC2 ZINC001165297856 819950974 /nfs/dbraw/zinc/95/09/74/819950974.db2.gz NCIGRBVJQIOBMC-UHFFFAOYSA-N 0 1 297.702 -0.079 20 5 CBBDMN Cc1nc(N2CCNC(=O)C23CNC3)ccc1[N+](=O)[O-] ZINC001165297359 819951826 /nfs/dbraw/zinc/95/18/26/819951826.db2.gz DXYJGODLSSHLHO-UHFFFAOYSA-N 0 1 277.284 -0.424 20 5 CBBDMN COc1cnc(N2CCNC(=O)C23CNC3)c([N+](=O)[O-])c1 ZINC001165298339 819952326 /nfs/dbraw/zinc/95/23/26/819952326.db2.gz PGROUMQLWSSPIY-UHFFFAOYSA-N 0 1 293.283 -0.723 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1ccc([N+](=O)[O-])c(OC)n1 ZINC001165437059 819962483 /nfs/dbraw/zinc/96/24/83/819962483.db2.gz OTSOYGKWIWSVLI-VIFPVBQESA-N 0 1 296.283 -0.050 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001165438152 819963954 /nfs/dbraw/zinc/96/39/54/819963954.db2.gz FMGNXNQPGDMHAT-VIFPVBQESA-N 0 1 281.272 -0.477 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001165443551 819965092 /nfs/dbraw/zinc/96/50/92/819965092.db2.gz YGYFZMAGTFVIFE-SECBINFHSA-N 0 1 281.272 -0.356 20 5 CBBDMN Cc1ncc(CN)c(=N)n1-c1ncc([N+](=O)[O-])cn1 ZINC001167671565 820110559 /nfs/dbraw/zinc/11/05/59/820110559.db2.gz JAGFZEJXVTWMBD-UHFFFAOYSA-N 0 1 261.245 -0.183 20 5 CBBDMN NC(=O)[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040201 820202318 /nfs/dbraw/zinc/20/23/18/820202318.db2.gz YRALAMBUAXGTTR-GUBZILKMSA-N 0 1 257.290 -0.382 20 5 CBBDMN CC[C@](N)(CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001170858618 820328545 /nfs/dbraw/zinc/32/85/45/820328545.db2.gz LWJGNUQPINILSQ-SNVBAGLBSA-N 0 1 269.261 -0.442 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001171680661 820367343 /nfs/dbraw/zinc/36/73/43/820367343.db2.gz NSHRGQKMODJYPV-MNOVXSKESA-N 0 1 282.252 -0.132 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)c1[N+](=O)[O-] ZINC001181243926 820768036 /nfs/dbraw/zinc/76/80/36/820768036.db2.gz ZCPHRTHUHWTCJA-BDAKNGLRSA-N 0 1 298.299 -0.311 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(Cc2nnc[nH]2)CC1 ZINC001186930155 821204749 /nfs/dbraw/zinc/20/47/49/821204749.db2.gz HQGJFIDPDHSRPD-UHFFFAOYSA-N 0 1 292.303 -0.231 20 5 CBBDMN CC(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280553971 828360666 /nfs/dbraw/zinc/36/06/66/828360666.db2.gz IUTSZHWHDCFVEE-NXEZZACHSA-N 0 1 299.327 -0.613 20 5 CBBDMN Cn1cccc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282912594 828468007 /nfs/dbraw/zinc/46/80/07/828468007.db2.gz KJSJMCJXIWWVMW-PSASIEDQSA-N 0 1 280.284 -0.464 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccns1 ZINC001283005151 828489843 /nfs/dbraw/zinc/48/98/43/828489843.db2.gz QJZWVNCJCQZBEF-RNFRBKRXSA-N 0 1 284.297 -0.346 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1n[nH]cc1F ZINC001283246787 828510652 /nfs/dbraw/zinc/51/06/52/828510652.db2.gz OILBZGQYULMRGT-HTRCEHHLSA-N 0 1 299.262 -0.550 20 5 CBBDMN CC(C)OCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284041226 828565576 /nfs/dbraw/zinc/56/55/76/828565576.db2.gz KFPKMLCQGNXBRL-GWOFURMSSA-N 0 1 299.327 -0.160 20 5 CBBDMN CCCOCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284079434 828567105 /nfs/dbraw/zinc/56/71/05/828567105.db2.gz CNQDKTMAWYNQCX-LMLFDSFASA-N 0 1 299.327 -0.158 20 5 CBBDMN CCOCC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001284734812 828621516 /nfs/dbraw/zinc/62/15/16/828621516.db2.gz YMZYCXPQYAOMMA-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccon1 ZINC001285485092 828662970 /nfs/dbraw/zinc/66/29/70/828662970.db2.gz ARNLODJQVIUMHZ-PGKOWNQPSA-N 0 1 294.267 -0.258 20 5 CBBDMN CN1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1=O ZINC001253863406 825935072 /nfs/dbraw/zinc/93/50/72/825935072.db2.gz HTQHRKQPHZXAAR-LURJTMIESA-N 0 1 267.245 -0.332 20 5 CBBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001253825851 825935309 /nfs/dbraw/zinc/93/53/09/825935309.db2.gz RGOZDGNWLPTURZ-VIFPVBQESA-N 0 1 296.331 -0.316 20 5 CBBDMN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC001261246004 826500401 /nfs/dbraw/zinc/50/04/01/826500401.db2.gz XPMVHTBAQYLOEI-UHNVWZDZSA-N 0 1 254.202 -0.248 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001261818839 826587344 /nfs/dbraw/zinc/58/73/44/826587344.db2.gz JDFYHPIHNGKGGK-IUCAKERBSA-N 0 1 295.299 -0.401 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnon1 ZINC001264985068 826826250 /nfs/dbraw/zinc/82/62/50/826826250.db2.gz LPKMIHDDVRALCT-NXEZZACHSA-N 0 1 283.288 -0.327 20 5 CBBDMN NC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC001265690675 826909331 /nfs/dbraw/zinc/90/93/31/826909331.db2.gz MSTWZUMPSWQTBO-KXUCPTDWSA-N 0 1 285.300 -0.562 20 5 CBBDMN COCCC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001266623562 827033809 /nfs/dbraw/zinc/03/38/09/827033809.db2.gz DIXFXYMPIZJTNM-UHFFFAOYSA-N 0 1 299.331 -0.087 20 5 CBBDMN CCn1nncc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267193853 827125771 /nfs/dbraw/zinc/12/57/71/827125771.db2.gz FBOAILDJZTUESI-GHMZBOCLSA-N 0 1 296.331 -0.489 20 5 CBBDMN Cc1nnc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001267371184 827160450 /nfs/dbraw/zinc/16/04/50/827160450.db2.gz HZKUBYMKPPJIBX-RKDXNWHRSA-N 0 1 283.288 -0.409 20 5 CBBDMN CCN(C)C(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001269786994 827531422 /nfs/dbraw/zinc/53/14/22/827531422.db2.gz CWALYJVMDPZETD-GHMZBOCLSA-N 0 1 298.343 -0.728 20 5 CBBDMN O=C(NCC1(O)CN(CCCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001278862542 828301081 /nfs/dbraw/zinc/30/10/81/828301081.db2.gz AICMBSMASBBMRX-RKDXNWHRSA-N 0 1 275.280 -0.826 20 5 CBBDMN O=C(NC1(C(F)F)OCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC001279182200 828318421 /nfs/dbraw/zinc/31/84/21/828318421.db2.gz ZGJWSUKMYXWBLY-RFZPGFLSSA-N 0 1 252.173 -0.267 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1nnc[nH]1 ZINC001350038974 890925923 /nfs/dbraw/zinc/92/59/23/890925923.db2.gz RFWXACYFQVIMHI-UHFFFAOYSA-N 0 1 266.217 -0.039 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)CCS(C)(=O)=O)c1[N+](=O)[O-] ZINC001326131195 884917265 /nfs/dbraw/zinc/91/72/65/884917265.db2.gz ZEVMLKLYYLOYNA-UHFFFAOYSA-N 0 1 290.301 -0.257 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCc2[nH]nnc2C1 ZINC001444500279 912458136 /nfs/dbraw/zinc/45/81/36/912458136.db2.gz HSGUHXWIFAUETG-UHFFFAOYSA-N 0 1 291.271 -0.197 20 5 CBBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NCC(F)F ZINC001326894360 885184551 /nfs/dbraw/zinc/18/45/51/885184551.db2.gz IIUVIJWRVFDKRR-UHFFFAOYSA-N 0 1 277.187 -0.571 20 5 CBBDMN CNC(=O)[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426493 886062628 /nfs/dbraw/zinc/06/26/28/886062628.db2.gz FCVKEUXMLHPVTD-GHMZBOCLSA-N 0 1 283.284 -0.675 20 5 CBBDMN O=C(NCCn1ccnn1)c1n[nH]cc1[N+](=O)[O-] ZINC001334960301 888371364 /nfs/dbraw/zinc/37/13/64/888371364.db2.gz AATJMKVRZUWASD-UHFFFAOYSA-N 0 1 251.206 -0.661 20 5 CBBDMN CCn1cnnc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001336414193 888758094 /nfs/dbraw/zinc/75/80/94/888758094.db2.gz NCDOZVLUWAVVPX-UHFFFAOYSA-N 0 1 279.260 -0.098 20 5 CBBDMN C[C@H](C[S@](C)=O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001337707051 889066577 /nfs/dbraw/zinc/06/65/77/889066577.db2.gz HEJFSZQOGJPTME-NEXAQPNMSA-N 0 1 260.275 -0.185 20 5 CBBDMN O=C(NC1(CO)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001337872998 889093019 /nfs/dbraw/zinc/09/30/19/889093019.db2.gz CRSCFOIEUIBMLH-UHFFFAOYSA-N 0 1 270.245 -0.411 20 5 CBBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339549780 889290189 /nfs/dbraw/zinc/29/01/89/889290189.db2.gz SLYJKHVLRRZHOE-SECBINFHSA-N 0 1 296.331 -0.316 20 5 CBBDMN CC(=O)OC[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001344391401 890022933 /nfs/dbraw/zinc/02/29/33/890022933.db2.gz HEXACHOOAYDLPA-SECBINFHSA-N 0 1 298.251 -0.046 20 5 CBBDMN O=C(N[C@H]1COCCC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001348409824 890619662 /nfs/dbraw/zinc/61/96/62/890619662.db2.gz HAVIYYRLPRAOFA-YFKPBYRVSA-N 0 1 254.202 -0.594 20 5 CBBDMN COCC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348935307 890727387 /nfs/dbraw/zinc/72/73/87/890727387.db2.gz NBDJVHUBAILAQY-RKDXNWHRSA-N 0 1 285.300 -0.689 20 5 CBBDMN O=C(N[C@@H]1Cc2cncn2C1)c1n[nH]cc1[N+](=O)[O-] ZINC001351287168 891127383 /nfs/dbraw/zinc/12/73/83/891127383.db2.gz FLWJHZJKZXVXHT-ZCFIWIBFSA-N 0 1 262.229 -0.131 20 5 CBBDMN O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1[n-]ncc1[N+](=O)[O-] ZINC001351287168 891127392 /nfs/dbraw/zinc/12/73/92/891127392.db2.gz FLWJHZJKZXVXHT-ZCFIWIBFSA-N 0 1 262.229 -0.131 20 5 CBBDMN COCCC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355443225 891679451 /nfs/dbraw/zinc/67/94/51/891679451.db2.gz VNYCRXUUYJOPJU-RKDXNWHRSA-N 0 1 273.289 -0.737 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccn1 ZINC001355592519 891692043 /nfs/dbraw/zinc/69/20/43/891692043.db2.gz XYMVBFVXKWAOGY-MWLCHTKSSA-N 0 1 292.295 -0.065 20 5 CBBDMN Cc1nonc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355591415 891693239 /nfs/dbraw/zinc/69/32/39/891693239.db2.gz DEMASXIYHPUECP-HTQZYQBOSA-N 0 1 297.271 -0.769 20 5 CBBDMN COCC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356611078 891783513 /nfs/dbraw/zinc/78/35/13/891783513.db2.gz FBIVCVKKQSQSDR-NXEZZACHSA-N 0 1 285.300 -0.595 20 5 CBBDMN CCCOCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356746921 891796154 /nfs/dbraw/zinc/79/61/54/891796154.db2.gz FWEHZBIKEYTWRW-NXEZZACHSA-N 0 1 285.300 -0.595 20 5 CBBDMN COC(=O)c1ncoc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001455155846 914300635 /nfs/dbraw/zinc/30/06/35/914300635.db2.gz AUCPBXQEDISTFB-PHDIDXHHSA-N 0 1 269.213 -0.257 20 5 CBBDMN C[C@@](CO)(NC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC001460623350 914801800 /nfs/dbraw/zinc/80/18/00/914801800.db2.gz ZMJQTIXZYAYHCO-NEPJUHHUSA-N 0 1 270.285 -0.255 20 5 CBBDMN CCn1ncnc1CNCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001481228729 916775740 /nfs/dbraw/zinc/77/57/40/916775740.db2.gz DUIYANMKHMONLE-NXEZZACHSA-N 0 1 296.331 -0.489 20 5 CBBDMN CCN(CCNCc1nnc(C)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482925019 917338795 /nfs/dbraw/zinc/33/87/95/917338795.db2.gz PUDYRFZAQSRPQZ-NXEZZACHSA-N 0 1 297.315 -0.019 20 5 CBBDMN CC(C)(F)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491065787 919017844 /nfs/dbraw/zinc/01/78/44/919017844.db2.gz YLLUVAFRVUZTEH-RNFRBKRXSA-N 0 1 261.253 -0.368 20 5 CBBDMN CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492950603 919459111 /nfs/dbraw/zinc/45/91/11/919459111.db2.gz YCVYASBFCWPUKM-NXEZZACHSA-N 0 1 286.332 -0.774 20 5 CBBDMN COCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001493981382 919643399 /nfs/dbraw/zinc/64/33/99/919643399.db2.gz FLLQSOOOTHGYBO-GWOFURMSSA-N 0 1 299.327 -0.158 20 5 CBBDMN CCS(=O)(=O)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528587529 922836178 /nfs/dbraw/zinc/83/61/78/922836178.db2.gz RZNLDODAHYEZPQ-HTQZYQBOSA-N 0 1 264.303 -0.407 20 5 CBBDMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529306226 922886079 /nfs/dbraw/zinc/88/60/79/922886079.db2.gz UDAKVYZULATCTI-RBXMUDONSA-N 0 1 278.330 -0.068 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1nn[nH]n1 ZINC001532085016 923020932 /nfs/dbraw/zinc/02/09/32/923020932.db2.gz HDNMCPUUBOWEBC-UHFFFAOYSA-N 0 1 280.248 -0.334 20 5 CBBDMN CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001535198383 923186015 /nfs/dbraw/zinc/18/60/15/923186015.db2.gz ZCQMSEBGZQWMAN-IWSPIJDZSA-N 0 1 255.274 -0.221 20 5 CBBDMN O=C(NCc1ccnc(-n2cncn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001535307246 923190124 /nfs/dbraw/zinc/19/01/24/923190124.db2.gz RNBKQMMUDPMYJY-NXEZZACHSA-N 0 1 288.267 -0.056 20 5 CBBDMN O=C(NC[C@H]1CCCCS1(=O)=O)[C@@H]1CC1[N+](=O)[O-] ZINC001536637976 923216609 /nfs/dbraw/zinc/21/66/09/923216609.db2.gz UQLSHOBDTYWDNH-IWSPIJDZSA-N 0 1 276.314 -0.265 20 5 CBBDMN COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537823783 923239751 /nfs/dbraw/zinc/23/97/51/923239751.db2.gz KIDLVAIXBOYMBN-SGIHWFKDSA-N 0 1 286.284 -0.122 20 5 CBBDMN COC(=O)[C@@](C)(Cn1cccn1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537508935 923240307 /nfs/dbraw/zinc/24/03/07/923240307.db2.gz GLTBAAOBVRAJRO-KBVBSXBZSA-N 0 1 296.283 -0.404 20 5 CBBDMN COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001537823782 923241655 /nfs/dbraw/zinc/24/16/55/923241655.db2.gz KIDLVAIXBOYMBN-QCLAVDOMSA-N 0 1 286.284 -0.122 20 5 CBBDMN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001540667547 923261927 /nfs/dbraw/zinc/26/19/27/923261927.db2.gz LLVMXHPNYNIMCD-LURJTMIESA-N 0 1 288.285 -0.518 20 5 CBBDMN O=C(NCCN1C(=O)CSC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001543316821 923290073 /nfs/dbraw/zinc/29/00/73/923290073.db2.gz PSEJDBWRALQBCC-PHDIDXHHSA-N 0 1 273.270 -0.537 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](CO)[C@H](CO)C1 ZINC001558021037 924146870 /nfs/dbraw/zinc/14/68/70/924146870.db2.gz GZDLKQFNPHQXMM-AOOOYVTPSA-N 0 1 296.279 -0.027 20 5 CBBDMN O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001558437255 924173912 /nfs/dbraw/zinc/17/39/12/924173912.db2.gz HBMYKPRSCOPICF-IJRMOIDVSA-N 0 1 282.252 -0.086 20 5 CBBDMN Cc1nc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC001558695067 924193854 /nfs/dbraw/zinc/19/38/54/924193854.db2.gz LQBUUTPZOAHPKW-UHFFFAOYSA-N 0 1 265.233 -0.466 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(NCCN2CC[C@H](O)C2)n1 ZINC001559250101 924217051 /nfs/dbraw/zinc/21/70/51/924217051.db2.gz SZDVQZQKFSQQGH-QMMMGPOBSA-N 0 1 255.278 -0.193 20 5 CBBDMN NCC(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124861154 187158838 /nfs/dbraw/zinc/15/88/38/187158838.db2.gz ILZMXHNAXKKRBZ-UHFFFAOYSA-N 0 1 292.295 -0.446 20 5 CBBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NCC1CC1 ZINC000351512716 219110124 /nfs/dbraw/zinc/11/01/24/219110124.db2.gz OXTMXDUYZUGPIR-UHFFFAOYSA-N 0 1 267.245 -0.426 20 5 CBBDMN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@@H]1O ZINC000352795687 529939783 /nfs/dbraw/zinc/93/97/83/529939783.db2.gz UAQZAFHYQQSVJK-BDAKNGLRSA-N 0 1 256.262 -0.517 20 5 CBBDMN CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000377598244 530013249 /nfs/dbraw/zinc/01/32/49/530013249.db2.gz BFQNZCDYHWYESY-RKDXNWHRSA-N 0 1 291.329 -0.808 20 5 CBBDMN CNS(=O)(=O)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000377597983 530013332 /nfs/dbraw/zinc/01/33/32/530013332.db2.gz BFQNZCDYHWYESY-IUCAKERBSA-N 0 1 291.329 -0.808 20 5 CBBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351711249 219183499 /nfs/dbraw/zinc/18/34/99/219183499.db2.gz YSMAZIJHYFNPEE-UHFFFAOYSA-N 0 1 265.273 -0.042 20 5 CBBDMN CN(C)c1noc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000352106598 219322417 /nfs/dbraw/zinc/32/24/17/219322417.db2.gz MERQLKWAXQZKKH-UHFFFAOYSA-N 0 1 281.232 -0.303 20 5 CBBDMN NC(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000052745042 351520964 /nfs/dbraw/zinc/52/09/64/351520964.db2.gz XBFGRYQVETVKHK-SFYZADRCSA-N 0 1 271.273 -0.950 20 5 CBBDMN NC(=O)[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618502 351668434 /nfs/dbraw/zinc/66/84/34/351668434.db2.gz JOPJPZIPFSHDCK-VHSXEESVSA-N 0 1 283.288 -0.898 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cnc[nH]1 ZINC000088753543 351727011 /nfs/dbraw/zinc/72/70/11/351727011.db2.gz CKLNOCUDYKHDJI-UHFFFAOYSA-N 0 1 250.218 -0.169 20 5 CBBDMN Cn1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000140070906 351924846 /nfs/dbraw/zinc/92/48/46/351924846.db2.gz BNDZWKQARAFCOT-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCNCC1 ZINC000159355342 351962167 /nfs/dbraw/zinc/96/21/67/351962167.db2.gz NOUPRQFXUSDTNO-UHFFFAOYSA-N 0 1 267.289 -0.078 20 5 CBBDMN CC(C)(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000159638091 351964358 /nfs/dbraw/zinc/96/43/58/351964358.db2.gz OHEBTZMIJZRMLF-ZETCQYMHSA-N 0 1 269.261 -0.052 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCCN1 ZINC000236080415 352288325 /nfs/dbraw/zinc/28/83/25/352288325.db2.gz JNWCYMVTVVJKPC-MRVPVSSYSA-N 0 1 268.273 -0.349 20 5 CBBDMN NC(=O)[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247475089 352347029 /nfs/dbraw/zinc/34/70/29/352347029.db2.gz JOPJPZIPFSHDCK-UWVGGRQHSA-N 0 1 283.288 -0.898 20 5 CBBDMN Nc1nc(NCCc2nc[nH]n2)ncc1[N+](=O)[O-] ZINC000268640200 352455353 /nfs/dbraw/zinc/45/53/53/352455353.db2.gz RCOLBQKVZZPDRC-UHFFFAOYSA-N 0 1 250.222 -0.260 20 5 CBBDMN COC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000270856309 352502904 /nfs/dbraw/zinc/50/29/04/352502904.db2.gz YSOYZSNTAKGBNI-SSDOTTSWSA-N 0 1 268.229 -0.001 20 5 CBBDMN CCc1[nH]nc(C(=O)N(CC)CC(N)=O)c1[N+](=O)[O-] ZINC000277911050 352575860 /nfs/dbraw/zinc/57/58/60/352575860.db2.gz HTZBFECWHLNUFB-UHFFFAOYSA-N 0 1 269.261 -0.172 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(C3CC3)CC2)c1 ZINC000304320093 352746138 /nfs/dbraw/zinc/74/61/38/352746138.db2.gz QDUXAPYDCPIJIA-ZDUSSCGKSA-N 0 1 295.343 -0.068 20 5 CBBDMN NC(=O)N[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330517125 352837833 /nfs/dbraw/zinc/83/78/33/352837833.db2.gz IWJXTHBJGIPYGO-MRVPVSSYSA-N 0 1 268.277 -0.052 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(CO)C2)c1[N+](=O)[O-] ZINC000331446710 352914998 /nfs/dbraw/zinc/91/49/98/352914998.db2.gz DKILAJQQJRORJG-UHFFFAOYSA-N 0 1 254.246 -0.055 20 5 CBBDMN O=c1[nH]nc2n1CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000332226652 352940473 /nfs/dbraw/zinc/94/04/73/352940473.db2.gz KQUHOPJPKYOQLD-UHFFFAOYSA-N 0 1 279.260 -0.396 20 5 CBBDMN CC(C)NC(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343106096 353253209 /nfs/dbraw/zinc/25/32/09/353253209.db2.gz JIYKKHBEYODAJW-UHFFFAOYSA-N 0 1 255.234 -0.428 20 5 CBBDMN CC(C)NC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343175810 353257169 /nfs/dbraw/zinc/25/71/69/353257169.db2.gz VKWLJHCJPHKJFL-UHFFFAOYSA-N 0 1 269.261 -0.038 20 5 CBBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(N)=O ZINC000343485328 353274801 /nfs/dbraw/zinc/27/48/01/353274801.db2.gz YVALGZNIWJXXNB-LURJTMIESA-N 0 1 255.234 -0.442 20 5 CBBDMN CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346343195 353372809 /nfs/dbraw/zinc/37/28/09/353372809.db2.gz FLEAEYCWBSXPRW-NKWVEPMBSA-N 0 1 281.272 -0.038 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CO)c1[N+](=O)[O-] ZINC000353976931 353537384 /nfs/dbraw/zinc/53/73/84/353537384.db2.gz SGKAHFWYMVKLBP-ZCFIWIBFSA-N 0 1 258.234 -0.948 20 5 CBBDMN COC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000358239496 353633273 /nfs/dbraw/zinc/63/32/73/353633273.db2.gz JNHWYVVGAKGMMC-LURJTMIESA-N 0 1 258.234 -0.291 20 5 CBBDMN CCc1n[n-]c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358428516 353644129 /nfs/dbraw/zinc/64/41/29/353644129.db2.gz WRLBPSWOQCUIKK-LBPRGKRZSA-N 0 1 297.315 -0.323 20 5 CBBDMN CCc1n[n-]c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358428516 353644131 /nfs/dbraw/zinc/64/41/31/353644131.db2.gz WRLBPSWOQCUIKK-LBPRGKRZSA-N 0 1 297.315 -0.323 20 5 CBBDMN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000364540754 353672263 /nfs/dbraw/zinc/67/22/63/353672263.db2.gz DDYWNYUFUSAWDY-MXWKQRLJSA-N 0 1 269.301 -0.369 20 5 CBBDMN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000371671425 353704943 /nfs/dbraw/zinc/70/49/43/353704943.db2.gz MHYQRXYWICSNTJ-VGMNWLOBSA-N 0 1 279.300 -0.063 20 5 CBBDMN COC(=O)[C@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374957098 353751002 /nfs/dbraw/zinc/75/10/02/353751002.db2.gz VFTVZHKTMUBYED-BZNPZCIMSA-N 0 1 272.257 -0.560 20 5 CBBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000374978266 353751646 /nfs/dbraw/zinc/75/16/46/353751646.db2.gz IEFZRKBWDQLXKO-ZYUZMQFOSA-N 0 1 267.285 -0.079 20 5 CBBDMN Cn1ncnc1[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000375220117 353756491 /nfs/dbraw/zinc/75/64/91/353756491.db2.gz UPIGTKGEZKZAPL-CIUDSAMLSA-N 0 1 281.272 -0.620 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1c1nc[nH]n1 ZINC000375293588 353758164 /nfs/dbraw/zinc/75/81/64/353758164.db2.gz SWJCEKDUUQCFLI-CSMHCCOUSA-N 0 1 267.245 -0.630 20 5 CBBDMN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCOC[C@H]1c1nnc[nH]1 ZINC000375293588 353758167 /nfs/dbraw/zinc/75/81/67/353758167.db2.gz SWJCEKDUUQCFLI-CSMHCCOUSA-N 0 1 267.245 -0.630 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)no1 ZINC000375777208 353767390 /nfs/dbraw/zinc/76/73/90/353767390.db2.gz HQFCXRIVXMNKRG-VGMNWLOBSA-N 0 1 282.256 -0.057 20 5 CBBDMN CC(C)(O)c1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000375776091 353767410 /nfs/dbraw/zinc/76/74/10/353767410.db2.gz FTJSGFAZYHKOJS-RKDXNWHRSA-N 0 1 295.299 -0.446 20 5 CBBDMN C[C@H]1CC(=O)NCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844327 353768193 /nfs/dbraw/zinc/76/81/93/353768193.db2.gz VGJXQIKPKVDCND-ONGXEEELSA-N 0 1 297.315 -0.637 20 5 CBBDMN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000374235074 353743324 /nfs/dbraw/zinc/74/33/24/353743324.db2.gz ZYLMLIWCQVDDMP-BWZBUEFSSA-N 0 1 251.246 -0.626 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)cn1 ZINC000374243245 353744065 /nfs/dbraw/zinc/74/40/65/353744065.db2.gz INTXZGOMZRTJNQ-UTLUCORTSA-N 0 1 293.283 -0.693 20 5 CBBDMN CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000408050220 353838337 /nfs/dbraw/zinc/83/83/37/353838337.db2.gz IMINDSCVVKUAHY-UHFFFAOYSA-N 0 1 282.304 -0.261 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CCCC[NH3+])c([N+](=O)[O-])n1 ZINC000447252855 354294643 /nfs/dbraw/zinc/29/46/43/354294643.db2.gz ULZFEDMOELSWPG-UHFFFAOYSA-N 0 1 291.333 -0.172 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000444313257 354269163 /nfs/dbraw/zinc/26/91/63/354269163.db2.gz GZDFPFCYAHXPCU-RQJHMYQMSA-N 0 1 284.272 -0.552 20 5 CBBDMN CCc1[nH]nc(C(=O)N(CCO)CCOC)c1[N+](=O)[O-] ZINC000444332118 354270140 /nfs/dbraw/zinc/27/01/40/354270140.db2.gz YOZMXEKPBUMCSU-UHFFFAOYSA-N 0 1 286.288 -0.039 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000545988158 354650274 /nfs/dbraw/zinc/65/02/74/354650274.db2.gz KHROUQXRYMUPRE-CBAPKCEASA-N 0 1 298.299 -0.304 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000578466857 354946776 /nfs/dbraw/zinc/94/67/76/354946776.db2.gz UTZNJPLECJCDRB-VHSXEESVSA-N 0 1 270.289 -0.534 20 5 CBBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000590546719 355082995 /nfs/dbraw/zinc/08/29/95/355082995.db2.gz RPUIVUMHCHRLOD-UHFFFAOYSA-N 0 1 268.189 -0.321 20 5 CBBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nn[nH]n2)n1 ZINC000587975184 355055118 /nfs/dbraw/zinc/05/51/18/355055118.db2.gz KKZQQWDWPCQSNZ-UHFFFAOYSA-N 0 1 279.216 -0.098 20 5 CBBDMN COC(=O)[C@@H]1C[C@@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198819 355140208 /nfs/dbraw/zinc/14/02/08/355140208.db2.gz OYKQFOSXJUGEKQ-NXEZZACHSA-N 0 1 298.299 -0.353 20 5 CBBDMN COC(=O)[C@H]1C[C@H](O)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198820 355140386 /nfs/dbraw/zinc/14/03/86/355140386.db2.gz OYKQFOSXJUGEKQ-UWVGGRQHSA-N 0 1 298.299 -0.353 20 5 CBBDMN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592383372 355150489 /nfs/dbraw/zinc/15/04/89/355150489.db2.gz QYOMZIQYHQCJLD-KNVOCYPGSA-N 0 1 272.286 -0.242 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]C[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000592383344 355151149 /nfs/dbraw/zinc/15/11/49/355151149.db2.gz OQTSXXSGBRFAIT-LURJTMIESA-N 0 1 277.306 -0.563 20 5 CBBDMN COC[C@@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000593060990 355191840 /nfs/dbraw/zinc/19/18/40/355191840.db2.gz MJPLBPZSCVIXBW-GXSJLCMTSA-N 0 1 270.289 -0.127 20 5 CBBDMN COC[C@H]1C[C@@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000593067056 355191947 /nfs/dbraw/zinc/19/19/47/355191947.db2.gz SLWRDLKAOZRQJO-NXEZZACHSA-N 0 1 270.289 -0.127 20 5 CBBDMN NC(=O)[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOC1 ZINC000594402761 355245929 /nfs/dbraw/zinc/24/59/29/355245929.db2.gz RJWCMPFTQDHKQC-LBPRGKRZSA-N 0 1 295.251 -0.325 20 5 CBBDMN COC(=O)[C@H](CCF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593794094 355219178 /nfs/dbraw/zinc/21/91/78/355219178.db2.gz FKPAQMQJDFXOBZ-YFKPBYRVSA-N 0 1 274.208 -0.051 20 5 CBBDMN CN1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594751333 355260274 /nfs/dbraw/zinc/26/02/74/355260274.db2.gz UDWNWIKWDNQLJQ-QMMMGPOBSA-N 0 1 286.313 -0.028 20 5 CBBDMN COC(=O)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594742046 355260324 /nfs/dbraw/zinc/26/03/24/355260324.db2.gz IKMSLUHYNGFVMU-LURJTMIESA-N 0 1 289.269 -0.170 20 5 CBBDMN COCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743429 355260518 /nfs/dbraw/zinc/26/05/18/355260518.db2.gz URZYSWMAIKVONJ-UHFFFAOYSA-N 0 1 261.259 -0.086 20 5 CBBDMN COC[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772321 355261039 /nfs/dbraw/zinc/26/10/39/355261039.db2.gz HYWITGHLKYULBQ-ZETCQYMHSA-N 0 1 291.285 -0.725 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](CO)CCF ZINC000594793981 355262757 /nfs/dbraw/zinc/26/27/57/355262757.db2.gz GSYOKQKFWBZZES-ZETCQYMHSA-N 0 1 293.276 -0.011 20 5 CBBDMN Cc1n[n-]c(C(=O)N2CCOC3(C[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000596099892 355344056 /nfs/dbraw/zinc/34/40/56/355344056.db2.gz ZRFINFSXQKOYRQ-UHFFFAOYSA-N 0 1 281.272 -0.559 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1COC1 ZINC000599488935 355493361 /nfs/dbraw/zinc/49/33/61/355493361.db2.gz JVEDTGBLWQNBIE-UHFFFAOYSA-N 0 1 273.270 -0.086 20 5 CBBDMN COCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204382 355472548 /nfs/dbraw/zinc/47/25/48/355472548.db2.gz UNPHMDNEBHWLST-UHFFFAOYSA-N 0 1 278.290 -0.357 20 5 CBBDMN CC[C@@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599244900 355473885 /nfs/dbraw/zinc/47/38/85/355473885.db2.gz MVHNPQUFBLPNHI-SECBINFHSA-N 0 1 292.317 -0.232 20 5 CBBDMN CCC[C@@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599240419 355473947 /nfs/dbraw/zinc/47/39/47/355473947.db2.gz IYNJNRNJDDCSCB-SSDOTTSWSA-N 0 1 292.317 -0.232 20 5 CBBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)O ZINC000599244472 355474083 /nfs/dbraw/zinc/47/40/83/355474083.db2.gz JODSZWQHMQQJFM-LURJTMIESA-N 0 1 292.317 -0.234 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(CO)CC2)n1 ZINC000599281627 355476072 /nfs/dbraw/zinc/47/60/72/355476072.db2.gz GTBQNWQMKSPMCB-UHFFFAOYSA-N 0 1 276.274 -0.869 20 5 CBBDMN CO[C@@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599287033 355476434 /nfs/dbraw/zinc/47/64/34/355476434.db2.gz GSCXUVFQASTNQA-LURJTMIESA-N 0 1 278.290 -0.359 20 5 CBBDMN CO[C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599287034 355476901 /nfs/dbraw/zinc/47/69/01/355476901.db2.gz GSCXUVFQASTNQA-ZCFIWIBFSA-N 0 1 278.290 -0.359 20 5 CBBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](O)[C@@H](O)C1 ZINC000600217444 355529775 /nfs/dbraw/zinc/52/97/75/355529775.db2.gz ZHRTZPBGJIIBDW-UWVGGRQHSA-N 0 1 292.251 -0.351 20 5 CBBDMN CN1CCOC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600417865 355543267 /nfs/dbraw/zinc/54/32/67/355543267.db2.gz BZQFYTUNUFDAJY-ZETCQYMHSA-N 0 1 269.261 -0.622 20 5 CBBDMN Cn1c(C(=O)NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600531871 355556951 /nfs/dbraw/zinc/55/69/51/355556951.db2.gz MYXUJEDEOZNRBJ-SECBINFHSA-N 0 1 282.300 -0.270 20 5 CBBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1c[nH]nn1 ZINC000610486909 355779543 /nfs/dbraw/zinc/77/95/43/355779543.db2.gz YQUONVUOFFZNHR-UHFFFAOYSA-N 0 1 265.233 -0.384 20 5 CBBDMN O=[N+]([O-])c1cnn(CCN2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604392 355782239 /nfs/dbraw/zinc/78/22/39/355782239.db2.gz PRLBYVCRJHTBGK-AOOOYVTPSA-N 0 1 256.262 -0.781 20 5 CBBDMN CCc1n[nH]c(C(=O)NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000618211703 356180198 /nfs/dbraw/zinc/18/01/98/356180198.db2.gz SUPIFVJUYHMROM-UHFFFAOYSA-N 0 1 266.221 -0.677 20 5 CBBDMN CCc1[nH]nc(C(=O)N2[C@@H]3CO[C@@H]4[C@H]2CO[C@H]34)c1[N+](=O)[O-] ZINC000618237914 356182461 /nfs/dbraw/zinc/18/24/61/356182461.db2.gz DLJLRDXDYQGWTR-JJHYMCDRSA-N 0 1 294.267 -0.129 20 5 CBBDMN CN1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000285642838 283156394 /nfs/dbraw/zinc/15/63/94/283156394.db2.gz FLVBLHBFVKPUGN-VHSXEESVSA-N 0 1 295.299 -0.137 20 5 CBBDMN CN(C[C@H](O)CO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274731594 192745112 /nfs/dbraw/zinc/74/51/12/192745112.db2.gz BIGIHKZNLJOTHD-JTQLQIEISA-N 0 1 270.241 -0.274 20 5 CBBDMN C[C@@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178496213 189121014 /nfs/dbraw/zinc/12/10/14/189121014.db2.gz XRARRZUEQIKSFC-MRVPVSSYSA-N 0 1 253.262 -0.388 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000342469812 216362397 /nfs/dbraw/zinc/36/23/97/216362397.db2.gz QUPHYVJWVWKJOG-NKWVEPMBSA-N 0 1 270.245 -0.542 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@]2(CCOC2)C1 ZINC000375089051 296073569 /nfs/dbraw/zinc/07/35/69/296073569.db2.gz XSKORODLMZXYDC-KKZNHRDASA-N 0 1 256.258 -0.331 20 5 CBBDMN CO[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000330883433 203351076 /nfs/dbraw/zinc/35/10/76/203351076.db2.gz BIGYUDZHNOZZES-JTQLQIEISA-N 0 1 270.245 -0.147 20 5 CBBDMN O=C(NC[C@]1(O)CCSC1)c1n[nH]cc1[N+](=O)[O-] ZINC000344000139 217009088 /nfs/dbraw/zinc/00/90/88/217009088.db2.gz FNOOXOZJKAZXRT-SECBINFHSA-N 0 1 272.286 -0.084 20 5 CBBDMN CC(C)N(CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000176197718 372836016 /nfs/dbraw/zinc/83/60/16/372836016.db2.gz IHTHPNVKEYVAQX-UHFFFAOYSA-N 0 1 255.278 -0.013 20 5 CBBDMN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000361775027 373335600 /nfs/dbraw/zinc/33/56/00/373335600.db2.gz NFSKCCUAOBTDIV-BBBLOLIVSA-N 0 1 286.284 -0.310 20 5 CBBDMN Cn1cc([C@@H](CO)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000494810279 373742306 /nfs/dbraw/zinc/74/23/06/373742306.db2.gz RKJIHHWOMQWNFF-LLVKDONJSA-N 0 1 280.288 -0.152 20 5 CBBDMN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCNCC1 ZINC000514591282 373754672 /nfs/dbraw/zinc/75/46/72/373754672.db2.gz TWEWZSSYBHBJGP-UHFFFAOYSA-N 0 1 292.295 -0.357 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCc2c[nH]nn2)c1 ZINC000562474312 374318922 /nfs/dbraw/zinc/31/89/22/374318922.db2.gz HQLCKDLSDDKDNG-UHFFFAOYSA-N 0 1 293.239 -0.096 20 5 CBBDMN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCc2cnn[nH]2)c1 ZINC000562474312 374318929 /nfs/dbraw/zinc/31/89/29/374318929.db2.gz HQLCKDLSDDKDNG-UHFFFAOYSA-N 0 1 293.239 -0.096 20 5 CBBDMN C[C@H]1[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000356870082 248295403 /nfs/dbraw/zinc/29/54/03/248295403.db2.gz CXQPOMRPSYSSIA-IUCAKERBSA-N 0 1 282.304 -0.263 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000370242262 248790616 /nfs/dbraw/zinc/79/06/16/248790616.db2.gz ICGBXHDIFCXYNH-MXWKQRLJSA-N 0 1 280.284 -0.015 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)C2(C)C)c1[N+](=O)[O-] ZINC000347572153 218276432 /nfs/dbraw/zinc/27/64/32/218276432.db2.gz GCSWFXXSBGHHLE-UHFFFAOYSA-N 0 1 281.272 -0.023 20 5 CBBDMN Cn1c(C(=O)NC[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000347884310 218389107 /nfs/dbraw/zinc/38/91/07/218389107.db2.gz LQTIEHVUMSNBDX-JTQLQIEISA-N 0 1 295.343 -0.091 20 5 CBBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155548076 207384725 /nfs/dbraw/zinc/38/47/25/207384725.db2.gz VTTVXAWGLWVONM-IUCAKERBSA-N 0 1 282.304 -0.263 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)N1 ZINC000153312705 207383621 /nfs/dbraw/zinc/38/36/21/207383621.db2.gz GWEJDZGKDBTGEH-OCAPTIKFSA-N 0 1 268.277 -0.605 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159745094 207391201 /nfs/dbraw/zinc/39/12/01/207391201.db2.gz NFLFAGVQPIHWDZ-DTORHVGOSA-N 0 1 280.288 -0.461 20 5 CBBDMN CCCN(CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429180424 208115389 /nfs/dbraw/zinc/11/53/89/208115389.db2.gz XZTOQLUODGPZSO-JTQLQIEISA-N 0 1 285.304 -0.651 20 5 CBBDMN O=C(NCCN1CCCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000438689057 208312764 /nfs/dbraw/zinc/31/27/64/208312764.db2.gz YGQGRAHRBKQUDH-UHFFFAOYSA-N 0 1 283.288 -0.230 20 5 CBBDMN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000040507799 174302576 /nfs/dbraw/zinc/30/25/76/174302576.db2.gz QNFWZCRRIUMNBZ-UHFFFAOYSA-N 0 1 292.295 -0.244 20 5 CBBDMN O=C(NCc1nnc2n1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000048792376 175448575 /nfs/dbraw/zinc/44/85/75/175448575.db2.gz LCPNUHRJHOMHBP-HTQZYQBOSA-N 0 1 265.273 -0.104 20 5 CBBDMN O=[N+]([O-])c1cnc2ccc(NCCc3nc[nH]n3)nn21 ZINC000347886787 419801437 /nfs/dbraw/zinc/80/14/37/419801437.db2.gz KXXSMHSBQKVUCE-UHFFFAOYSA-N 0 1 274.244 0.410 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)c1nn[nH]n1 ZINC000359800864 419987971 /nfs/dbraw/zinc/98/79/71/419987971.db2.gz QRKNDJIWHMNOTR-UHFFFAOYSA-N 0 1 294.275 -0.336 20 5 CBBDMN CCOC(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000359957036 419997471 /nfs/dbraw/zinc/99/74/71/419997471.db2.gz NAHCOWCCAPSJOZ-WDEREUQCSA-N 0 1 299.327 -0.251 20 5 CBBDMN Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000360272074 420014316 /nfs/dbraw/zinc/01/43/16/420014316.db2.gz XNAATQSBYJGEIT-VGMNWLOBSA-N 0 1 265.273 -0.317 20 5 CBBDMN O=C(N[C@@H]1CCCn2ncnc21)[C@@H]1CC1[N+](=O)[O-] ZINC000365917357 420071569 /nfs/dbraw/zinc/07/15/69/420071569.db2.gz BXLNWTUDSYBQCQ-PRJMDXOYSA-N 0 1 251.246 -0.106 20 5 CBBDMN COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000366034647 420076313 /nfs/dbraw/zinc/07/63/13/420076313.db2.gz XUYIKDQRCQVZJS-IWSPIJDZSA-N 0 1 295.299 -0.479 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370248803 420175615 /nfs/dbraw/zinc/17/56/15/420175615.db2.gz CNDPRVWBCDGJNP-KZVJFYERSA-N 0 1 272.257 -0.560 20 5 CBBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)CN1CCO ZINC000419007282 420243948 /nfs/dbraw/zinc/24/39/48/420243948.db2.gz RICBERHOTZAWQF-BDAKNGLRSA-N 0 1 296.331 -0.142 20 5 CBBDMN Nc1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000450795118 420298634 /nfs/dbraw/zinc/29/86/34/420298634.db2.gz SOVMNVAYHCRPQF-DTORHVGOSA-N 0 1 294.315 -0.336 20 5 CBBDMN CCc1nnc2n1C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000377504842 230291814 /nfs/dbraw/zinc/29/18/14/230291814.db2.gz XXGBEDGINYXJFZ-VGMNWLOBSA-N 0 1 279.300 -0.063 20 5 CBBDMN Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000377713411 230299367 /nfs/dbraw/zinc/29/93/67/230299367.db2.gz WRHJDXUHCXULEB-JMJZKYOTSA-N 0 1 279.300 -0.220 20 5 CBBDMN Nc1nccc(C(=O)N2CCc3[nH]nnc3C2)c1[N+](=O)[O-] ZINC000581952822 420471665 /nfs/dbraw/zinc/47/16/65/420471665.db2.gz WGHVNDZNQCMUEK-UHFFFAOYSA-N 0 1 289.255 -0.111 20 5 CBBDMN O=[N+]([O-])c1cnc2ccc(NCC[N@@H+]3CC[C@@H](O)C3)nn21 ZINC000599176374 420491237 /nfs/dbraw/zinc/49/12/37/420491237.db2.gz RYVIVPANFJAEIV-SECBINFHSA-N 0 1 292.299 0.116 20 5 CBBDMN O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@@H](O)C2)nc1 ZINC000599176022 420491348 /nfs/dbraw/zinc/49/13/48/420491348.db2.gz OLQCTVFZPCFVIR-SECBINFHSA-N 0 1 253.262 -0.137 20 5 CBBDMN O=[N+]([O-])c1cnc(NCCN2CC[C@@H](O)C2)nc1 ZINC000599176022 420491350 /nfs/dbraw/zinc/49/13/50/420491350.db2.gz OLQCTVFZPCFVIR-SECBINFHSA-N 0 1 253.262 -0.137 20 5 CBBDMN Nc1nccc(C(=O)NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809189 420492704 /nfs/dbraw/zinc/49/27/04/420492704.db2.gz VUJQKXASNJTUGU-QMMMGPOBSA-N 0 1 295.299 -0.632 20 5 CBBDMN CN(C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273667012 276776170 /nfs/dbraw/zinc/77/61/70/276776170.db2.gz XADDSJQMZREAJL-UHFFFAOYSA-N 0 1 294.315 -0.405 20 5 CBBDMN CN1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000285751235 277152170 /nfs/dbraw/zinc/15/21/70/277152170.db2.gz LMHDYKWURQAWEF-UWVGGRQHSA-N 0 1 295.299 -0.137 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2[nH]nnc2C1 ZINC000558749832 327118748 /nfs/dbraw/zinc/11/87/48/327118748.db2.gz XXLPXECTANWSOQ-UHFFFAOYSA-N 0 1 263.217 -0.366 20 5 CBBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCO)cc1 ZINC000554720301 334448278 /nfs/dbraw/zinc/44/82/78/334448278.db2.gz MEEAJRQPHDYOAW-UHFFFAOYSA-N 0 1 274.298 -0.050 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376431701 534601461 /nfs/dbraw/zinc/60/14/61/534601461.db2.gz AMFFWSWTHYJTGM-UYXSQOIJSA-N 0 1 274.298 -0.703 20 5 CBBDMN CC(C)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C ZINC000490298650 527829812 /nfs/dbraw/zinc/82/98/12/527829812.db2.gz KTSKFNLLSKROKU-SNVBAGLBSA-N 0 1 296.331 -0.015 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000230697932 582129462 /nfs/dbraw/zinc/12/94/62/582129462.db2.gz QCWZCOUMKACYLE-UHFFFAOYSA-N 0 1 277.244 -0.337 20 5 CBBDMN O=C(COC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCOCC1 ZINC000729915406 582147887 /nfs/dbraw/zinc/14/78/87/582147887.db2.gz MSGODJYVWBHJHH-UHFFFAOYSA-N 0 1 283.240 -0.062 20 5 CBBDMN CCN(CC(=O)NC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842618 582278326 /nfs/dbraw/zinc/27/83/26/582278326.db2.gz IVNSUGSOYNVSDN-SNVBAGLBSA-N 0 1 285.304 -0.780 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2CCO)c1[N+](=O)[O-] ZINC000769058831 582335181 /nfs/dbraw/zinc/33/51/81/582335181.db2.gz BMVAFXDBTFRYPD-MRVPVSSYSA-N 0 1 284.272 -0.150 20 5 CBBDMN NC(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000773020683 582346539 /nfs/dbraw/zinc/34/65/39/582346539.db2.gz LCWLXRUPSGEMRI-UHFFFAOYSA-N 0 1 268.229 -0.302 20 5 CBBDMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000817772428 582493689 /nfs/dbraw/zinc/49/36/89/582493689.db2.gz ZEFAGJXHXAYJSU-APPZFPTMSA-N 0 1 272.261 -0.443 20 5 CBBDMN CN1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000819622619 582537280 /nfs/dbraw/zinc/53/72/80/582537280.db2.gz UILRMDGAMFITKJ-DJLDLDEBSA-N 0 1 255.274 -0.364 20 5 CBBDMN CN1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000819622620 582537283 /nfs/dbraw/zinc/53/72/83/582537283.db2.gz UILRMDGAMFITKJ-IWSPIJDZSA-N 0 1 255.274 -0.364 20 5 CBBDMN CN1CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)=NC1=O ZINC000830577071 582935068 /nfs/dbraw/zinc/93/50/68/582935068.db2.gz OOHVHLFOEZDDCA-UHFFFAOYSA-N 0 1 280.244 -0.340 20 5 CBBDMN O=C([O-])[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000833188896 583058492 /nfs/dbraw/zinc/05/84/92/583058492.db2.gz JTBLLPQIBMAMPA-GXSJLCMTSA-N 0 1 298.299 -0.051 20 5 CBBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833291500 583062886 /nfs/dbraw/zinc/06/28/86/583062886.db2.gz WPCNNXOUOGECCR-BDAKNGLRSA-N 0 1 270.245 -0.689 20 5 CBBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833291500 583062888 /nfs/dbraw/zinc/06/28/88/583062888.db2.gz WPCNNXOUOGECCR-BDAKNGLRSA-N 0 1 270.245 -0.689 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000839462614 583156277 /nfs/dbraw/zinc/15/62/77/583156277.db2.gz BUZNYTBSHOJURC-GMTAPVOTSA-N 0 1 297.311 -0.499 20 5 CBBDMN C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839531819 583156450 /nfs/dbraw/zinc/15/64/50/583156450.db2.gz OOXDHCVDKIZKEY-OPRDCNLKSA-N 0 1 257.290 -0.512 20 5 CBBDMN CC(C)(C)C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839619494 583156868 /nfs/dbraw/zinc/15/68/68/583156868.db2.gz XPGICCAHRQHYEH-HTQZYQBOSA-N 0 1 257.290 -0.070 20 5 CBBDMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839653113 583157359 /nfs/dbraw/zinc/15/73/59/583157359.db2.gz VFCBDXWSMHPJDU-PRJMDXOYSA-N 0 1 258.230 -0.948 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)N1CCOCC1 ZINC000839658988 583157492 /nfs/dbraw/zinc/15/74/92/583157492.db2.gz WCBZAJMQVTZUJH-GWOFURMSSA-N 0 1 271.317 -0.123 20 5 CBBDMN CC(C)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000839684406 583157698 /nfs/dbraw/zinc/15/76/98/583157698.db2.gz VFFVCUZYVZYJJO-IWSPIJDZSA-N 0 1 255.274 -0.223 20 5 CBBDMN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686136 583157880 /nfs/dbraw/zinc/15/78/80/583157880.db2.gz LEVBBTKQBUVKIH-FNCVBFRFSA-N 0 1 276.314 -0.314 20 5 CBBDMN NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713291 583158406 /nfs/dbraw/zinc/15/84/06/583158406.db2.gz SFBNUMFDDBFFAV-IWSPIJDZSA-N 0 1 255.274 -0.092 20 5 CBBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000839710091 583158456 /nfs/dbraw/zinc/15/84/56/583158456.db2.gz VDHAICXCPLOMBS-JLIMGVALSA-N 0 1 257.290 -0.513 20 5 CBBDMN NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713290 583158564 /nfs/dbraw/zinc/15/85/64/583158564.db2.gz SFBNUMFDDBFFAV-DJLDLDEBSA-N 0 1 255.274 -0.092 20 5 CBBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000839747820 583159256 /nfs/dbraw/zinc/15/92/56/583159256.db2.gz FJXZZAGDLDTYBG-RGOKHQFPSA-N 0 1 258.274 -0.038 20 5 CBBDMN C[C@@H](CN1CCOCC1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839747858 583159277 /nfs/dbraw/zinc/15/92/77/583159277.db2.gz UVGXXFIPJWFNIE-HBNTYKKESA-N 0 1 271.317 -0.169 20 5 CBBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCO1 ZINC000839747821 583159364 /nfs/dbraw/zinc/15/93/64/583159364.db2.gz FJXZZAGDLDTYBG-UTINFBMNSA-N 0 1 258.274 -0.038 20 5 CBBDMN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12COC2 ZINC000839780837 583159795 /nfs/dbraw/zinc/15/97/95/583159795.db2.gz XFXVABLFOMKOTN-KXUCPTDWSA-N 0 1 298.295 -0.310 20 5 CBBDMN CCOC[C@H](C(=O)OC)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840393174 583164336 /nfs/dbraw/zinc/16/43/36/583164336.db2.gz UUECDAQFGXBSNZ-IWSPIJDZSA-N 0 1 274.273 -0.312 20 5 CBBDMN C[C@@H](O)C[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840418051 583164732 /nfs/dbraw/zinc/16/47/32/583164732.db2.gz DQQCKJUTAPLPJH-UTINFBMNSA-N 0 1 258.274 -0.350 20 5 CBBDMN CC(C)(CN1CCOCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840522193 583165842 /nfs/dbraw/zinc/16/58/42/583165842.db2.gz JMIOJMSHDLKJNM-NXEZZACHSA-N 0 1 271.317 -0.121 20 5 CBBDMN C[C@@H](CN(C)S(C)(=O)=O)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349617 583183624 /nfs/dbraw/zinc/18/36/24/583183624.db2.gz MYYYMMFUMVZGFT-XLPZGREQSA-N 0 1 280.302 -0.525 20 5 CBBDMN COC(=O)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnn1C ZINC000843713313 583234820 /nfs/dbraw/zinc/23/48/20/583234820.db2.gz OIUGQNGFMKKCEJ-VDAHYXPESA-N 0 1 282.256 -0.584 20 5 CBBDMN Cn1cc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC000845174271 583293161 /nfs/dbraw/zinc/29/31/61/583293161.db2.gz CCRRZMVPWFWSLB-IYSWYEEDSA-N 0 1 254.202 -0.794 20 5 CBBDMN CCN1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000846461695 583363204 /nfs/dbraw/zinc/36/32/04/583363204.db2.gz OWWCPCLMLCMBAF-DJLDLDEBSA-N 0 1 255.274 -0.364 20 5 CBBDMN Cn1nnc2c1CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000847199296 583400414 /nfs/dbraw/zinc/40/04/14/583400414.db2.gz RPMVOSYJAMNEPD-NYNCVSEMSA-N 0 1 265.273 -0.546 20 5 CBBDMN O=C(NCc1cccc(CO)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000848040348 583421980 /nfs/dbraw/zinc/42/19/80/583421980.db2.gz HCPQOTWJHHJBJS-NXEZZACHSA-N 0 1 251.242 -0.145 20 5 CBBDMN O=C(NCc1cc2n(n1)CCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000848097355 583427899 /nfs/dbraw/zinc/42/78/99/583427899.db2.gz FLQWLPHYTSWJHW-RKDXNWHRSA-N 0 1 266.257 -0.053 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000848129661 583429487 /nfs/dbraw/zinc/42/94/87/583429487.db2.gz SPDAIKILPVOQMB-IWSPIJDZSA-N 0 1 255.274 -0.269 20 5 CBBDMN CS(=O)(=O)CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000855217468 583635549 /nfs/dbraw/zinc/63/55/49/583635549.db2.gz ZZFNFWCCIVHSRB-RKDXNWHRSA-N 0 1 290.341 -0.017 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](Cn2ccnn2)C1 ZINC000855235876 583635608 /nfs/dbraw/zinc/63/56/08/583635608.db2.gz QGVWABUGNMWZGA-OPRDCNLKSA-N 0 1 265.273 -0.208 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CCOC2=O)C1 ZINC000855499453 583642348 /nfs/dbraw/zinc/64/23/48/583642348.db2.gz YMRNXDGQBTVFKL-DJLDLDEBSA-N 0 1 269.257 -0.295 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000855822300 583648697 /nfs/dbraw/zinc/64/86/97/583648697.db2.gz IAJMEBPIZRDOJG-IWSPIJDZSA-N 0 1 291.329 -0.856 20 5 CBBDMN CSCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(N)=O ZINC000862716628 583818952 /nfs/dbraw/zinc/81/89/52/583818952.db2.gz MVIGJTFHTDRBFU-DSYKOEDSSA-N 0 1 261.303 -0.625 20 5 CBBDMN COC(=O)[C@]1(OC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862741764 583822746 /nfs/dbraw/zinc/82/27/46/583822746.db2.gz OKHGNUCJXJNSQN-XLDPMVHQSA-N 0 1 272.257 -0.558 20 5 CBBDMN C[C@@H]1[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000862988655 583830321 /nfs/dbraw/zinc/83/03/21/583830321.db2.gz QPCUDYYQEBNXMC-WCTZXXKLSA-N 0 1 262.287 -0.657 20 5 CBBDMN Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000863748621 583852233 /nfs/dbraw/zinc/85/22/33/583852233.db2.gz FJQDCIORCWQYRE-BZNPZCIMSA-N 0 1 282.256 -0.011 20 5 CBBDMN CC[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000886533391 584442812 /nfs/dbraw/zinc/44/28/12/584442812.db2.gz AEFPAFUDLPUOHK-HRDYMLBCSA-N 0 1 255.274 -0.221 20 5 CBBDMN Cn1nccc1[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000887588794 584470075 /nfs/dbraw/zinc/47/00/75/584470075.db2.gz SLAFJMFKMVHMDQ-IEBDPFPHSA-N 0 1 280.284 -0.015 20 5 CBBDMN CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976483317 613676937 /nfs/dbraw/zinc/67/69/37/613676937.db2.gz LPJSISUDUFDYIT-SPFKKGSWSA-N 0 1 253.258 -0.756 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCO)C1 ZINC000950055625 614652005 /nfs/dbraw/zinc/65/20/05/614652005.db2.gz HLAMKLHNJQHANT-NXEZZACHSA-N 0 1 257.290 -0.823 20 5 CBBDMN CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976484501 614831360 /nfs/dbraw/zinc/83/13/60/614831360.db2.gz RYPAGCACTJFAMM-DZEUPHNYSA-N 0 1 267.285 -0.365 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cnco2)C1 ZINC000954242874 615867359 /nfs/dbraw/zinc/86/73/59/615867359.db2.gz ZINAUCDNAAOFAY-RKDXNWHRSA-N 0 1 294.267 -0.377 20 5 CBBDMN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccn[nH]2)C1 ZINC000954234395 615867424 /nfs/dbraw/zinc/86/74/24/615867424.db2.gz ATUOUJHWTYKTHD-PSASIEDQSA-N 0 1 293.283 -0.642 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc[nH]n2)C1 ZINC000954234395 615867425 /nfs/dbraw/zinc/86/74/25/615867425.db2.gz ATUOUJHWTYKTHD-PSASIEDQSA-N 0 1 293.283 -0.642 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cocn2)C1 ZINC000954235015 615867525 /nfs/dbraw/zinc/86/75/25/615867525.db2.gz OLYJHLGPSLGROD-PSASIEDQSA-N 0 1 294.267 -0.377 20 5 CBBDMN CC1CN(CC[N+](=O)[O-])CCN(CC[N+](=O)[O-])C1 ZINC000930654950 659317442 /nfs/dbraw/zinc/31/74/42/659317442.db2.gz FKMDJFMALKEGHF-UHFFFAOYSA-N 0 1 260.294 -0.207 20 5 CBBDMN O=[N+]([O-])c1ccc([C@@H](O)CN(CCO)CCO)cc1 ZINC000062350983 656033337 /nfs/dbraw/zinc/03/33/37/656033337.db2.gz AEUKUVROASZEFX-LBPRGKRZSA-N 0 1 270.285 -0.085 20 5 CBBDMN COC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000895095316 656278876 /nfs/dbraw/zinc/27/88/76/656278876.db2.gz IHUNXOKSRCOYTR-BWZBUEFSSA-N 0 1 274.298 -0.231 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001000906318 656772923 /nfs/dbraw/zinc/77/29/23/656772923.db2.gz WASJTRMGUMVPKF-MWLCHTKSSA-N 0 1 292.295 -0.132 20 5 CBBDMN O=C(NCC1CN(C(=O)C2(CF)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809851 656822008 /nfs/dbraw/zinc/82/20/08/656822008.db2.gz INJGLZCJAUDOCL-NXEZZACHSA-N 0 1 299.302 -0.024 20 5 CBBDMN CC(C)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795253 656822207 /nfs/dbraw/zinc/82/22/07/656822207.db2.gz DEUKMHGYZDIZCU-NXEZZACHSA-N 0 1 269.301 -0.118 20 5 CBBDMN O=C(NCC1CN(C(=O)C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809088 656822389 /nfs/dbraw/zinc/82/23/89/656822389.db2.gz WIQWEWHWCUPKFS-NXEZZACHSA-N 0 1 267.285 -0.364 20 5 CBBDMN O=C(c1cc[nH]c1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114799 657258896 /nfs/dbraw/zinc/25/88/96/657258896.db2.gz YBMXGBVWBXQQET-GHMZBOCLSA-N 0 1 292.295 -0.036 20 5 CBBDMN CCn1nc2c(cc1=O)CN(CC[N+](=O)[O-])CC2 ZINC000929752909 659168779 /nfs/dbraw/zinc/16/87/79/659168779.db2.gz IBGRYQFTAUZHFV-UHFFFAOYSA-N 0 1 252.274 -0.102 20 5 CBBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)C(F)F ZINC000976010137 659178823 /nfs/dbraw/zinc/17/88/23/659178823.db2.gz BAVGOTPUHITGBU-CBQIKETKSA-N 0 1 289.238 -0.510 20 5 CBBDMN CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079744181 805943137 /nfs/dbraw/zinc/94/31/37/805943137.db2.gz VPIIOUOCOFGONH-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN Cn1ccc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030292579 799290343 /nfs/dbraw/zinc/29/03/43/799290343.db2.gz PIIBOOAOYAKPLA-GHMZBOCLSA-N 0 1 279.300 -0.614 20 5 CBBDMN CCn1ncc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030292546 799290786 /nfs/dbraw/zinc/29/07/86/799290786.db2.gz OCFAPFBBQYKIMI-GHMZBOCLSA-N 0 1 294.315 -0.736 20 5 CBBDMN O=C(NC1CN(Cc2cnon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293015 799291700 /nfs/dbraw/zinc/29/17/00/799291700.db2.gz DBSCLHMWPLLHJJ-RKDXNWHRSA-N 0 1 267.245 -0.965 20 5 CBBDMN O=C(NC1CN(CCN2CCCC2=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293237 799292224 /nfs/dbraw/zinc/29/22/24/799292224.db2.gz IHQHTJYRZSTFTD-GHMZBOCLSA-N 0 1 296.327 -0.926 20 5 CBBDMN Cn1ncc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001031662189 799530357 /nfs/dbraw/zinc/53/03/57/799530357.db2.gz WLEDMLBJYXPJBR-GHMZBOCLSA-N 0 1 294.315 -0.972 20 5 CBBDMN O=C(NCC1CN(Cc2ccon2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661015 799530433 /nfs/dbraw/zinc/53/04/33/799530433.db2.gz JYKAVPXGUBLMDC-GHMZBOCLSA-N 0 1 280.284 -0.112 20 5 CBBDMN O=C(CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001041121677 801366780 /nfs/dbraw/zinc/36/67/80/801366780.db2.gz MMIKHNROAYPLOZ-NXEZZACHSA-N 0 1 297.311 -0.859 20 5 CBBDMN Cc1nonc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705428 801511276 /nfs/dbraw/zinc/51/12/76/801511276.db2.gz QEZDFVXOPLVNRC-MWLCHTKSSA-N 0 1 295.299 -0.314 20 5 CBBDMN CC(C)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001053253217 802244812 /nfs/dbraw/zinc/24/48/12/802244812.db2.gz ANOAOXLFLCEHFR-GHMZBOCLSA-N 0 1 283.328 -0.027 20 5 CBBDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC001057543743 802514462 /nfs/dbraw/zinc/51/44/62/802514462.db2.gz WCOFAXDFVNDNCH-GHMZBOCLSA-N 0 1 299.327 -0.611 20 5 CBBDMN O=C(N[C@@H](CO)C1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001321549816 803783121 /nfs/dbraw/zinc/78/31/21/803783121.db2.gz FLOTXKNDPUMETP-QMMMGPOBSA-N 0 1 284.272 -0.165 20 5 CBBDMN Cc1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC001322807265 803942850 /nfs/dbraw/zinc/94/28/50/803942850.db2.gz JYVJCLAALFJJPZ-UHFFFAOYSA-N 0 1 265.233 -0.466 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1c[nH]nn1 ZINC001323507592 804035794 /nfs/dbraw/zinc/03/57/94/804035794.db2.gz CFBFRHPXVXXJNO-UHFFFAOYSA-N 0 1 278.228 -0.809 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1nnc[nH]1 ZINC001323522161 804038228 /nfs/dbraw/zinc/03/82/28/804038228.db2.gz OQHFPEQCULZZRP-UHFFFAOYSA-N 0 1 278.228 -0.809 20 5 CBBDMN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC001325005814 804222112 /nfs/dbraw/zinc/22/21/12/804222112.db2.gz IEGNSPSPSJUTKU-RXMQYKEDSA-N 0 1 265.233 -0.063 20 5 CBBDMN O=C(O[C@@H]1CCN(C2CC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001325278190 804269479 /nfs/dbraw/zinc/26/94/79/804269479.db2.gz MAFZUVBWMXDSIV-IWSPIJDZSA-N 0 1 254.242 -0.042 20 5 CBBDMN CCOCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062446145 805013028 /nfs/dbraw/zinc/01/30/28/805013028.db2.gz LRMMXRITTIUARO-NXEZZACHSA-N 0 1 299.327 -0.157 20 5 CBBDMN CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001069919947 805163039 /nfs/dbraw/zinc/16/30/39/805163039.db2.gz NFHPTWQHFFASEO-NXEZZACHSA-N 0 1 285.300 -0.547 20 5 CBBDMN COCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013114 805357199 /nfs/dbraw/zinc/35/71/99/805357199.db2.gz QYWYTKRZKHYNHC-NXEZZACHSA-N 0 1 299.327 -0.205 20 5 CBBDMN CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074372816 805445334 /nfs/dbraw/zinc/44/53/34/805445334.db2.gz IAOYAWNAPHFWIY-NXEZZACHSA-N 0 1 299.327 -0.469 20 5 CBBDMN COc1cc(C)nc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001158074956 815501302 /nfs/dbraw/zinc/50/13/02/815501302.db2.gz OFNSDGXOITWCBC-UHFFFAOYSA-N 0 1 265.233 -0.259 20 5 CBBDMN NCc1nnnn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158077447 815503030 /nfs/dbraw/zinc/50/30/30/815503030.db2.gz QGYATFZWGBMLPV-UHFFFAOYSA-N 0 1 260.217 -0.095 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CC=CC1 ZINC001116186180 812229198 /nfs/dbraw/zinc/22/91/98/812229198.db2.gz OOIGCXCPUABTOP-UHFFFAOYSA-N 0 1 265.273 -0.221 20 5 CBBDMN CN(CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001116342116 812247011 /nfs/dbraw/zinc/24/70/11/812247011.db2.gz NTHBGCKPWRORJG-UHFFFAOYSA-N 0 1 294.311 -0.033 20 5 CBBDMN NC(=O)[C@]1(NCCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC001118306761 812523442 /nfs/dbraw/zinc/52/34/42/812523442.db2.gz PAAAHLLFBALXRV-JTQLQIEISA-N 0 1 269.261 -0.975 20 5 CBBDMN CN(C)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001124014551 813388731 /nfs/dbraw/zinc/38/87/31/813388731.db2.gz IZPNDIVHOGUSLP-OPRDCNLKSA-N 0 1 269.301 -0.022 20 5 CBBDMN CCn1ncnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126931832 813694643 /nfs/dbraw/zinc/69/46/43/813694643.db2.gz AZIDSWRUQHZAKN-RKDXNWHRSA-N 0 1 282.304 -0.831 20 5 CBBDMN O=C(NCCNCc1ccon1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932269 813695256 /nfs/dbraw/zinc/69/52/56/813695256.db2.gz PJRLIGGGPHKXOL-RKDXNWHRSA-N 0 1 254.246 -0.454 20 5 CBBDMN CC(C)n1ncnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932170 813695469 /nfs/dbraw/zinc/69/54/69/813695469.db2.gz KFEAHYHRAFKIMN-NXEZZACHSA-N 0 1 296.331 -0.270 20 5 CBBDMN Cc1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126931885 813695572 /nfs/dbraw/zinc/69/55/72/813695572.db2.gz DEJHLNJCNRINJH-HTQZYQBOSA-N 0 1 285.329 -0.282 20 5 CBBDMN CC(C)n1cc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001126936859 813697335 /nfs/dbraw/zinc/69/73/35/813697335.db2.gz VDKUSJLMVBCCTM-GHMZBOCLSA-N 0 1 296.331 -0.270 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1c1ncon1 ZINC001137552953 814585778 /nfs/dbraw/zinc/58/57/78/814585778.db2.gz IJRFVCJNVNFGQI-BWZBUEFSSA-N 0 1 268.229 -0.365 20 5 CBBDMN Cc1nnc(CN)n1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163348696 815880156 /nfs/dbraw/zinc/88/01/56/815880156.db2.gz NSSSJCGFADYBPT-UHFFFAOYSA-N 0 1 264.245 -0.116 20 5 CBBDMN Cc1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001292480195 816453407 /nfs/dbraw/zinc/45/34/07/816453407.db2.gz IJMJVTSKNYHBQZ-VXNVDRBHSA-N 0 1 282.256 -0.506 20 5 CBBDMN Cn1ccc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001293307826 816515015 /nfs/dbraw/zinc/51/50/15/816515015.db2.gz YTCCQEFXOILVFX-PSASIEDQSA-N 0 1 295.299 -0.679 20 5 CBBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnco1 ZINC001293307127 816515167 /nfs/dbraw/zinc/51/51/67/816515167.db2.gz LPURGXJLUYLGLR-HTQZYQBOSA-N 0 1 282.256 -0.424 20 5 CBBDMN O=C(Cc1ncc[nH]1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293303732 816515322 /nfs/dbraw/zinc/51/53/22/816515322.db2.gz LOHIHAXQCYSIPH-RKDXNWHRSA-N 0 1 295.299 -0.760 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCc1nc[nH]n1 ZINC001293424448 816518264 /nfs/dbraw/zinc/51/82/64/816518264.db2.gz IPYFUYHOJOQSEO-UHFFFAOYSA-N 0 1 279.260 -0.423 20 5 CBBDMN CN(CCNC(=O)c1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296002819 816595516 /nfs/dbraw/zinc/59/55/16/816595516.db2.gz XQZUUSVUGKKDJM-NXEZZACHSA-N 0 1 295.299 -0.727 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnco1 ZINC001296064779 816598831 /nfs/dbraw/zinc/59/88/31/816598831.db2.gz IZNSKAPMYUURAW-HTQZYQBOSA-N 0 1 282.256 -0.472 20 5 CBBDMN CNC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001296171246 816601948 /nfs/dbraw/zinc/60/19/48/816601948.db2.gz YBWOFTUXIQSGNX-XLPZGREQSA-N 0 1 256.262 -0.819 20 5 CBBDMN COC(=O)c1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001296190281 816603278 /nfs/dbraw/zinc/60/32/78/816603278.db2.gz QKXUHJCPFQJBIC-VXNVDRBHSA-N 0 1 295.255 -0.887 20 5 CBBDMN Cc1cnoc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296220351 816605596 /nfs/dbraw/zinc/60/55/96/816605596.db2.gz XDZSVJGJRKAKTE-RKDXNWHRSA-N 0 1 296.283 -0.164 20 5 CBBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncc[nH]1 ZINC001298064045 816659983 /nfs/dbraw/zinc/65/99/83/816659983.db2.gz CPZJZCBVWQVTBN-RKDXNWHRSA-N 0 1 295.299 -0.395 20 5 CBBDMN COCC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298218277 816672778 /nfs/dbraw/zinc/67/27/78/816672778.db2.gz WWYDDAXXOOOICM-KHVQUVQLSA-N 0 1 271.273 -0.913 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](CO)C1 ZINC001299170753 816713545 /nfs/dbraw/zinc/71/35/45/816713545.db2.gz RLDVJOWFVHTFNS-KCJUWKMLSA-N 0 1 282.252 -0.274 20 5 CBBDMN O=C(N[C@@H]1Cc2cnccc2NC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001303215100 816763090 /nfs/dbraw/zinc/76/30/90/816763090.db2.gz ULUHXVHNUFKPSP-SZEHBUNVSA-N 0 1 276.252 -0.274 20 5 CBBDMN COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001306830804 816793054 /nfs/dbraw/zinc/79/30/54/816793054.db2.gz GYVXXTSKLIOXCS-IWSPIJDZSA-N 0 1 282.256 -0.794 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)NCc2c[nH]nn2)n1 ZINC001319897285 817252186 /nfs/dbraw/zinc/25/21/86/817252186.db2.gz YKEUKZIEWADLFX-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN CN1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001320009179 817267762 /nfs/dbraw/zinc/26/77/62/817267762.db2.gz HEECYEVVTDFMRP-SNVBAGLBSA-N 0 1 294.311 -0.033 20 5 CBBDMN O=C(NC[C@@H]1CCCNC1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001321344259 817485404 /nfs/dbraw/zinc/48/54/04/817485404.db2.gz OWCJQQMJMYQBBF-LURJTMIESA-N 0 1 267.245 -0.426 20 5 CBBDMN COC(=O)[C@H]1CNCCN1c1ncc(OC)cc1[N+](=O)[O-] ZINC001165439224 819963171 /nfs/dbraw/zinc/96/31/71/819963171.db2.gz PBAKLKFMIQQSPZ-SNVBAGLBSA-N 0 1 296.283 -0.050 20 5 CBBDMN COc1ncc([N+](=O)[O-])c(-n2c(C)ncc(CN)c2=N)n1 ZINC001167672681 820109185 /nfs/dbraw/zinc/10/91/85/820109185.db2.gz SQZIQYDKJUEMHB-UHFFFAOYSA-N 0 1 291.271 -0.174 20 5 CBBDMN CN(CC[N@H+](C)CCO)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001168350787 820159255 /nfs/dbraw/zinc/15/92/55/820159255.db2.gz WXKVSXBRISGQEX-UHFFFAOYSA-N 0 1 298.299 -0.309 20 5 CBBDMN CN(CC[N@@H+](C)CCO)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001168350787 820159258 /nfs/dbraw/zinc/15/92/58/820159258.db2.gz WXKVSXBRISGQEX-UHFFFAOYSA-N 0 1 298.299 -0.309 20 5 CBBDMN NC(=O)CN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040051 820202016 /nfs/dbraw/zinc/20/20/16/820202016.db2.gz XGMDEPUWLZVMHB-MNOVXSKESA-N 0 1 270.333 -0.465 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC(CO)(CO)C2)c1[N+](=O)[O-] ZINC001177499202 820523688 /nfs/dbraw/zinc/52/36/88/820523688.db2.gz OGSYNWNADXYPBB-UHFFFAOYSA-N 0 1 270.245 -0.947 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001181243937 820768309 /nfs/dbraw/zinc/76/83/09/820768309.db2.gz ZCPHRTHUHWTCJA-IUCAKERBSA-N 0 1 298.299 -0.311 20 5 CBBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnco1 ZINC001283538977 828525053 /nfs/dbraw/zinc/52/50/53/828525053.db2.gz ISCAVUUFXWRFOX-RKDXNWHRSA-N 0 1 296.283 -0.082 20 5 CBBDMN CC(=O)N1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283816481 828552358 /nfs/dbraw/zinc/55/23/58/828552358.db2.gz MZYOXWOYORHJLG-VXGBXAGGSA-N 0 1 298.343 -0.678 20 5 CBBDMN CN(CCNC(=O)c1ccn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284515625 828607243 /nfs/dbraw/zinc/60/72/43/828607243.db2.gz XKUSCSQUPVZRBP-GHMZBOCLSA-N 0 1 294.311 -0.122 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccnn1 ZINC001284521570 828608187 /nfs/dbraw/zinc/60/81/87/828608187.db2.gz BRRWHIIOYNFSGU-PSASIEDQSA-N 0 1 293.283 -0.670 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC001195012089 824099144 /nfs/dbraw/zinc/09/91/44/824099144.db2.gz GPABCQXXIZBCKO-RTXFEEFZSA-N 0 1 282.296 -0.087 20 5 CBBDMN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](O)[C@@H](CO)C2)c1 ZINC001195012089 824099149 /nfs/dbraw/zinc/09/91/49/824099149.db2.gz GPABCQXXIZBCKO-RTXFEEFZSA-N 0 1 282.296 -0.087 20 5 CBBDMN COC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001226653691 825285750 /nfs/dbraw/zinc/28/57/50/825285750.db2.gz YRFRDLIMGVPYLY-ZCFIWIBFSA-N 0 1 298.255 -0.040 20 5 CBBDMN C[N+](C)(C)C[C@H](O)CC(=O)OC1=NC(=O)CC([O-])=N1 ZINC001228387657 825316798 /nfs/dbraw/zinc/31/67/98/825316798.db2.gz CXWUSROJKOBMLO-SSDOTTSWSA-O 0 1 272.281 -0.750 20 5 CBBDMN O=c1cc(O)nc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[nH]1 ZINC001228389490 825318380 /nfs/dbraw/zinc/31/83/80/825318380.db2.gz ZIVBHRXCJBGTMM-YFKPBYRVSA-N 0 1 295.211 -0.168 20 5 CBBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)C(N)=O ZINC001254540061 825965537 /nfs/dbraw/zinc/96/55/37/825965537.db2.gz OWJYAWYKRMKMQS-WCBMZHEXSA-N 0 1 267.285 -0.038 20 5 CBBDMN C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)O1 ZINC001261246002 826500131 /nfs/dbraw/zinc/50/01/31/826500131.db2.gz XPMVHTBAQYLOEI-CRCLSJGQSA-N 0 1 254.202 -0.248 20 5 CBBDMN CCCNC(=O)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001262648666 826721769 /nfs/dbraw/zinc/72/17/69/826721769.db2.gz NPLWXZOKGDHPAP-ZCFIWIBFSA-N 0 1 269.261 -0.038 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CCCC2=O)C1 ZINC001269092544 827463409 /nfs/dbraw/zinc/46/34/09/827463409.db2.gz CLHBIBFPIBOQSJ-OPRDCNLKSA-N 0 1 267.285 -0.125 20 5 CBBDMN Cn1ncc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001277054675 828173911 /nfs/dbraw/zinc/17/39/11/828173911.db2.gz HZXBTQOEZVOEGS-NXEZZACHSA-N 0 1 294.315 -0.781 20 5 CBBDMN CN1CC[C@@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001464596764 914993471 /nfs/dbraw/zinc/99/34/71/914993471.db2.gz LSUTXDMJQNIIJK-SSDOTTSWSA-N 0 1 289.317 -0.689 20 5 CBBDMN CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042975537 884622685 /nfs/dbraw/zinc/62/26/85/884622685.db2.gz NSPJFMYHSJIKED-RKDXNWHRSA-N 0 1 285.300 -0.859 20 5 CBBDMN O=C(NCCN1CCNC1=S)c1n[nH]cc1[N+](=O)[O-] ZINC001182053052 884710508 /nfs/dbraw/zinc/71/05/08/884710508.db2.gz PCKLOPVWUZLEFM-UHFFFAOYSA-N 0 1 284.301 -0.762 20 5 CBBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C(=O)[O-])C1 ZINC001328606406 885742749 /nfs/dbraw/zinc/74/27/49/885742749.db2.gz JRXQKDYLTQGGFW-SSDOTTSWSA-N 0 1 296.287 -0.580 20 5 CBBDMN Cn1cncc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001329870539 886250647 /nfs/dbraw/zinc/25/06/47/886250647.db2.gz ZBHSIYFJNKJZPQ-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN Cn1c[nH+]cc1CNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC001329870539 886250663 /nfs/dbraw/zinc/25/06/63/886250663.db2.gz ZBHSIYFJNKJZPQ-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CC=CC1 ZINC001330695695 886535968 /nfs/dbraw/zinc/53/59/68/886535968.db2.gz SBVIECJYSBSEBR-UHFFFAOYSA-N 0 1 265.273 -0.221 20 5 CBBDMN O=C(NC1(CCO)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001330886460 886616501 /nfs/dbraw/zinc/61/65/01/886616501.db2.gz LHMOVPZGVNIFAY-UHFFFAOYSA-N 0 1 284.272 -0.021 20 5 CBBDMN O=C(NC[C@@H](O)[C@@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001331806382 886991419 /nfs/dbraw/zinc/99/14/19/886991419.db2.gz GTTPCIFKHYKPSQ-SFYZADRCSA-N 0 1 270.245 -0.412 20 5 CBBDMN CN1CCN(C2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC001332563917 887358029 /nfs/dbraw/zinc/35/80/29/887358029.db2.gz NMCSHCMFEUTPDX-UHFFFAOYSA-N 0 1 294.315 -0.610 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CCC2)C1 ZINC001333409690 887627341 /nfs/dbraw/zinc/62/73/41/887627341.db2.gz NAXZGIVAXMGENK-SECBINFHSA-N 0 1 280.288 -0.507 20 5 CBBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1nncn1C ZINC001338859700 889207349 /nfs/dbraw/zinc/20/73/49/889207349.db2.gz BIPSIQLCXNMALP-LURJTMIESA-N 0 1 279.260 -0.020 20 5 CBBDMN Cn1cnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001341539711 889621255 /nfs/dbraw/zinc/62/12/55/889621255.db2.gz KNBKUMBJDTUHOU-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN NCC(=O)NCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345780795 890164450 /nfs/dbraw/zinc/16/44/50/890164450.db2.gz ISXXFUFMMFFEOA-UHFFFAOYSA-N 0 1 278.268 -0.488 20 5 CBBDMN C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1 ZINC001346046413 890205539 /nfs/dbraw/zinc/20/55/39/890205539.db2.gz JCMXRJLWYGXNMA-SECBINFHSA-N 0 1 280.284 -0.423 20 5 CBBDMN O=C(Cc1ccon1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348680488 890677987 /nfs/dbraw/zinc/67/79/87/890677987.db2.gz XZCMNCREENGGLC-RKDXNWHRSA-N 0 1 282.256 -0.885 20 5 CBBDMN CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001358643119 892040851 /nfs/dbraw/zinc/04/08/51/892040851.db2.gz BQGFGUJJVSEUNU-HTQZYQBOSA-N 0 1 255.274 -0.173 20 5 CBBDMN CC(C)OCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001358721451 892049023 /nfs/dbraw/zinc/04/90/23/892049023.db2.gz VGGNLFKXUSXCKE-GHMZBOCLSA-N 0 1 299.327 -0.254 20 5 CBBDMN CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001454609450 914234211 /nfs/dbraw/zinc/23/42/11/914234211.db2.gz XINMSPNJLCDIEJ-QMMMGPOBSA-N 0 1 297.315 -0.107 20 5 CBBDMN COCCO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001459148802 914707746 /nfs/dbraw/zinc/70/77/46/914707746.db2.gz MXRDCECSKCHCNY-GWOFURMSSA-N 0 1 288.300 -0.412 20 5 CBBDMN O=C(NC[C@@H]1CCCCN1CCO)c1c[nH]nc1[N+](=O)[O-] ZINC001468292416 915286781 /nfs/dbraw/zinc/28/67/81/915286781.db2.gz SWEFZYNAEPECEH-VIFPVBQESA-N 0 1 297.315 -0.106 20 5 CBBDMN COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001471260363 915569372 /nfs/dbraw/zinc/56/93/72/915569372.db2.gz KSNCJUPYXFJPBY-GMEUVTARSA-N 0 1 297.267 -0.428 20 5 CBBDMN Cn1ccnc1C1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001471486702 915592728 /nfs/dbraw/zinc/59/27/28/915592728.db2.gz ASUYMMOODWVBRW-HTQZYQBOSA-N 0 1 266.257 -0.885 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2ccon2)CC1 ZINC001472956636 915784592 /nfs/dbraw/zinc/78/45/92/915784592.db2.gz XSFHAVLAMQURFI-GHMZBOCLSA-N 0 1 280.284 -0.016 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[C@H](O)C2)n1 ZINC001475639190 915950832 /nfs/dbraw/zinc/95/08/32/915950832.db2.gz QGBXTIIQCXWVQK-LJGSYFOKSA-N 0 1 290.301 -0.623 20 5 CBBDMN CCN(CC)C(=O)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001481557578 916883018 /nfs/dbraw/zinc/88/30/18/916883018.db2.gz VGMXPVHDEBEMBW-GHMZBOCLSA-N 0 1 298.343 -0.680 20 5 CBBDMN CN(CCOCCNC(=O)C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001487574202 918557818 /nfs/dbraw/zinc/55/78/18/918557818.db2.gz JOUUKGQVAMCYEO-GHMZBOCLSA-N 0 1 299.327 -0.347 20 5 CBBDMN CC(C)OCCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491124620 919042329 /nfs/dbraw/zinc/04/23/29/919042329.db2.gz YGEVNZITUDPJKQ-NXEZZACHSA-N 0 1 287.316 -0.301 20 5 CBBDMN CC(C)OCC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491622594 919234223 /nfs/dbraw/zinc/23/42/23/919234223.db2.gz NHVJBGNIOHIRCE-NXEZZACHSA-N 0 1 287.316 -0.301 20 5 CBBDMN CCOCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001493962192 919639815 /nfs/dbraw/zinc/63/98/15/919639815.db2.gz NRMIBBLJKCZQBM-ZYUZMQFOSA-N 0 1 285.300 -0.549 20 5 CBBDMN CCCCOCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001498175148 920509545 /nfs/dbraw/zinc/50/95/45/920509545.db2.gz VXQHBSLNIKVPHT-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN Cc1c[nH]nc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528103844 922806113 /nfs/dbraw/zinc/80/61/13/922806113.db2.gz DQCMQRLPLUBVSI-RKDXNWHRSA-N 0 1 295.299 -0.428 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001528109883 922807190 /nfs/dbraw/zinc/80/71/90/922807190.db2.gz GBQZQMFHBMNQPG-HTQZYQBOSA-N 0 1 275.280 -0.026 20 5 CBBDMN CS(=O)(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001531490093 923002845 /nfs/dbraw/zinc/00/28/45/923002845.db2.gz MPJPFPZGTSDQDU-HTQZYQBOSA-N 0 1 276.314 -0.265 20 5 CBBDMN CCOCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001536354524 923209994 /nfs/dbraw/zinc/20/99/94/923209994.db2.gz BETWVCYUPLQHNL-NXEZZACHSA-N 0 1 285.300 -0.643 20 5 CBBDMN Cc1[nH]nc(C(=O)N2NC(=O)C[C@@H]2C)c1[N+](=O)[O-] ZINC001540632096 923260302 /nfs/dbraw/zinc/26/03/02/923260302.db2.gz BCPRLOLFVOPXJE-BYPYZUCNSA-N 0 1 253.218 -0.108 20 5 CBBDMN C[C@@H](CN1CCCC1=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001542625781 923273049 /nfs/dbraw/zinc/27/30/49/923273049.db2.gz ABNHLXGLFWDGNM-DJLDLDEBSA-N 0 1 255.274 -0.221 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001556376321 924056815 /nfs/dbraw/zinc/05/68/15/924056815.db2.gz MSUHYOGGDHLZDF-UHFFFAOYSA-N 0 1 292.255 -0.467 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001556619412 924069159 /nfs/dbraw/zinc/06/91/59/924069159.db2.gz NAGMNVHFTKLDDT-UTINFBMNSA-N 0 1 288.325 -0.170 20 5 CBBDMN CN=[S@](C)(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001557677615 924127197 /nfs/dbraw/zinc/12/71/97/924127197.db2.gz PIFUXDOGJCKKLX-GOSISDBHSA-N 0 1 275.290 -0.225 20 5 CBBDMN C[C@](O)(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000338621616 214683838 /nfs/dbraw/zinc/68/38/38/214683838.db2.gz RJEOTZSDCNKNAU-LLVKDONJSA-N 0 1 270.241 -0.227 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(C(=O)NC)C2)c1[N+](=O)[O-] ZINC000274507213 352539877 /nfs/dbraw/zinc/53/98/77/352539877.db2.gz UQEBCCAHPLMLOJ-UHFFFAOYSA-N 0 1 281.272 -0.302 20 5 CBBDMN C[C@H](NC(=O)CNC(=O)CN)c1cccc([N+](=O)[O-])c1 ZINC000037766598 351404448 /nfs/dbraw/zinc/40/44/48/351404448.db2.gz MRLPAEPQMPEZRP-QMMMGPOBSA-N 0 1 280.284 -0.153 20 5 CBBDMN CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000047297752 351459459 /nfs/dbraw/zinc/45/94/59/351459459.db2.gz OWZCZNYZZGMKMP-BDAKNGLRSA-N 0 1 291.329 -0.855 20 5 CBBDMN NC(=O)C1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000052745044 351521656 /nfs/dbraw/zinc/52/16/56/351521656.db2.gz XBFGRYQVETVKHK-YUMQZZPRSA-N 0 1 271.273 -0.950 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1N1CCCN(CCO)CC1 ZINC000071349574 351644562 /nfs/dbraw/zinc/64/45/62/351644562.db2.gz JAANFHKHORSISK-UHFFFAOYSA-N 0 1 269.305 -0.167 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCCCc1nc[nH]n1 ZINC000080572943 351698119 /nfs/dbraw/zinc/69/81/19/351698119.db2.gz XAYGJKWXPMLWBQ-UHFFFAOYSA-N 0 1 279.260 -0.342 20 5 CBBDMN CN(C)C(=O)CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075619329 351668748 /nfs/dbraw/zinc/66/87/48/351668748.db2.gz CBHQIGJJZIUTHK-JTQLQIEISA-N 0 1 285.304 -0.828 20 5 CBBDMN CCNC(=O)CN(CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075598042 351668943 /nfs/dbraw/zinc/66/89/43/351668943.db2.gz KZJSVSZXWWWBNB-LLVKDONJSA-N 0 1 299.331 -0.390 20 5 CBBDMN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000092772474 351752994 /nfs/dbraw/zinc/75/29/94/351752994.db2.gz OMUBJTGCUMENDW-VGMNWLOBSA-N 0 1 291.329 -0.808 20 5 CBBDMN C[C@@H](CN1CCOCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136031929 351918937 /nfs/dbraw/zinc/91/89/37/351918937.db2.gz MZPQQKVBKJDMKG-QMMMGPOBSA-N 0 1 283.288 -0.232 20 5 CBBDMN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000131395716 351886151 /nfs/dbraw/zinc/88/61/51/351886151.db2.gz ZAPHKMGFPIPQPH-ZCFIWIBFSA-N 0 1 279.256 -0.189 20 5 CBBDMN COCCN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174870079 352052407 /nfs/dbraw/zinc/05/24/07/352052407.db2.gz ATUUZNJFJBMIMA-UHFFFAOYSA-N 0 1 258.278 -0.268 20 5 CBBDMN CN(CC(=O)NC1CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173501285 352038152 /nfs/dbraw/zinc/03/81/52/352038152.db2.gz DRADBXSIQGBFMK-LLVKDONJSA-N 0 1 297.315 -0.637 20 5 CBBDMN CNC(=O)[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173563616 352039574 /nfs/dbraw/zinc/03/95/74/352039574.db2.gz CZVQRAWAACHZFR-QWRGUYRKSA-N 0 1 297.315 -0.637 20 5 CBBDMN O=C(NCC(F)(F)CO)c1n[nH]cc1[N+](=O)[O-] ZINC000186083453 352123865 /nfs/dbraw/zinc/12/38/65/352123865.db2.gz RTNWCUAMOCADKW-UHFFFAOYSA-N 0 1 250.161 -0.325 20 5 CBBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000187703625 352142487 /nfs/dbraw/zinc/14/24/87/352142487.db2.gz BIWIUKLRDHSINK-LLVKDONJSA-N 0 1 283.332 -0.210 20 5 CBBDMN CNC(=O)[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226940 352344825 /nfs/dbraw/zinc/34/48/25/352344825.db2.gz CZVQRAWAACHZFR-MNOVXSKESA-N 0 1 297.315 -0.637 20 5 CBBDMN NC(=O)[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247475094 352347479 /nfs/dbraw/zinc/34/74/79/352347479.db2.gz JOPJPZIPFSHDCK-ZJUUUORDSA-N 0 1 283.288 -0.898 20 5 CBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ncn[nH]1 ZINC000269737651 352480439 /nfs/dbraw/zinc/48/04/39/352480439.db2.gz XSFQTDHZDHULJK-UHFFFAOYSA-N 0 1 251.206 -0.661 20 5 CBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)c1nc[nH]n1 ZINC000269737651 352480442 /nfs/dbraw/zinc/48/04/42/352480442.db2.gz XSFQTDHZDHULJK-UHFFFAOYSA-N 0 1 251.206 -0.661 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275132663 352552936 /nfs/dbraw/zinc/55/29/36/352552936.db2.gz MIGABNPTUUTJFA-QMMMGPOBSA-N 0 1 297.315 -0.235 20 5 CBBDMN COc1cc(CNC[C@@H](O)CO)c([N+](=O)[O-])cc1O ZINC000276704292 352561154 /nfs/dbraw/zinc/56/11/54/352561154.db2.gz FRYKCWJDVKQTHQ-MRVPVSSYSA-N 0 1 272.257 -0.248 20 5 CBBDMN CN1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298688727 352714246 /nfs/dbraw/zinc/71/42/46/352714246.db2.gz CMPAOWMNXCYADM-UHFFFAOYSA-N 0 1 267.289 -0.045 20 5 CBBDMN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1CCO ZINC000331120248 352880121 /nfs/dbraw/zinc/88/01/21/352880121.db2.gz AOPWUHCJRVHMNN-SNVBAGLBSA-N 0 1 283.332 -0.173 20 5 CBBDMN CC1(C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1 ZINC000331251578 352896604 /nfs/dbraw/zinc/89/66/04/352896604.db2.gz PKNMWQKTHYJIQP-UHFFFAOYSA-N 0 1 294.311 -0.033 20 5 CBBDMN CCN1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1=O ZINC000332615031 352970859 /nfs/dbraw/zinc/97/08/59/352970859.db2.gz DYJFEHRYPBQBOM-UHFFFAOYSA-N 0 1 267.245 -0.112 20 5 CBBDMN C[C@@](O)(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000338621617 353109254 /nfs/dbraw/zinc/10/92/54/353109254.db2.gz RJEOTZSDCNKNAU-NSHDSACASA-N 0 1 270.241 -0.227 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC[C@H](NC(N)=O)C2)c1[N+](=O)[O-] ZINC000343067548 353250264 /nfs/dbraw/zinc/25/02/64/353250264.db2.gz BNBFIVBWHIQHEO-LURJTMIESA-N 0 1 296.287 -0.237 20 5 CBBDMN CCNC(=O)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343095845 353252441 /nfs/dbraw/zinc/25/24/41/353252441.db2.gz LACNXXYISGLGSM-RXMQYKEDSA-N 0 1 255.234 -0.428 20 5 CBBDMN COC(=O)[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371096639 353696358 /nfs/dbraw/zinc/69/63/58/353696358.db2.gz CLSOREUKJYJURF-RNJXMRFFSA-N 0 1 258.230 -0.948 20 5 CBBDMN Cn1ccc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)n1 ZINC000370925302 353693355 /nfs/dbraw/zinc/69/33/55/353693355.db2.gz VMDZTEVQYIZTKI-XHNCKOQMSA-N 0 1 293.283 -0.693 20 5 CBBDMN NC(=O)[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375445558 353760162 /nfs/dbraw/zinc/76/01/62/353760162.db2.gz AGJRXUVCAHRFMZ-WNJXEPBRSA-N 0 1 295.217 -0.226 20 5 CBBDMN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000376151416 353772208 /nfs/dbraw/zinc/77/22/08/353772208.db2.gz OMUBJTGCUMENDW-HRDYMLBCSA-N 0 1 291.329 -0.808 20 5 CBBDMN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000376189392 353772626 /nfs/dbraw/zinc/77/26/26/353772626.db2.gz SMSGCLMWHYFIJJ-KXNHARMFSA-N 0 1 283.328 -0.027 20 5 CBBDMN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000376189393 353772743 /nfs/dbraw/zinc/77/27/43/353772743.db2.gz SMSGCLMWHYFIJJ-NOOOWODRSA-N 0 1 283.328 -0.027 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CCO2)n[nH]1 ZINC000374146281 353742308 /nfs/dbraw/zinc/74/23/08/353742308.db2.gz RPSGQQOLHGGQHW-CIUDSAMLSA-N 0 1 281.272 -0.322 20 5 CBBDMN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)[nH]1 ZINC000374146281 353742311 /nfs/dbraw/zinc/74/23/11/353742311.db2.gz RPSGQQOLHGGQHW-CIUDSAMLSA-N 0 1 281.272 -0.322 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405303586 353807150 /nfs/dbraw/zinc/80/71/50/353807150.db2.gz JUIQRXQUZXIXBQ-VHSXEESVSA-N 0 1 280.284 -0.186 20 5 CBBDMN CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000408143694 353857702 /nfs/dbraw/zinc/85/77/02/353857702.db2.gz BHJUDWJGLBATRW-UHFFFAOYSA-N 0 1 281.272 -0.069 20 5 CBBDMN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000417908857 353985414 /nfs/dbraw/zinc/98/54/14/353985414.db2.gz JCXNBYBHJOUPFS-SECBINFHSA-N 0 1 282.304 -0.205 20 5 CBBDMN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1 ZINC000446439208 354287468 /nfs/dbraw/zinc/28/74/68/354287468.db2.gz VWKIWXDUOPALAB-ZETCQYMHSA-N 0 1 253.262 -0.238 20 5 CBBDMN CN1CCO[C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C[C@@H]21 ZINC000377962106 283009294 /nfs/dbraw/zinc/00/92/94/283009294.db2.gz CNXOEUFAWXDNMJ-AATLWQCWSA-N 0 1 255.274 -0.807 20 5 CBBDMN O=C(NC1=NCC(=O)N1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000542802750 354633401 /nfs/dbraw/zinc/63/34/01/354633401.db2.gz LFLJXTWJQVXAFW-UHFFFAOYSA-N 0 1 264.197 -0.484 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc[nH]n2)c1 ZINC000566107673 354752527 /nfs/dbraw/zinc/75/25/27/354752527.db2.gz PLYVDKUPPRNMNY-SNVBAGLBSA-N 0 1 266.261 -0.335 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191613 354989596 /nfs/dbraw/zinc/98/95/96/354989596.db2.gz QCRCCEUNBDZOIE-RQJHMYQMSA-N 0 1 291.333 -0.175 20 5 CBBDMN CCOC(=O)C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000590384666 355077140 /nfs/dbraw/zinc/07/71/40/355077140.db2.gz PHIDTROSKMDABZ-ZCFIWIBFSA-N 0 1 286.244 -0.638 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000588805594 355061320 /nfs/dbraw/zinc/06/13/20/355061320.db2.gz NYOIQAVDBLPAGQ-ZETCQYMHSA-N 0 1 281.272 -0.036 20 5 CBBDMN Cc1n[nH]c(C(=O)N[C@H](CO)CN2CCCC2)c1[N+](=O)[O-] ZINC000588867576 355061874 /nfs/dbraw/zinc/06/18/74/355061874.db2.gz XLEWPKZLXYROJP-VIFPVBQESA-N 0 1 297.315 -0.187 20 5 CBBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592553357 355162601 /nfs/dbraw/zinc/16/26/01/355162601.db2.gz JUXMRWJNWOMBIE-QMMMGPOBSA-N 0 1 297.271 -0.705 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000592383325 355150468 /nfs/dbraw/zinc/15/04/68/355150468.db2.gz NMVHJRBDTNHTQJ-KNVOCYPGSA-N 0 1 289.317 -0.421 20 5 CBBDMN O=C(NCC[C@]1(O)CCCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000593881535 355225608 /nfs/dbraw/zinc/22/56/08/355225608.db2.gz JCSIHSXYWZIIKS-LLVKDONJSA-N 0 1 284.272 -0.021 20 5 CBBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393780 355245052 /nfs/dbraw/zinc/24/50/52/355245052.db2.gz PQLNSIBDYNZFOS-WDEREUQCSA-N 0 1 292.295 -0.119 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387567 355245429 /nfs/dbraw/zinc/24/54/29/355245429.db2.gz UMCCZNYOHCVIDG-JGVFFNPUSA-N 0 1 281.272 -0.791 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387567 355245432 /nfs/dbraw/zinc/24/54/32/355245432.db2.gz UMCCZNYOHCVIDG-JGVFFNPUSA-N 0 1 281.272 -0.791 20 5 CBBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594387567 355245435 /nfs/dbraw/zinc/24/54/35/355245435.db2.gz UMCCZNYOHCVIDG-JGVFFNPUSA-N 0 1 281.272 -0.791 20 5 CBBDMN NC(=O)[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOC1 ZINC000594402759 355245995 /nfs/dbraw/zinc/24/59/95/355245995.db2.gz RJWCMPFTQDHKQC-GFCCVEGCSA-N 0 1 295.251 -0.325 20 5 CBBDMN COC(=O)[C@@H](CCF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593794092 355219205 /nfs/dbraw/zinc/21/92/05/355219205.db2.gz FKPAQMQJDFXOBZ-RXMQYKEDSA-N 0 1 274.208 -0.051 20 5 CBBDMN COC(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594746257 355259961 /nfs/dbraw/zinc/25/99/61/355259961.db2.gz NPVOJKTVQVIONA-UHFFFAOYSA-N 0 1 289.269 -0.169 20 5 CBBDMN C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(N)=O ZINC000594741775 355260220 /nfs/dbraw/zinc/26/02/20/355260220.db2.gz GFBHQIYXPFJRGB-RXMQYKEDSA-N 0 1 274.258 -0.858 20 5 CBBDMN NC(=O)C1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594760542 355260796 /nfs/dbraw/zinc/26/07/96/355260796.db2.gz QLBWUDYQFFMSFP-UHFFFAOYSA-N 0 1 286.269 -0.714 20 5 CBBDMN C[C@H](CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761150 355261003 /nfs/dbraw/zinc/26/10/03/355261003.db2.gz GQOZYGPRZLQJLZ-ZETCQYMHSA-N 0 1 275.286 -0.104 20 5 CBBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)C1(O)CNC1 ZINC000595924980 355319273 /nfs/dbraw/zinc/31/92/73/355319273.db2.gz LSQXNIXVXBIAOW-UHFFFAOYSA-N 0 1 251.242 -0.455 20 5 CBBDMN Cc1nc(CC(=O)NCCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000597410446 355385447 /nfs/dbraw/zinc/38/54/47/355385447.db2.gz MXWRJCBVRXNUNI-UHFFFAOYSA-N 0 1 279.260 -0.423 20 5 CBBDMN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCOC2(C[NH2+]C2)C1 ZINC000596581565 355359026 /nfs/dbraw/zinc/35/90/26/355359026.db2.gz ZZQRQACGZKFIBZ-UHFFFAOYSA-N 0 1 266.257 -0.263 20 5 CBBDMN COC(=O)[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598516029 355442952 /nfs/dbraw/zinc/44/29/52/355442952.db2.gz QXNIOUBVPBQMBV-IZLXSQMJSA-N 0 1 268.229 -0.001 20 5 CBBDMN CN1CC2(C1)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000597571414 355396806 /nfs/dbraw/zinc/39/68/06/355396806.db2.gz IMAFMBXGZLCPTC-UHFFFAOYSA-N 0 1 280.288 -0.650 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C[NH3+])n1 ZINC000599097050 355463618 /nfs/dbraw/zinc/46/36/18/355463618.db2.gz DMSRSQGLARCNRW-UHFFFAOYSA-N 0 1 277.306 -0.656 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(F)(F)C[NH3+])n1 ZINC000599099814 355464208 /nfs/dbraw/zinc/46/42/08/355464208.db2.gz DBCTWZYRVFPBAX-UHFFFAOYSA-N 0 1 299.259 -0.799 20 5 CBBDMN O=C(NC[C@@H]1COCCN1)Nc1ccncc1[N+](=O)[O-] ZINC000599614948 355504292 /nfs/dbraw/zinc/50/42/92/355504292.db2.gz WPIQFYQSCJRZIB-MRVPVSSYSA-N 0 1 281.272 -0.478 20 5 CBBDMN NC(=O)c1ccnc(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199648 355472088 /nfs/dbraw/zinc/47/20/88/355472088.db2.gz OKHIAWRGIODUPT-QMMMGPOBSA-N 0 1 295.299 -0.433 20 5 CBBDMN COC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599210256 355472559 /nfs/dbraw/zinc/47/25/59/355472559.db2.gz SMZSWTBWLNBDGR-YFKPBYRVSA-N 0 1 292.273 -0.832 20 5 CBBDMN COCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599211786 355473063 /nfs/dbraw/zinc/47/30/63/355473063.db2.gz UUZFCNPPWLPTPT-UHFFFAOYSA-N 0 1 264.263 -0.747 20 5 CBBDMN CN(C)CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247504 355473940 /nfs/dbraw/zinc/47/39/40/355473940.db2.gz CRDBJNKWTJNTSD-UHFFFAOYSA-N 0 1 291.333 -0.490 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(CO)CC2)n1 ZINC000599248742 355474094 /nfs/dbraw/zinc/47/40/94/355474094.db2.gz NPULPZNVLSBLCA-UHFFFAOYSA-N 0 1 290.301 -0.621 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000599294312 355477758 /nfs/dbraw/zinc/47/77/58/355477758.db2.gz FXZYJVPUGSBRPR-BDINMYNLSA-N 0 1 288.285 -0.749 20 5 CBBDMN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600217240 355530020 /nfs/dbraw/zinc/53/00/20/355530020.db2.gz UWTVJKZQZDWUDC-BQBZGAKWSA-N 0 1 270.245 -0.942 20 5 CBBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000600530517 355556858 /nfs/dbraw/zinc/55/68/58/355556858.db2.gz HPSVCSDIFGLSFQ-MRVPVSSYSA-N 0 1 268.273 -0.281 20 5 CBBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000600530517 355556862 /nfs/dbraw/zinc/55/68/62/355556862.db2.gz HPSVCSDIFGLSFQ-MRVPVSSYSA-N 0 1 268.273 -0.281 20 5 CBBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600530431 355557047 /nfs/dbraw/zinc/55/70/47/355557047.db2.gz BBSARXISUJYFPT-SSDOTTSWSA-N 0 1 269.261 -0.886 20 5 CBBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600530431 355557051 /nfs/dbraw/zinc/55/70/51/355557051.db2.gz BBSARXISUJYFPT-SSDOTTSWSA-N 0 1 269.261 -0.886 20 5 CBBDMN C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C ZINC000602124189 355631831 /nfs/dbraw/zinc/63/18/31/355631831.db2.gz KWWTXXOKQAFZJI-MRVPVSSYSA-N 0 1 255.278 -0.142 20 5 CBBDMN CN(CC(=O)N1CCNCC1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603427306 355715327 /nfs/dbraw/zinc/71/53/27/355715327.db2.gz CNDAXULGBMICGA-UHFFFAOYSA-N 0 1 296.331 -0.808 20 5 CBBDMN C[C@H]1CN(CCO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836476 355674624 /nfs/dbraw/zinc/67/46/24/355674624.db2.gz FNYYOBGENQHBFX-JTQLQIEISA-N 0 1 283.332 -0.173 20 5 CBBDMN CCNC(=O)CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000604547160 355725961 /nfs/dbraw/zinc/72/59/61/355725961.db2.gz LPGNDQWVSVBWQR-UHFFFAOYSA-N 0 1 269.261 -0.166 20 5 CBBDMN O=C(NC(CO)CO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611288089 355799908 /nfs/dbraw/zinc/79/99/08/355799908.db2.gz LJZSLAUTBGZKRZ-UHFFFAOYSA-N 0 1 280.240 -0.446 20 5 CBBDMN CCN1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC000619825592 356229366 /nfs/dbraw/zinc/22/93/66/356229366.db2.gz UJUQCBVGZHAODP-ZCFIWIBFSA-N 0 1 267.245 -0.332 20 5 CBBDMN CN1C[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000375409372 283217155 /nfs/dbraw/zinc/21/71/55/283217155.db2.gz SZYWXUBXGHSOMW-DOLQZWNJSA-N 0 1 267.285 -0.269 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@@H]2O)c1[N+](=O)[O-] ZINC000342469815 216363039 /nfs/dbraw/zinc/36/30/39/216363039.db2.gz QUPHYVJWVWKJOG-RQJHMYQMSA-N 0 1 270.245 -0.542 20 5 CBBDMN O=C(NC[C@@H](O)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000344063770 217033331 /nfs/dbraw/zinc/03/33/31/217033331.db2.gz QPALHYOFSZFJQU-SCSAIBSYSA-N 0 1 268.151 -0.029 20 5 CBBDMN CN1CCN(C)[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285817223 372944365 /nfs/dbraw/zinc/94/43/65/372944365.db2.gz GPWVMDZOBSJADD-MRVPVSSYSA-N 0 1 282.304 -0.707 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1CN1CCn2c(=O)[nH]nc2C1 ZINC000331943072 373000313 /nfs/dbraw/zinc/00/03/13/373000313.db2.gz XXMRPUKJUWBHTD-UHFFFAOYSA-N 0 1 279.260 -0.359 20 5 CBBDMN CN(C[C@@H](O)CO)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000355612649 373138152 /nfs/dbraw/zinc/13/81/52/373138152.db2.gz GLNHYCDMLMUZQS-MRVPVSSYSA-N 0 1 294.267 -0.104 20 5 CBBDMN COC(=O)C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000344868925 217338201 /nfs/dbraw/zinc/33/82/01/217338201.db2.gz BCNLCSLJYFFRRR-LLVKDONJSA-N 0 1 298.255 -0.230 20 5 CBBDMN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CC1[N+](=O)[O-] ZINC000361775030 373335475 /nfs/dbraw/zinc/33/54/75/373335475.db2.gz NFSKCCUAOBTDIV-UTLUCORTSA-N 0 1 286.284 -0.310 20 5 CBBDMN NC(=O)c1[nH]nnc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000362413211 373404620 /nfs/dbraw/zinc/40/46/20/373404620.db2.gz WYSVQGOCYCKAIH-UHFFFAOYSA-N 0 1 290.239 -0.007 20 5 CBBDMN CNC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000344976048 217375350 /nfs/dbraw/zinc/37/53/50/217375350.db2.gz MNGHCZUGJQLWKA-ZETCQYMHSA-N 0 1 296.287 -0.230 20 5 CBBDMN Cn1cc(N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2=O)cn1 ZINC000363601241 373501421 /nfs/dbraw/zinc/50/14/21/373501421.db2.gz UZRIUPCQTYCNIY-VHSXEESVSA-N 0 1 293.283 -0.740 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000365347668 373523286 /nfs/dbraw/zinc/52/32/86/373523286.db2.gz JYMIXQNZRJJHPM-HRDYMLBCSA-N 0 1 276.314 -0.455 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374115959 248839818 /nfs/dbraw/zinc/83/98/18/248839818.db2.gz VGKULFRSMYXPPS-BZNPZCIMSA-N 0 1 253.258 -0.611 20 5 CBBDMN CNC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000267242054 190314762 /nfs/dbraw/zinc/31/47/62/190314762.db2.gz QTCNNVNGPNGHHH-UHFFFAOYSA-N 0 1 296.287 -0.276 20 5 CBBDMN CCOC(=O)[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356940598 535472283 /nfs/dbraw/zinc/47/22/83/535472283.db2.gz WNXXAVLAHAPCIQ-SNVBAGLBSA-N 0 1 298.251 -0.046 20 5 CBBDMN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000443037011 208376318 /nfs/dbraw/zinc/37/63/18/208376318.db2.gz NATAQSVIVWLPNO-IYSWYEEDSA-N 0 1 267.245 -0.428 20 5 CBBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000278659509 285165387 /nfs/dbraw/zinc/16/53/87/285165387.db2.gz HTICRBQHTSHOIZ-JLLWLGSASA-N 0 1 298.295 -0.628 20 5 CBBDMN COC(=O)CSCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270681629 533580482 /nfs/dbraw/zinc/58/04/82/533580482.db2.gz CPCJDGJBORILPL-UHFFFAOYSA-N 0 1 288.285 -0.046 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c1[N+](=O)[O-] ZINC000494681768 533662784 /nfs/dbraw/zinc/66/27/84/533662784.db2.gz MILJGHMVXWVYGB-SVRRBLITSA-N 0 1 284.272 -0.152 20 5 CBBDMN CN1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000285751243 196387926 /nfs/dbraw/zinc/38/79/26/196387926.db2.gz LMHDYKWURQAWEF-ZJUUUORDSA-N 0 1 295.299 -0.137 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@]12CCOC2 ZINC000367010903 226380588 /nfs/dbraw/zinc/38/05/88/226380588.db2.gz OHKTZPWWIGWEKH-FXPVBKGRSA-N 0 1 256.258 -0.331 20 5 CBBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCc1nn[nH]n1 ZINC000044928486 419436044 /nfs/dbraw/zinc/43/60/44/419436044.db2.gz BLDVADPCHXXVKB-UHFFFAOYSA-N 0 1 278.228 -0.197 20 5 CBBDMN Cc1n[nH]c(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000358607396 419908116 /nfs/dbraw/zinc/90/81/16/419908116.db2.gz KKWHHRIMUCFFCQ-UHFFFAOYSA-N 0 1 293.287 -0.033 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]12CCOC2=O ZINC000364449547 420039568 /nfs/dbraw/zinc/03/95/68/420039568.db2.gz VESWVXVPZKFKQD-SOCHQFKDSA-N 0 1 254.242 -0.040 20 5 CBBDMN C[C@@H](CO)N1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000364932885 420051291 /nfs/dbraw/zinc/05/12/91/420051291.db2.gz FOJZWLILKJADPY-VIFPVBQESA-N 0 1 297.315 -0.153 20 5 CBBDMN CCOC(=O)C1(F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000367272436 420100348 /nfs/dbraw/zinc/10/03/48/420100348.db2.gz UACHHEWEGYZELB-RQJHMYQMSA-N 0 1 260.221 -0.235 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](N2CCNC2=O)C1 ZINC000368803205 420144430 /nfs/dbraw/zinc/14/44/30/420144430.db2.gz BJOKRZCEPZOAKC-OPRDCNLKSA-N 0 1 282.300 -0.332 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](N2CCNC2=O)C1 ZINC000368803204 420144760 /nfs/dbraw/zinc/14/47/60/420144760.db2.gz BJOKRZCEPZOAKC-IVZWLZJFSA-N 0 1 282.300 -0.332 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2CCN3CCOC[C@@H]3C2)n1 ZINC000368834847 420145037 /nfs/dbraw/zinc/14/50/37/420145037.db2.gz POWISWZEWLFXQG-NSHDSACASA-N 0 1 281.316 -0.192 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)cn1 ZINC000370242257 420175868 /nfs/dbraw/zinc/17/58/68/420175868.db2.gz ICGBXHDIFCXYNH-AXFHLTTASA-N 0 1 280.284 -0.015 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370248802 420176047 /nfs/dbraw/zinc/17/60/47/420176047.db2.gz CNDPRVWBCDGJNP-KDXUFGMBSA-N 0 1 272.257 -0.560 20 5 CBBDMN Cc1nn(C)c(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405268951 420226038 /nfs/dbraw/zinc/22/60/38/420226038.db2.gz NNFNMGWPMSUWPV-VHSXEESVSA-N 0 1 281.316 -0.108 20 5 CBBDMN Cn1c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405232266 420227420 /nfs/dbraw/zinc/22/74/20/420227420.db2.gz REUNRYRYSLCKPA-VHSXEESVSA-N 0 1 294.311 -0.176 20 5 CBBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)CN1CCO ZINC000419007288 420244267 /nfs/dbraw/zinc/24/42/67/420244267.db2.gz RICBERHOTZAWQF-RKDXNWHRSA-N 0 1 296.331 -0.142 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000377830221 230301787 /nfs/dbraw/zinc/30/17/87/230301787.db2.gz BVQHQYMTGJYAQS-KKOKHZNYSA-N 0 1 283.328 -0.169 20 5 CBBDMN Nc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000594601631 420486139 /nfs/dbraw/zinc/48/61/39/420486139.db2.gz FEPNHGKIEVSLPW-JGVFFNPUSA-N 0 1 280.288 -0.778 20 5 CBBDMN O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)nc1 ZINC000599175649 420491442 /nfs/dbraw/zinc/49/14/42/420491442.db2.gz GRYQBCGUTGSLJF-SNVBAGLBSA-N 0 1 252.274 0.468 20 5 CBBDMN O=C([C@H]1CNCCO1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000424173984 275009350 /nfs/dbraw/zinc/00/93/50/275009350.db2.gz OVQMEVIFPKFMHN-GFCCVEGCSA-N 0 1 292.295 -0.137 20 5 CBBDMN NC(=O)[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375445544 303305473 /nfs/dbraw/zinc/30/54/73/303305473.db2.gz AGJRXUVCAHRFMZ-BDVNFPICSA-N 0 1 295.217 -0.226 20 5 CBBDMN CC[C@H]1CN(C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000563645578 328080800 /nfs/dbraw/zinc/08/08/00/328080800.db2.gz FGGUXFZLCYBBMW-VIFPVBQESA-N 0 1 282.304 -0.261 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000583001317 329300592 /nfs/dbraw/zinc/30/05/92/329300592.db2.gz JWGFWPWZTVJDPL-UHFFFAOYSA-N 0 1 277.244 -0.135 20 5 CBBDMN COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000571880954 329927655 /nfs/dbraw/zinc/92/76/55/329927655.db2.gz RLMHDKPVICHTSZ-UHFFFAOYSA-N 0 1 284.272 -0.339 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370248801 536531666 /nfs/dbraw/zinc/53/16/66/536531666.db2.gz CNDPRVWBCDGJNP-JBDRJPRFSA-N 0 1 272.257 -0.560 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCCNC(=O)C2)c1[N+](=O)[O-] ZINC000726800330 582138436 /nfs/dbraw/zinc/13/84/36/582138436.db2.gz DZDQQUDJXZOWFN-UHFFFAOYSA-N 0 1 267.245 -0.412 20 5 CBBDMN O=C(NN1CC(=O)NC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780321206 582363835 /nfs/dbraw/zinc/36/38/35/582363835.db2.gz BCFIDBWLWLIGIA-UHFFFAOYSA-N 0 1 280.196 -0.503 20 5 CBBDMN COC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000780677428 582364377 /nfs/dbraw/zinc/36/43/77/582364377.db2.gz VRXXRFNXEFWLAE-VIFPVBQESA-N 0 1 283.240 -0.470 20 5 CBBDMN NC(=O)[C@@]1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473212 582386128 /nfs/dbraw/zinc/38/61/28/582386128.db2.gz IDTPJSZXMPDCNK-DGCLKSJQSA-N 0 1 295.295 -0.450 20 5 CBBDMN CC1(C)COC(=O)[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000816583906 582477388 /nfs/dbraw/zinc/47/73/88/582477388.db2.gz WQJMYUIOSGNTQY-ZETCQYMHSA-N 0 1 268.229 -0.001 20 5 CBBDMN C[N@@H+](CCC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818463014 582508106 /nfs/dbraw/zinc/50/81/06/582508106.db2.gz JPPOBRQMQRZTSW-SECBINFHSA-N 0 1 272.261 -0.441 20 5 CBBDMN O=C([O-])[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819240061 582529739 /nfs/dbraw/zinc/52/97/39/582529739.db2.gz GWEMNWRLLBZVFZ-NXEZZACHSA-N 0 1 284.272 -0.299 20 5 CBBDMN CCn1nc(C)c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000819603713 582537397 /nfs/dbraw/zinc/53/73/97/582537397.db2.gz VOHVYJJQKBDQEG-VXNVDRBHSA-N 0 1 253.262 -0.112 20 5 CBBDMN O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000823477446 582670506 /nfs/dbraw/zinc/67/05/06/582670506.db2.gz CCBFLXFFNLWQGI-NXEZZACHSA-N 0 1 288.267 -0.056 20 5 CBBDMN O=C([O-])[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000833188897 583058608 /nfs/dbraw/zinc/05/86/08/583058608.db2.gz JTBLLPQIBMAMPA-KOLCDFICSA-N 0 1 298.299 -0.051 20 5 CBBDMN CC(C)N1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839631845 583156930 /nfs/dbraw/zinc/15/69/30/583156930.db2.gz MZMXGZOIKJIUML-DJLDLDEBSA-N 0 1 255.274 -0.223 20 5 CBBDMN CC1(C)CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839620287 583156956 /nfs/dbraw/zinc/15/69/56/583156956.db2.gz KEHPVSSMXJHXPP-NXEZZACHSA-N 0 1 271.317 -0.121 20 5 CBBDMN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839662153 583157338 /nfs/dbraw/zinc/15/73/38/583157338.db2.gz VSWPFBLMUNIKSQ-OPRDCNLKSA-N 0 1 257.290 -0.823 20 5 CBBDMN CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839646043 583157459 /nfs/dbraw/zinc/15/74/59/583157459.db2.gz HAFVGYFCKKVAHJ-IWSPIJDZSA-N 0 1 255.274 -0.365 20 5 CBBDMN CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839675658 583157643 /nfs/dbraw/zinc/15/76/43/583157643.db2.gz HNTGTUJKAKPRSI-HRDYMLBCSA-N 0 1 255.274 -0.269 20 5 CBBDMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1(=O)=O ZINC000839686138 583157663 /nfs/dbraw/zinc/15/76/63/583157663.db2.gz LEVBBTKQBUVKIH-JQCXWYLXSA-N 0 1 276.314 -0.314 20 5 CBBDMN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683248 583157720 /nfs/dbraw/zinc/15/77/20/583157720.db2.gz DWSANYFLCMECER-IWSPIJDZSA-N 0 1 278.330 -0.067 20 5 CBBDMN O=C(NCCOC[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839684393 583157774 /nfs/dbraw/zinc/15/77/74/583157774.db2.gz WADRXXOHBVFLNU-OPRDCNLKSA-N 0 1 258.274 -0.037 20 5 CBBDMN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000839698536 583158055 /nfs/dbraw/zinc/15/80/55/583158055.db2.gz PQFVZCJCZARULR-GJMOJQLCSA-N 0 1 269.257 -0.696 20 5 CBBDMN COCCCOC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839696379 583158146 /nfs/dbraw/zinc/15/81/46/583158146.db2.gz KFMYUXQDGRVFPJ-NXEZZACHSA-N 0 1 258.274 -0.085 20 5 CBBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1OC ZINC000839724771 583158450 /nfs/dbraw/zinc/15/84/50/583158450.db2.gz CSHPZMLPAYNRSM-ZOZBQHSOSA-N 0 1 258.274 -0.040 20 5 CBBDMN CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725624 583158506 /nfs/dbraw/zinc/15/85/06/583158506.db2.gz HWBUHFLABZYUFF-DNSOKLHBSA-N 0 1 288.300 -0.140 20 5 CBBDMN COC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839734575 583158703 /nfs/dbraw/zinc/15/87/03/583158703.db2.gz SKHHXFGGWYOEEC-ZYUZMQFOSA-N 0 1 258.274 -0.086 20 5 CBBDMN COC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839734573 583158714 /nfs/dbraw/zinc/15/87/14/583158714.db2.gz SKHHXFGGWYOEEC-SGIHWFKDSA-N 0 1 258.274 -0.086 20 5 CBBDMN O=C(NC1CC1)N[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839725704 583158763 /nfs/dbraw/zinc/15/87/63/583158763.db2.gz ISWOPQALMZMREA-IVZWLZJFSA-N 0 1 282.300 -0.286 20 5 CBBDMN NC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840311781 583163810 /nfs/dbraw/zinc/16/38/10/583163810.db2.gz XXFIPQLFWXHKPW-IWSPIJDZSA-N 0 1 270.289 -0.299 20 5 CBBDMN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840378250 583164407 /nfs/dbraw/zinc/16/44/07/583164407.db2.gz CKYXTOAKPWOBBZ-UYXSQOIJSA-N 0 1 255.274 -0.188 20 5 CBBDMN CCS(=O)(=O)NCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670936 583166226 /nfs/dbraw/zinc/16/62/26/583166226.db2.gz NMBYCTANJVQNLZ-HTQZYQBOSA-N 0 1 280.302 -0.476 20 5 CBBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NC1CC1 ZINC000840672352 583166350 /nfs/dbraw/zinc/16/63/50/583166350.db2.gz JUXMRZMKCUAIIN-RNFRBKRXSA-N 0 1 271.229 -0.817 20 5 CBBDMN COCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672664 583166523 /nfs/dbraw/zinc/16/65/23/583166523.db2.gz KOWAVFWXZNVPQN-DJLDLDEBSA-N 0 1 274.273 -0.264 20 5 CBBDMN O=C(CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)NCCO ZINC000843072081 583199852 /nfs/dbraw/zinc/19/98/52/583199852.db2.gz TWEUVTOFSAUUGL-LLVKDONJSA-N 0 1 283.284 -0.674 20 5 CBBDMN O=C(Nc1ccc(=O)n(CCO)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000844089786 583250312 /nfs/dbraw/zinc/25/03/12/583250312.db2.gz RTQJYBSJPRYYEJ-RKDXNWHRSA-N 0 1 267.241 -0.556 20 5 CBBDMN Cn1nnc2c1CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000847199295 583400466 /nfs/dbraw/zinc/40/04/66/583400466.db2.gz RPMVOSYJAMNEPD-BRDIYROLSA-N 0 1 265.273 -0.546 20 5 CBBDMN COCc1ncc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(N)n1 ZINC000848105136 583428359 /nfs/dbraw/zinc/42/83/59/583428359.db2.gz JYUGSFNBLVHLSY-HTQZYQBOSA-N 0 1 281.272 -0.513 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000848129660 583429474 /nfs/dbraw/zinc/42/94/74/583429474.db2.gz SPDAIKILPVOQMB-DJLDLDEBSA-N 0 1 255.274 -0.269 20 5 CBBDMN NC(=O)c1cnn(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000851498897 583515776 /nfs/dbraw/zinc/51/57/76/583515776.db2.gz DITQRWSDDNEGCR-HTQZYQBOSA-N 0 1 268.229 -0.810 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](N2CCOCC2)C1 ZINC000854727734 583617511 /nfs/dbraw/zinc/61/75/11/583617511.db2.gz BMGSVOONVGHNKA-IJLUTSLNSA-N 0 1 283.328 -0.025 20 5 CBBDMN COC(=O)C12CC(C1)CN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855524042 583643282 /nfs/dbraw/zinc/64/32/82/583643282.db2.gz WBQZZMGXTNXSKG-YFHNAJJPSA-N 0 1 254.242 -0.184 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000855676975 583646879 /nfs/dbraw/zinc/64/68/79/583646879.db2.gz MQPQOIZAKIGRHC-ZYUZMQFOSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C(N[C@H]1CCn2cncc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000857942553 583685385 /nfs/dbraw/zinc/68/53/85/583685385.db2.gz XOMQDDROJOOKLK-FXBDTBDDSA-N 0 1 250.258 -0.021 20 5 CBBDMN CCOC(=O)C[C@H](O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000859720829 583728213 /nfs/dbraw/zinc/72/82/13/583728213.db2.gz WHOHUWWBLCPRAR-XLPZGREQSA-N 0 1 261.230 -0.491 20 5 CBBDMN O=C(N[C@@H]1CCN(C2CCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863834643 583859743 /nfs/dbraw/zinc/85/97/43/583859743.db2.gz DLUAXRFHBAMZOT-OPRDCNLKSA-N 0 1 267.285 -0.079 20 5 CBBDMN CO[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000870528102 584015597 /nfs/dbraw/zinc/01/55/97/584015597.db2.gz VAGDUHGMUYIVPM-CDLYGTGVSA-N 0 1 258.274 -0.350 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCNC(=O)CC12CCC2 ZINC000874920898 584096659 /nfs/dbraw/zinc/09/66/59/584096659.db2.gz NVGILNNYCJQVPI-RKDXNWHRSA-N 0 1 267.285 -0.077 20 5 CBBDMN CO[C@H]1COCC[C@@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882373865 584316206 /nfs/dbraw/zinc/31/62/06/584316206.db2.gz CDLRPPDXEANKBE-RGOKHQFPSA-N 0 1 258.274 -0.086 20 5 CBBDMN CCN1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000882486658 584318531 /nfs/dbraw/zinc/31/85/31/584318531.db2.gz UKVMTYQEZNTCCQ-SNVBAGLBSA-N 0 1 294.311 -0.033 20 5 CBBDMN COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2C[C@H]21 ZINC000886405801 584439172 /nfs/dbraw/zinc/43/91/72/584439172.db2.gz XUZSPSMCQFYKKM-PIAOCPBHSA-N 0 1 268.269 -0.035 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CN(C)CCN1C ZINC000892467662 584617020 /nfs/dbraw/zinc/61/70/20/584617020.db2.gz KCARCXMSNOFGQK-SECBINFHSA-N 0 1 268.321 -0.014 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1NCCN1CC[C@@H](O)C1 ZINC000894782787 584664376 /nfs/dbraw/zinc/66/43/76/584664376.db2.gz ZRORAGZNRIWIST-MRVPVSSYSA-N 0 1 255.278 -0.193 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1NCCN1CC[C@H](O)C1 ZINC000894833816 584665500 /nfs/dbraw/zinc/66/55/00/584665500.db2.gz ZRORAGZNRIWIST-QMMMGPOBSA-N 0 1 255.278 -0.193 20 5 CBBDMN CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978796193 614068696 /nfs/dbraw/zinc/06/86/96/614068696.db2.gz QLTXULDKNIOGLV-UTINFBMNSA-N 0 1 255.274 -0.318 20 5 CBBDMN CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976000676 614458291 /nfs/dbraw/zinc/45/82/91/614458291.db2.gz JOSQXNNMAKHYHE-DZEUPHNYSA-N 0 1 267.285 -0.365 20 5 CBBDMN CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000959768951 614824803 /nfs/dbraw/zinc/82/48/03/614824803.db2.gz FTKBHGWZUHOQEJ-LMLFDSFASA-N 0 1 281.312 -0.022 20 5 CBBDMN CN(C(=O)c1ccon1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953817127 615918494 /nfs/dbraw/zinc/91/84/94/615918494.db2.gz AEMYSXGHCBMALF-PSASIEDQSA-N 0 1 294.267 -0.377 20 5 CBBDMN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)CCO)c1 ZINC000062351212 656033817 /nfs/dbraw/zinc/03/38/17/656033817.db2.gz FQEMGCHNAGYCOB-LBPRGKRZSA-N 0 1 270.285 -0.085 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccnnc1 ZINC001000466574 656719613 /nfs/dbraw/zinc/71/96/13/656719613.db2.gz MVPNHXUKTHOANT-NXEZZACHSA-N 0 1 291.267 -0.918 20 5 CBBDMN CN(C)C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000908786660 656759875 /nfs/dbraw/zinc/75/98/75/656759875.db2.gz QRNFTUWGQMXUNK-NXEZZACHSA-N 0 1 284.316 -0.086 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cocn1 ZINC001001189009 656801747 /nfs/dbraw/zinc/80/17/47/656801747.db2.gz LDOVRFHVYTVDDY-PSASIEDQSA-N 0 1 294.267 -0.472 20 5 CBBDMN O=C(NC1CCN(Cc2cnon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788058 656840833 /nfs/dbraw/zinc/84/08/33/656840833.db2.gz MKJWKMQOAIBHOY-GHMZBOCLSA-N 0 1 295.299 -0.185 20 5 CBBDMN CN1C[C@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000927738017 658946628 /nfs/dbraw/zinc/94/66/28/658946628.db2.gz CHKHVFNODYXLED-IWSPIJDZSA-N 0 1 255.274 -0.364 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCN1C ZINC000928563818 659044930 /nfs/dbraw/zinc/04/49/30/659044930.db2.gz SKEKOPRGDJKZQU-VIFPVBQESA-N 0 1 267.289 -0.080 20 5 CBBDMN CC[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928646338 659056891 /nfs/dbraw/zinc/05/68/91/659056891.db2.gz JWOQEGDVBGHJIE-HBNTYKKESA-N 0 1 271.317 -0.121 20 5 CBBDMN CCN1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000928867070 659071688 /nfs/dbraw/zinc/07/16/88/659071688.db2.gz KNOPHERFFONDJY-HRDYMLBCSA-N 0 1 255.274 -0.221 20 5 CBBDMN Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC000990493250 659750144 /nfs/dbraw/zinc/75/01/44/659750144.db2.gz QIUQTSPJWKHPHK-PSASIEDQSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC=CC1 ZINC000990571776 659762637 /nfs/dbraw/zinc/76/26/37/659762637.db2.gz IHRKDQWCOHAAEZ-GHMZBOCLSA-N 0 1 279.296 -0.055 20 5 CBBDMN O=C(NC1CN(C(=O)c2cn[nH]c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991282196 659829696 /nfs/dbraw/zinc/82/96/96/659829696.db2.gz YFNCEZRRXHKXCX-RKDXNWHRSA-N 0 1 279.256 -0.985 20 5 CBBDMN Cc1ncoc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279116 659829904 /nfs/dbraw/zinc/82/99/04/659829904.db2.gz JFGDDQOZLHTIIF-RKDXNWHRSA-N 0 1 294.267 -0.411 20 5 CBBDMN O=C(NC1CN(C(=O)c2cocn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991280314 659829949 /nfs/dbraw/zinc/82/99/49/659829949.db2.gz OTFSPIAXMNQSRL-VXNVDRBHSA-N 0 1 280.240 -0.720 20 5 CBBDMN CC1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991290831 659830264 /nfs/dbraw/zinc/83/02/64/659830264.db2.gz PHYYWCXUGNAGQV-RKDXNWHRSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C(Cc1ccc[nH]1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000992618218 659858727 /nfs/dbraw/zinc/85/87/27/659858727.db2.gz SXIVLLFRSALHID-GHMZBOCLSA-N 0 1 292.295 -0.451 20 5 CBBDMN COc1nc(N2C[C@H]3OCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164667108 719368736 /nfs/dbraw/zinc/36/87/36/719368736.db2.gz IBYMRGQTPSWDLP-NXEZZACHSA-N 0 1 295.299 -0.087 20 5 CBBDMN CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001164672010 719370833 /nfs/dbraw/zinc/37/08/33/719370833.db2.gz XXMQVJFCOCXTHX-GHMZBOCLSA-N 0 1 280.284 -0.253 20 5 CBBDMN COc1ncnc(N2C[C@@H]3[C@H](C2)OCCN3C)c1[N+](=O)[O-] ZINC001164668471 719394166 /nfs/dbraw/zinc/39/41/66/719394166.db2.gz RTOJSIBSYSFHIA-BDAKNGLRSA-N 0 1 295.299 -0.087 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@@H](CO)C1 ZINC000687591236 790654119 /nfs/dbraw/zinc/65/41/19/790654119.db2.gz VHXYEQALXIIYKC-LLVKDONJSA-N 0 1 283.332 -0.292 20 5 CBBDMN CCN(C(=O)C(F)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079185961 805896855 /nfs/dbraw/zinc/89/68/55/805896855.db2.gz PINJCKHPRIJISO-HTQZYQBOSA-N 0 1 291.254 -0.024 20 5 CBBDMN CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079249281 805900897 /nfs/dbraw/zinc/90/08/97/805900897.db2.gz AAOOYVFEHDQXTA-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN O=C(NC1CN(Cc2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292308 799290410 /nfs/dbraw/zinc/29/04/10/799290410.db2.gz CDNXMPPIJSRQFF-NXEZZACHSA-N 0 1 277.284 -0.558 20 5 CBBDMN Cc1nnc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001030292789 799290585 /nfs/dbraw/zinc/29/05/85/799290585.db2.gz VVCVZRMDDYUPTQ-RKDXNWHRSA-N 0 1 297.340 -0.188 20 5 CBBDMN CCc1noc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030294093 799291618 /nfs/dbraw/zinc/29/16/18/799291618.db2.gz XOAXYMWZCWGEHV-RKDXNWHRSA-N 0 1 295.299 -0.402 20 5 CBBDMN Cn1nccc1CCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292790 799291858 /nfs/dbraw/zinc/29/18/58/799291858.db2.gz VWGXEOZHCQLHPG-VXGBXAGGSA-N 0 1 293.327 -0.572 20 5 CBBDMN O=C(NCC1CN(Cc2nncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662340 799530332 /nfs/dbraw/zinc/53/03/32/799530332.db2.gz CCUHYIUFNGUAIH-RKDXNWHRSA-N 0 1 297.340 -0.249 20 5 CBBDMN Cc1noc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042705838 801511102 /nfs/dbraw/zinc/51/11/02/801511102.db2.gz ZFSMKCPIEWSHNL-NXEZZACHSA-N 0 1 295.299 -0.314 20 5 CBBDMN CNC(=O)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144214082 814774196 /nfs/dbraw/zinc/77/41/96/814774196.db2.gz PJGFDOVUAHOWHG-UHFFFAOYSA-N 0 1 255.234 -0.426 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCCCc1nc[nH]n1 ZINC001325105167 804241578 /nfs/dbraw/zinc/24/15/78/804241578.db2.gz WZDPYAUZTXXAMU-UHFFFAOYSA-N 0 1 279.260 -0.191 20 5 CBBDMN COCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062395959 805010098 /nfs/dbraw/zinc/01/00/98/805010098.db2.gz WLUUNMOBMBUQTJ-RKDXNWHRSA-N 0 1 285.300 -0.547 20 5 CBBDMN CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074379184 805446305 /nfs/dbraw/zinc/44/63/05/805446305.db2.gz CAXSDXQPXFWGHQ-NXEZZACHSA-N 0 1 285.300 -0.859 20 5 CBBDMN O=C1NC(=O)[C@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])S1 ZINC001155837099 815316642 /nfs/dbraw/zinc/31/66/42/815316642.db2.gz JKEKYNUTCDOMAZ-SSDOTTSWSA-N 0 1 270.226 -0.051 20 5 CBBDMN COc1ncnc(-n2c(C)ncc(CN)c2=N)c1[N+](=O)[O-] ZINC001156829724 815383191 /nfs/dbraw/zinc/38/31/91/815383191.db2.gz UIJKQYGNPUHCBP-UHFFFAOYSA-N 0 1 291.271 -0.174 20 5 CBBDMN O=C(NCCNc1ccc([N+](=O)[O-])cn1)c1ncn[nH]1 ZINC001093793304 810682470 /nfs/dbraw/zinc/68/24/70/810682470.db2.gz MUUHPEKKCUPGPF-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN O=C(NCCNc1ccc([N+](=O)[O-])cn1)c1nc[nH]n1 ZINC001093793304 810682473 /nfs/dbraw/zinc/68/24/73/810682473.db2.gz MUUHPEKKCUPGPF-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN O=C(NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cnn[nH]1 ZINC001094256745 810707288 /nfs/dbraw/zinc/70/72/88/810707288.db2.gz HGQQCGIOPSTWGK-UHFFFAOYSA-N 0 1 293.243 -0.345 20 5 CBBDMN Cc1nc(Cl)c([N+](=O)[O-])c(-n2nnnc2CN)n1 ZINC001158075421 815502016 /nfs/dbraw/zinc/50/20/16/815502016.db2.gz YVLGOTMWXKKQFJ-UHFFFAOYSA-N 0 1 270.640 -0.219 20 5 CBBDMN NCc1nnnn1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158077481 815502535 /nfs/dbraw/zinc/50/25/35/815502535.db2.gz ROWGPFOSOLEEBN-UHFFFAOYSA-N 0 1 271.624 -0.684 20 5 CBBDMN CCOC(=O)c1ccnc(-n2nnnc2CN)c1[N+](=O)[O-] ZINC001158080763 815502614 /nfs/dbraw/zinc/50/26/14/815502614.db2.gz YZUJDMMDNPVOSB-UHFFFAOYSA-N 0 1 293.243 -0.399 20 5 CBBDMN O=C(NC[C@H](O)C1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116413643 812256485 /nfs/dbraw/zinc/25/64/85/812256485.db2.gz RQSRQQKTCAORRA-VIFPVBQESA-N 0 1 284.272 -0.165 20 5 CBBDMN Cc1nc2n(n1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC001116415422 812257307 /nfs/dbraw/zinc/25/73/07/812257307.db2.gz UUTAJIMMDXYKHE-ZETCQYMHSA-N 0 1 291.271 -0.037 20 5 CBBDMN CC(C)S(=O)(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001117644415 812426319 /nfs/dbraw/zinc/42/63/19/812426319.db2.gz KRQXPEVCYKSXON-UHFFFAOYSA-N 0 1 290.301 -0.129 20 5 CBBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001117737925 812441275 /nfs/dbraw/zinc/44/12/75/812441275.db2.gz XUVQGWJHZHOZTB-BDAKNGLRSA-N 0 1 295.299 -0.401 20 5 CBBDMN C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001118492255 812558841 /nfs/dbraw/zinc/55/88/41/812558841.db2.gz IFUCSKBVQGZUSL-WCABBAIRSA-N 0 1 298.299 -0.053 20 5 CBBDMN COC[C@@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001119041854 812696715 /nfs/dbraw/zinc/69/67/15/812696715.db2.gz JAHXCQUSODXGPZ-SECBINFHSA-N 0 1 258.234 -0.555 20 5 CBBDMN NC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001127058663 813709522 /nfs/dbraw/zinc/70/95/22/813709522.db2.gz ACIAPDLBLVKILM-VXNVDRBHSA-N 0 1 264.241 -0.538 20 5 CBBDMN CNC(=O)[C@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001128414845 813773699 /nfs/dbraw/zinc/77/36/99/813773699.db2.gz RTWWPGVVKUPRPP-SOCHQFKDSA-N 0 1 255.274 -0.364 20 5 CBBDMN CC(C)(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC001129942305 813882750 /nfs/dbraw/zinc/88/27/50/813882750.db2.gz PTAOESIJVWAIDW-HTQZYQBOSA-N 0 1 278.330 -0.019 20 5 CBBDMN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001131770165 814065836 /nfs/dbraw/zinc/06/58/36/814065836.db2.gz XRPVUQGKGIUPCT-OUAUKWLOSA-N 0 1 297.311 -0.452 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1c1ncon1 ZINC001137552954 814585848 /nfs/dbraw/zinc/58/58/48/814585848.db2.gz IJRFVCJNVNFGQI-PRJMDXOYSA-N 0 1 268.229 -0.365 20 5 CBBDMN O=C(N[C@H]1CCNC(=O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001142586097 814720307 /nfs/dbraw/zinc/72/03/07/814720307.db2.gz WKRKNDGISDHIMH-ZCFIWIBFSA-N 0 1 267.245 -0.284 20 5 CBBDMN C[S@@](=O)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001147484536 814895532 /nfs/dbraw/zinc/89/55/32/814895532.db2.gz OGKRQWSBFUMYHG-QVMDTKBZSA-N 0 1 289.357 -0.826 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1nnc[nH]1 ZINC001292148404 816442346 /nfs/dbraw/zinc/44/23/46/816442346.db2.gz CDLNBWMJMMFYNY-UHFFFAOYSA-N 0 1 251.206 -0.624 20 5 CBBDMN Cc1cncc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001292607096 816471755 /nfs/dbraw/zinc/47/17/55/816471755.db2.gz HIOYFDNXUUOZQX-GHMZBOCLSA-N 0 1 292.295 -0.099 20 5 CBBDMN CCc1nc[nH]c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292717568 816482448 /nfs/dbraw/zinc/48/24/48/816482448.db2.gz IEKHVEHBPLEDDJ-VXNVDRBHSA-N 0 1 295.299 -0.517 20 5 CBBDMN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293965376 816530591 /nfs/dbraw/zinc/53/05/91/816530591.db2.gz KTNKSSWFEJZBEH-BMYQGPEFSA-N 0 1 296.283 -0.854 20 5 CBBDMN Cc1noc(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001297431470 816643997 /nfs/dbraw/zinc/64/39/97/816643997.db2.gz DXUHXCIOBOFFTD-HTQZYQBOSA-N 0 1 252.230 -0.031 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](CO)[C@H](O)C1 ZINC001299170755 816713426 /nfs/dbraw/zinc/71/34/26/816713426.db2.gz RLDVJOWFVHTFNS-LDYMZIIASA-N 0 1 282.252 -0.274 20 5 CBBDMN O=C(N[C@H](CO)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001299580930 816729207 /nfs/dbraw/zinc/72/92/07/816729207.db2.gz UESBHHKORATMON-OPRDCNLKSA-N 0 1 251.242 -0.104 20 5 CBBDMN CCCn1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001303248357 816764339 /nfs/dbraw/zinc/76/43/39/816764339.db2.gz KOQPYVHJCRIARS-RKDXNWHRSA-N 0 1 253.262 -0.031 20 5 CBBDMN Cn1cc(C(=O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001304245665 816783105 /nfs/dbraw/zinc/78/31/05/816783105.db2.gz DHBQNFDTKQGUOM-HTQZYQBOSA-N 0 1 252.230 -0.616 20 5 CBBDMN O=C(NCc1cc(=O)c(O)co1)[C@@H]1CC1[N+](=O)[O-] ZINC001304514978 816784324 /nfs/dbraw/zinc/78/43/24/816784324.db2.gz LVOSURNCIHKZMY-RNFRBKRXSA-N 0 1 254.198 -0.373 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](CO)[C@H](CCO)C1 ZINC001305755553 816789063 /nfs/dbraw/zinc/78/90/63/816789063.db2.gz YNQDSOXUMMCKSQ-ZYUZMQFOSA-N 0 1 258.274 -0.899 20 5 CBBDMN Cc1nc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC001306903888 816793967 /nfs/dbraw/zinc/79/39/67/816793967.db2.gz SMQMIDAXMHVCRQ-UHFFFAOYSA-N 0 1 279.260 -0.007 20 5 CBBDMN COc1cc([N+](=O)[O-])cn(Cc2nnc[nH]2)c1=O ZINC001307378609 816802284 /nfs/dbraw/zinc/80/22/84/816802284.db2.gz DAUHDNZJFRXXNQ-UHFFFAOYSA-N 0 1 251.202 -0.069 20 5 CBBDMN CCCNC(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448668 816983335 /nfs/dbraw/zinc/98/33/35/816983335.db2.gz XGEYQONGQXKGEG-NXEZZACHSA-N 0 1 286.332 -0.774 20 5 CBBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nncn1C ZINC001319729657 817237065 /nfs/dbraw/zinc/23/70/65/817237065.db2.gz PPLADCPHNFPFAN-YFKPBYRVSA-N 0 1 265.233 -0.063 20 5 CBBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1nnc[nH]1 ZINC001320128118 817280883 /nfs/dbraw/zinc/28/08/83/817280883.db2.gz NUVIGGIJOQNJPV-UHFFFAOYSA-N 0 1 265.233 -0.384 20 5 CBBDMN CC(C)(CS(C)(=O)=O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268910490 827438346 /nfs/dbraw/zinc/43/83/46/827438346.db2.gz NERMQFMDWVDOPN-RNFRBKRXSA-N 0 1 264.303 -0.409 20 5 CBBDMN O=C1NCCN(c2ncc(Cl)cc2[N+](=O)[O-])C12CNC2 ZINC001165297794 819950770 /nfs/dbraw/zinc/95/07/70/819950770.db2.gz LDJHNFFBRYXWSC-UHFFFAOYSA-N 0 1 297.702 -0.079 20 5 CBBDMN COc1nc(N2CCNC(=O)C23CNC3)ccc1[N+](=O)[O-] ZINC001165298506 819953387 /nfs/dbraw/zinc/95/33/87/819953387.db2.gz WWKXBPHCYMNKNW-UHFFFAOYSA-N 0 1 293.283 -0.723 20 5 CBBDMN COC(=O)[C@@H]1CNCCN1c1cccc([N+](=O)[O-])n1 ZINC001165436196 819961403 /nfs/dbraw/zinc/96/14/03/819961403.db2.gz IMFYHZYDKSSISE-QMMMGPOBSA-N 0 1 266.257 -0.059 20 5 CBBDMN CS(=O)(=O)N(c1ncc([N+](=O)[O-])cc1F)C1CNC1 ZINC001166969852 820057479 /nfs/dbraw/zinc/05/74/79/820057479.db2.gz YUSRHGXOJVGCSD-UHFFFAOYSA-N 0 1 290.276 -0.133 20 5 CBBDMN CC(=O)Nc1ccc(-n2nnnc2CN)cc1[N+](=O)[O-] ZINC001168924708 820194579 /nfs/dbraw/zinc/19/45/79/820194579.db2.gz PXMONLYJDAEJCX-UHFFFAOYSA-N 0 1 277.244 -0.012 20 5 CBBDMN NC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040200 820201404 /nfs/dbraw/zinc/20/14/04/820201404.db2.gz YRALAMBUAXGTTR-BBBLOLIVSA-N 0 1 257.290 -0.382 20 5 CBBDMN NC(=O)[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040199 820201944 /nfs/dbraw/zinc/20/19/44/820201944.db2.gz YRALAMBUAXGTTR-AEJSXWLSSA-N 0 1 257.290 -0.382 20 5 CBBDMN NC(=O)c1nc(NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001170036268 820274594 /nfs/dbraw/zinc/27/45/94/820274594.db2.gz WXFFCRDBUCNPMK-SSDOTTSWSA-N 0 1 281.272 -0.511 20 5 CBBDMN Cc1cnn(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001282930803 828473796 /nfs/dbraw/zinc/47/37/96/828473796.db2.gz PEJHKFKRNIEREH-NXEZZACHSA-N 0 1 295.299 -0.911 20 5 CBBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc[nH]c1 ZINC001283005637 828489667 /nfs/dbraw/zinc/48/96/67/828489667.db2.gz WUWFCWDQUJQSAV-RKDXNWHRSA-N 0 1 266.257 -0.474 20 5 CBBDMN COCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284074602 828567400 /nfs/dbraw/zinc/56/74/00/828567400.db2.gz OOEVPHATUAVOOO-BZNPZCIMSA-N 0 1 271.273 -0.939 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ncccn2)n1 ZINC001194365381 824071778 /nfs/dbraw/zinc/07/17/78/824071778.db2.gz OGBALNUBSNICGW-UHFFFAOYSA-N 0 1 298.284 -0.403 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(C(N)=O)CCOC1 ZINC001195559474 824123076 /nfs/dbraw/zinc/12/30/76/824123076.db2.gz UDADJNPAMFYQER-NSHDSACASA-N 0 1 283.288 -0.666 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CCN[C@]1(C(N)=O)CCOC1 ZINC001195559472 824123566 /nfs/dbraw/zinc/12/35/66/824123566.db2.gz UDADJNPAMFYQER-LLVKDONJSA-N 0 1 283.288 -0.666 20 5 CBBDMN C[N@@H+]1CCO[C@@H](COc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226332490 825275394 /nfs/dbraw/zinc/27/53/94/825275394.db2.gz VLXHBIZYQDDGTG-SSDOTTSWSA-N 0 1 270.245 -0.200 20 5 CBBDMN C[N@H+]1CCO[C@@H](COc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226332490 825275402 /nfs/dbraw/zinc/27/54/02/825275402.db2.gz VLXHBIZYQDDGTG-SSDOTTSWSA-N 0 1 270.245 -0.200 20 5 CBBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc[n-]c1=O ZINC001227049089 825295219 /nfs/dbraw/zinc/29/52/19/825295219.db2.gz QHOLELCNVZIBGS-MRVPVSSYSA-O 0 1 256.282 -0.455 20 5 CBBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CC(N)=O)C(N)=O ZINC001254550045 825965016 /nfs/dbraw/zinc/96/50/16/825965016.db2.gz ZQDDBZOEFPKVCI-SCZZXKLOSA-N 0 1 294.311 -0.155 20 5 CBBDMN O=C(N[C@]1(CCO)CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC001255999291 825997289 /nfs/dbraw/zinc/99/72/89/825997289.db2.gz QJFJAYPCUFGHPV-SNVBAGLBSA-N 0 1 270.245 -0.411 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCOC2)n1 ZINC001261793387 826581101 /nfs/dbraw/zinc/58/11/01/826581101.db2.gz HBKIWQJQMMPHBO-SSDOTTSWSA-N 0 1 290.301 -0.357 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001264375558 826806430 /nfs/dbraw/zinc/80/64/30/826806430.db2.gz HVOAOIQQZGKCMA-IVZWLZJFSA-N 0 1 288.325 -0.170 20 5 CBBDMN Cc1noc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001268544075 827360847 /nfs/dbraw/zinc/36/08/47/827360847.db2.gz YWLUOLYPLWRJIU-HLKOZVMDSA-N 0 1 295.299 -0.195 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CCCC2=O)C1 ZINC001269092540 827463265 /nfs/dbraw/zinc/46/32/65/827463265.db2.gz CLHBIBFPIBOQSJ-IVZWLZJFSA-N 0 1 267.285 -0.125 20 5 CBBDMN CN(Cc1nnc[nH]1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001341048173 889536752 /nfs/dbraw/zinc/53/67/52/889536752.db2.gz DUNTXCZCILBKLW-UHFFFAOYSA-N 0 1 251.206 -0.292 20 5 CBBDMN O=C(Cc1nnc[nH]1)NCCn1cc([N+](=O)[O-])cn1 ZINC001445716788 912751525 /nfs/dbraw/zinc/75/15/25/912751525.db2.gz YVZXRKIXCWKKQY-UHFFFAOYSA-N 0 1 265.233 -0.732 20 5 CBBDMN O=C(NCC1(O)CN(C(=O)C2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976606 884625167 /nfs/dbraw/zinc/62/51/67/884625167.db2.gz LDLGAKNJRCSIGL-NXEZZACHSA-N 0 1 297.311 -0.859 20 5 CBBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C[C@@H]2CO)c1 ZINC001175678146 884695055 /nfs/dbraw/zinc/69/50/55/884695055.db2.gz MLDUXHNVKMTHGO-MWLCHTKSSA-N 0 1 268.273 -0.615 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2COCCN2)n1 ZINC001325894989 884840225 /nfs/dbraw/zinc/84/02/25/884840225.db2.gz CVRUOWBFOVAVIR-SSDOTTSWSA-N 0 1 294.271 -0.091 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@H+]2CC[C@H]1C2 ZINC001328329447 885639131 /nfs/dbraw/zinc/63/91/31/885639131.db2.gz WNYMLDQXWPLCEV-QMMMGPOBSA-N 0 1 266.261 -0.897 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2CC[C@H]1C2 ZINC001328329447 885639135 /nfs/dbraw/zinc/63/91/35/885639135.db2.gz WNYMLDQXWPLCEV-QMMMGPOBSA-N 0 1 266.261 -0.897 20 5 CBBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CC[C@@H](O)C1 ZINC001329111509 885932768 /nfs/dbraw/zinc/93/27/68/885932768.db2.gz RORDOGYCJGSCEH-MRVPVSSYSA-N 0 1 283.288 -0.875 20 5 CBBDMN CNC(=O)[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426494 886064228 /nfs/dbraw/zinc/06/42/28/886064228.db2.gz FCVKEUXMLHPVTD-MNOVXSKESA-N 0 1 283.284 -0.675 20 5 CBBDMN O=C(NC1(CCO)CN(CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001329656879 886162799 /nfs/dbraw/zinc/16/27/99/886162799.db2.gz SSSJFVFTRBJKCL-RKDXNWHRSA-N 0 1 275.280 -0.826 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC001329925437 886284041 /nfs/dbraw/zinc/28/40/41/886284041.db2.gz QGVCGHOWLOEPRP-DTWKUNHWSA-N 0 1 295.299 -0.781 20 5 CBBDMN O=C(N[C@@H](CCO)C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001447410639 913076003 /nfs/dbraw/zinc/07/60/03/913076003.db2.gz FPLYHDIHTUBSLA-OUAUKWLOSA-N 0 1 272.301 -0.055 20 5 CBBDMN CC(C)CNC(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001336413528 888758015 /nfs/dbraw/zinc/75/80/15/888758015.db2.gz SPGDDYNIZKZSCQ-UHFFFAOYSA-N 0 1 269.261 -0.180 20 5 CBBDMN O=C(N[C@@H]1CCCS(=O)(=O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001341368549 889584158 /nfs/dbraw/zinc/58/41/58/889584158.db2.gz BOVYTVRFGJRUPR-ZCFIWIBFSA-N 0 1 288.285 -0.375 20 5 CBBDMN COCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001344191993 890010656 /nfs/dbraw/zinc/01/06/56/890010656.db2.gz ZQEPHMWAERXCBJ-UTINFBMNSA-N 0 1 285.300 -0.691 20 5 CBBDMN O=C(Cn1ccc([N+](=O)[O-])n1)OCc1nnc[nH]1 ZINC001346724788 890347489 /nfs/dbraw/zinc/34/74/89/890347489.db2.gz DIRVDRKKMMDUIM-UHFFFAOYSA-N 0 1 252.190 -0.347 20 5 CBBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001350847554 891057136 /nfs/dbraw/zinc/05/71/36/891057136.db2.gz PUOGBBVGWHOIDP-UWVGGRQHSA-N 0 1 286.288 -0.053 20 5 CBBDMN COCCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001350866443 891058271 /nfs/dbraw/zinc/05/82/71/891058271.db2.gz ZURMMYALXZIDAA-GHMZBOCLSA-N 0 1 299.327 -0.205 20 5 CBBDMN CCCOCC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355500245 891683771 /nfs/dbraw/zinc/68/37/71/891683771.db2.gz JASPDSFNHVFUJC-NXEZZACHSA-N 0 1 287.316 -0.347 20 5 CBBDMN COCCCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356811636 891813981 /nfs/dbraw/zinc/81/39/81/891813981.db2.gz ZUNQXNSMWVBBMG-GHMZBOCLSA-N 0 1 299.327 -0.347 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC001451184182 913777565 /nfs/dbraw/zinc/77/75/65/913777565.db2.gz LYSJYSDCOZFMIO-HTQZYQBOSA-N 0 1 298.299 -0.134 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001452859435 914044395 /nfs/dbraw/zinc/04/43/95/914044395.db2.gz DJHDKYYFDSHWSZ-JQCXWYLXSA-N 0 1 269.257 -0.392 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](O)c1cnc[nH]1 ZINC001455749878 914405729 /nfs/dbraw/zinc/40/57/29/914405729.db2.gz SCHBXLUPELBOQX-SECBINFHSA-N 0 1 294.271 -0.327 20 5 CBBDMN CCOC(=O)CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])COC1 ZINC001456770712 914511173 /nfs/dbraw/zinc/51/11/73/914511173.db2.gz PBIWLUCTFRQSHL-UHFFFAOYSA-N 0 1 298.255 -0.230 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(N2CCn3c(n[nH]c3=O)C2)n1 ZINC001458305422 914638914 /nfs/dbraw/zinc/63/89/14/914638914.db2.gz MFECWCMGLBBYCN-UHFFFAOYSA-N 0 1 265.233 -0.354 20 5 CBBDMN CCOCCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506268988 921564849 /nfs/dbraw/zinc/56/48/49/921564849.db2.gz LAHKZSBUTVHTJH-GHMZBOCLSA-N 0 1 299.327 -0.253 20 5 CBBDMN Cc1nc([C@H]2COCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001435864853 910410260 /nfs/dbraw/zinc/41/02/60/910410260.db2.gz BVAGVBOTEDQHRQ-IWSPIJDZSA-N 0 1 282.256 -0.057 20 5 CBBDMN CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001436449859 910448952 /nfs/dbraw/zinc/44/89/52/910448952.db2.gz PRYMWZNDCFMDBS-IWSPIJDZSA-N 0 1 276.314 -0.455 20 5 CBBDMN CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001464433967 914980451 /nfs/dbraw/zinc/98/04/51/914980451.db2.gz YHXCXBNKSGXMHK-DJLDLDEBSA-N 0 1 291.329 -0.808 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](O)[C@H](CO)C1 ZINC001473538951 915833716 /nfs/dbraw/zinc/83/37/16/915833716.db2.gz ZVCKJVAZXZSONQ-ONGXEEELSA-N 0 1 283.284 -0.959 20 5 CBBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncnn1C ZINC001482596139 917175778 /nfs/dbraw/zinc/17/57/78/917175778.db2.gz HSAPZIAIPPLBLJ-NXEZZACHSA-N 0 1 296.331 -0.630 20 5 CBBDMN Cc1nccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001491281616 919103794 /nfs/dbraw/zinc/10/37/94/919103794.db2.gz DEWZWZODCZISPK-PSASIEDQSA-N 0 1 293.283 -0.704 20 5 CBBDMN CCn1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001491282161 919104938 /nfs/dbraw/zinc/10/49/38/919104938.db2.gz GXFZWUAAZXYSJB-PSASIEDQSA-N 0 1 295.299 -0.586 20 5 CBBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnon1 ZINC001492249959 919377818 /nfs/dbraw/zinc/37/78/18/919377818.db2.gz MOZHOWGLGAVOOT-RKDXNWHRSA-N 0 1 269.261 -0.717 20 5 CBBDMN CN(CCNC(=O)c1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001495899815 919982766 /nfs/dbraw/zinc/98/27/66/919982766.db2.gz GAKBBCZRWTXSIP-PSASIEDQSA-N 0 1 295.299 -0.727 20 5 CBBDMN CC(C)OCC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501722053 921055874 /nfs/dbraw/zinc/05/58/74/921055874.db2.gz CQNZUPNCMDBSLS-ANDSXOESSA-N 0 1 299.327 -0.135 20 5 CBBDMN COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC1 ZINC001511849851 922155052 /nfs/dbraw/zinc/15/50/52/922155052.db2.gz CGOSQGAJENBIIU-GHMZBOCLSA-N 0 1 299.327 -0.347 20 5 CBBDMN CS(=O)(=O)CCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001517778514 922259203 /nfs/dbraw/zinc/25/92/03/922259203.db2.gz VLKVTOBKULLASJ-RKDXNWHRSA-N 0 1 278.330 -0.017 20 5 CBBDMN COCCc1noc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001518054736 922259880 /nfs/dbraw/zinc/25/98/80/922259880.db2.gz DKPLEHJPWYIXTE-HTQZYQBOSA-N 0 1 284.272 -0.118 20 5 CBBDMN O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CC1[N+](=O)[O-] ZINC001521562724 922368903 /nfs/dbraw/zinc/36/89/03/922368903.db2.gz WFTMTFLAXOZKGO-BWZBUEFSSA-N 0 1 262.287 -0.655 20 5 CBBDMN C[C@H]1c2nncn2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528934552 922860964 /nfs/dbraw/zinc/86/09/64/922860964.db2.gz TVVZDJLHOALJOG-XLPZGREQSA-N 0 1 251.246 -0.154 20 5 CBBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(F)F ZINC001535075126 923176361 /nfs/dbraw/zinc/17/63/61/923176361.db2.gz JPHVKNFBYOYTTK-PHDIDXHHSA-N 0 1 277.227 -0.318 20 5 CBBDMN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001544139076 923301203 /nfs/dbraw/zinc/30/12/03/923301203.db2.gz JHNYCYIFKPTNEV-WCBMZHEXSA-N 0 1 296.331 -0.318 20 5 CBBDMN Cc1nncn1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001544209584 923303400 /nfs/dbraw/zinc/30/34/00/923303400.db2.gz IQZNXFZLAOWGAM-UHFFFAOYSA-N 0 1 265.233 -0.352 20 5 CBBDMN COC(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001556611609 924068477 /nfs/dbraw/zinc/06/84/77/924068477.db2.gz YJALYILTFFUKCO-UHFFFAOYSA-N 0 1 257.206 -0.596 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001557576272 924124410 /nfs/dbraw/zinc/12/44/10/924124410.db2.gz AVCUOINVEHENRM-RDDDGLTNSA-N 0 1 284.272 -0.416 20 5 CBBDMN O=C(N[C@@H]1COC[C@@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001557857640 924140720 /nfs/dbraw/zinc/14/07/20/924140720.db2.gz VEKRCTCHWNVRHI-ZJUUUORDSA-N 0 1 292.251 -0.039 20 5 CBBDMN NC(=O)CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338892181 214826534 /nfs/dbraw/zinc/82/65/34/214826534.db2.gz OBUFCWHALGHVIV-UHFFFAOYSA-N 0 1 294.311 -0.097 20 5 CBBDMN CCCc1[nH]nc(C(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000109336718 186249300 /nfs/dbraw/zinc/24/93/00/186249300.db2.gz PJPBSSXFEGJZNU-UHFFFAOYSA-N 0 1 281.272 -0.158 20 5 CBBDMN Cc1c(NC(=O)CNC(=O)CN)cccc1[N+](=O)[O-] ZINC000037629041 351400965 /nfs/dbraw/zinc/40/09/65/351400965.db2.gz SUORBHJUSDYVMZ-UHFFFAOYSA-N 0 1 266.257 -0.083 20 5 CBBDMN Cc1ccc(NC(=O)CNC(=O)CN)cc1[N+](=O)[O-] ZINC000037623289 351401372 /nfs/dbraw/zinc/40/13/72/351401372.db2.gz SEWGLEVZBLPGCE-UHFFFAOYSA-N 0 1 266.257 -0.083 20 5 CBBDMN CC(=O)N1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000044383776 351445222 /nfs/dbraw/zinc/44/52/22/351445222.db2.gz GQADLXJNBMXHQG-VHSXEESVSA-N 0 1 255.274 -0.268 20 5 CBBDMN O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCNCC1 ZINC000040507977 351416792 /nfs/dbraw/zinc/41/67/92/351416792.db2.gz JKFOIGPUSWFUAZ-UHFFFAOYSA-N 0 1 281.272 -0.916 20 5 CBBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NCCCc1nc[nH]n1 ZINC000080567431 351698671 /nfs/dbraw/zinc/69/86/71/351698671.db2.gz SMJWRNRXTDHBAT-UHFFFAOYSA-N 0 1 279.260 -0.342 20 5 CBBDMN CC(C)N(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611833 351668666 /nfs/dbraw/zinc/66/86/66/351668666.db2.gz XDNRFQSHILCMKE-SNVBAGLBSA-N 0 1 285.304 -0.652 20 5 CBBDMN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)CCO ZINC000090525923 351741480 /nfs/dbraw/zinc/74/14/80/351741480.db2.gz DYUFEDDGVXPIAD-UHFFFAOYSA-N 0 1 271.273 -0.957 20 5 CBBDMN CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646079 352049970 /nfs/dbraw/zinc/04/99/70/352049970.db2.gz SGSIOASESQLBHR-LBPRGKRZSA-N 0 1 283.332 -0.210 20 5 CBBDMN O=[N+]([O-])c1ccn(CCN2C[C@H](O)C[C@@H]2CO)n1 ZINC000185175823 352116626 /nfs/dbraw/zinc/11/66/26/352116626.db2.gz LJWMXKDUIBZBJP-RKDXNWHRSA-N 0 1 256.262 -0.781 20 5 CBBDMN CC(C)(C(=O)N1CCNCC1)n1cc([N+](=O)[O-])cn1 ZINC000236691841 352292267 /nfs/dbraw/zinc/29/22/67/352292267.db2.gz GGZQRMDKJXTTQI-UHFFFAOYSA-N 0 1 267.289 -0.042 20 5 CBBDMN CN(C)C1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000270696196 352498309 /nfs/dbraw/zinc/49/83/09/352498309.db2.gz ANMFBAJMXRVNNK-UHFFFAOYSA-N 0 1 265.273 -0.161 20 5 CBBDMN C[NH+](C)C[C@@](C)(O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274985108 352550158 /nfs/dbraw/zinc/55/01/58/352550158.db2.gz QKVXFJZCKSVQRD-LBPRGKRZSA-N 0 1 298.299 -0.262 20 5 CBBDMN NC(=O)COCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272655145 352522540 /nfs/dbraw/zinc/52/25/40/352522540.db2.gz FZAKKGWOWHFJDL-UHFFFAOYSA-N 0 1 283.240 -0.468 20 5 CBBDMN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000295492127 352706255 /nfs/dbraw/zinc/70/62/55/352706255.db2.gz OQJLZTJYLVXWJY-SECBINFHSA-N 0 1 297.315 -0.106 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CC(=O)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000295828693 352707557 /nfs/dbraw/zinc/70/75/57/352707557.db2.gz CMGBGWPDGZZASV-ZCFIWIBFSA-N 0 1 281.272 -0.159 20 5 CBBDMN C[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000299497809 352723778 /nfs/dbraw/zinc/72/37/78/352723778.db2.gz JYRMMUJUHQJGJY-UHFFFAOYSA-N 0 1 294.311 -0.033 20 5 CBBDMN C[C@H](O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331193393 352890627 /nfs/dbraw/zinc/89/06/27/352890627.db2.gz WXTKMRKFQBTXFL-JTQLQIEISA-N 0 1 283.332 -0.173 20 5 CBBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC ZINC000152727694 188039122 /nfs/dbraw/zinc/03/91/22/188039122.db2.gz PTJXVVTVGSQBTO-RXMQYKEDSA-N 0 1 256.218 -0.001 20 5 CBBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN[C@H](C)C1 ZINC000155081893 188181341 /nfs/dbraw/zinc/18/13/41/188181341.db2.gz DOMTVSKALZADEV-MRVPVSSYSA-N 0 1 267.289 -0.080 20 5 CBBDMN COCCOCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343325647 353268236 /nfs/dbraw/zinc/26/82/36/353268236.db2.gz SWGDNVNUZDIRRL-UHFFFAOYSA-N 0 1 258.234 -0.289 20 5 CBBDMN COCC[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344007419 353302303 /nfs/dbraw/zinc/30/23/03/353302303.db2.gz CSGQERHRDYEQNA-SNVBAGLBSA-N 0 1 272.261 -0.165 20 5 CBBDMN CCOC(=O)[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345411927 353329065 /nfs/dbraw/zinc/32/90/65/353329065.db2.gz JMAGAMIPAPJYNN-SNVBAGLBSA-N 0 1 286.244 -0.638 20 5 CBBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000345875974 353352264 /nfs/dbraw/zinc/35/22/64/353352264.db2.gz YRSIXYFNEVFIFN-SSDOTTSWSA-N 0 1 297.271 -0.793 20 5 CBBDMN CN(C)C(=O)NCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000348917685 353441110 /nfs/dbraw/zinc/44/11/10/353441110.db2.gz JHTIHBAOAOKHJP-UHFFFAOYSA-N 0 1 284.320 -0.006 20 5 CBBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1nn[nH]n1 ZINC000350099044 353471680 /nfs/dbraw/zinc/47/16/80/353471680.db2.gz MMHNZQIAFAXXLO-UHFFFAOYSA-N 0 1 250.178 -0.663 20 5 CBBDMN Cc1nn(C)c(C(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000353084080 353520083 /nfs/dbraw/zinc/52/00/83/353520083.db2.gz DYZXSEYUJWFIDD-UHFFFAOYSA-N 0 1 253.262 -0.318 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-]CC[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000353217285 353527996 /nfs/dbraw/zinc/52/79/96/353527996.db2.gz LSOMSFULBUVWNR-ZETCQYMHSA-N 0 1 291.333 -0.173 20 5 CBBDMN C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000365330398 353673922 /nfs/dbraw/zinc/67/39/22/353673922.db2.gz LDZWIWWRNABQNF-VGMNWLOBSA-N 0 1 276.314 -0.313 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1Cn1cncn1 ZINC000370979320 353693763 /nfs/dbraw/zinc/69/37/63/353693763.db2.gz NHCDKTHUVZQZAE-BBBLOLIVSA-N 0 1 265.273 -0.066 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1 ZINC000374961006 353751359 /nfs/dbraw/zinc/75/13/59/353751359.db2.gz DWMKKGZNQAJDGC-IVZWLZJFSA-N 0 1 255.274 -0.805 20 5 CBBDMN O=C(NCc1nnc2n1CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC000375460107 353761117 /nfs/dbraw/zinc/76/11/17/353761117.db2.gz VFSNCIBSDFHVHT-RQJHMYQMSA-N 0 1 267.245 -0.910 20 5 CBBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC[C@]2(CNC(=O)O2)C1 ZINC000375542009 353762857 /nfs/dbraw/zinc/76/28/57/353762857.db2.gz RWZJREHODKCRLU-LAEOZQHASA-N 0 1 269.257 -0.247 20 5 CBBDMN CC(C)(O)c1cn(C2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000375776088 353767406 /nfs/dbraw/zinc/76/74/06/353767406.db2.gz FTJSGFAZYHKOJS-IUCAKERBSA-N 0 1 295.299 -0.446 20 5 CBBDMN Cc1nc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)no1 ZINC000375777209 353767533 /nfs/dbraw/zinc/76/75/33/353767533.db2.gz HQFCXRIVXMNKRG-YIZRAAEISA-N 0 1 282.256 -0.057 20 5 CBBDMN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376151417 353772288 /nfs/dbraw/zinc/77/22/88/353772288.db2.gz OMUBJTGCUMENDW-IWSPIJDZSA-N 0 1 291.329 -0.808 20 5 CBBDMN Cc1nc2n(n1)CCN(C(=O)[C@H]1CC1[N+](=O)[O-])C2 ZINC000377963121 353779567 /nfs/dbraw/zinc/77/95/67/353779567.db2.gz NPSGVMWWUKJETI-YUMQZZPRSA-N 0 1 251.246 -0.406 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374115967 353741413 /nfs/dbraw/zinc/74/14/13/353741413.db2.gz VGKULFRSMYXPPS-LURQLKTLSA-N 0 1 253.258 -0.611 20 5 CBBDMN CN1CCO[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]21 ZINC000377962109 283008035 /nfs/dbraw/zinc/00/80/35/283008035.db2.gz CNXOEUFAWXDNMJ-DOLQZWNJSA-N 0 1 255.274 -0.807 20 5 CBBDMN C[C@H]1CN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000534272151 354596739 /nfs/dbraw/zinc/59/67/39/354596739.db2.gz UEMJUSUVIMCYOF-QMMMGPOBSA-N 0 1 283.288 -0.232 20 5 CBBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)NCC(F)(F)CO ZINC000545219577 354644687 /nfs/dbraw/zinc/64/46/87/354644687.db2.gz JMWCGBACSRMDLO-UHFFFAOYSA-N 0 1 297.239 -0.104 20 5 CBBDMN CO[C@@H]1C[C@@H](C(=O)[O-])[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000568067125 354809671 /nfs/dbraw/zinc/80/96/71/354809671.db2.gz MXEDICLMCNDOBQ-BDAKNGLRSA-N 0 1 284.272 -0.035 20 5 CBBDMN CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191610 354989866 /nfs/dbraw/zinc/98/98/66/354989866.db2.gz QCRCCEUNBDZOIE-BQBZGAKWSA-N 0 1 291.333 -0.175 20 5 CBBDMN CC(=O)NCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000583498102 355018118 /nfs/dbraw/zinc/01/81/18/355018118.db2.gz YIOSGBSMEUGQGS-UHFFFAOYSA-N 0 1 255.278 -0.141 20 5 CBBDMN CN(Cc1n[nH]c(=O)o1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000588849667 355061145 /nfs/dbraw/zinc/06/11/45/355061145.db2.gz ZRXLWWDNOYIHTE-UHFFFAOYSA-N 0 1 296.243 -0.071 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C)Cc2n[n-]c(=O)o2)c1[N+](=O)[O-] ZINC000588848828 355061188 /nfs/dbraw/zinc/06/11/88/355061188.db2.gz CTKYTMMZGDCVLH-UHFFFAOYSA-N 0 1 282.216 -0.013 20 5 CBBDMN C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000592306046 355147389 /nfs/dbraw/zinc/14/73/89/355147389.db2.gz AETYQTSJRNNJKM-XCBNKYQSSA-N 0 1 296.283 -0.116 20 5 CBBDMN COC[C@@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593062169 355191927 /nfs/dbraw/zinc/19/19/27/355191927.db2.gz AXGGBUSAARXHSC-NWDGAFQWSA-N 0 1 297.311 -0.162 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593856106 355222989 /nfs/dbraw/zinc/22/29/89/355222989.db2.gz VIEURMLESGTSCB-SECBINFHSA-N 0 1 295.299 -0.483 20 5 CBBDMN Cc1n[nH]c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594391626 355245020 /nfs/dbraw/zinc/24/50/20/355245020.db2.gz AURQYWGLZNVXFG-DTWKUNHWSA-N 0 1 295.299 -0.483 20 5 CBBDMN C[C@H](CC(N)=O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756583 355260263 /nfs/dbraw/zinc/26/02/63/355260263.db2.gz BHOSAMUCDKPYET-ZCFIWIBFSA-N 0 1 288.285 -0.468 20 5 CBBDMN C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(N)=O ZINC000594741777 355260410 /nfs/dbraw/zinc/26/04/10/355260410.db2.gz GFBHQIYXPFJRGB-YFKPBYRVSA-N 0 1 274.258 -0.858 20 5 CBBDMN C[C@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761153 355260846 /nfs/dbraw/zinc/26/08/46/355260846.db2.gz GVKMYGDEMJXYIL-LURJTMIESA-N 0 1 261.259 -0.351 20 5 CBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCN1CCC1 ZINC000594775325 355261377 /nfs/dbraw/zinc/26/13/77/355261377.db2.gz LGMXPESKGUPOBN-UHFFFAOYSA-N 0 1 286.313 -0.026 20 5 CBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(O)(CO)C1 ZINC000597702142 355410295 /nfs/dbraw/zinc/41/02/95/355410295.db2.gz HWSMZCRUMBZKTM-UHFFFAOYSA-N 0 1 268.225 -0.520 20 5 CBBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CC[C@@H](O)C1 ZINC000599176010 355469943 /nfs/dbraw/zinc/46/99/43/355469943.db2.gz NYZVMFKMLQGRHE-SECBINFHSA-N 0 1 295.299 -0.433 20 5 CBBDMN Cn1cnc([N+](=O)[O-])c1NCCN1CC[C@H](O)C1 ZINC000599202948 355472272 /nfs/dbraw/zinc/47/22/72/355472272.db2.gz SIINGAOTSNATMO-QMMMGPOBSA-N 0 1 255.278 -0.193 20 5 CBBDMN COC[C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599221965 355473245 /nfs/dbraw/zinc/47/32/45/355473245.db2.gz SFPUBVRLFDQVMP-SSDOTTSWSA-N 0 1 292.317 -0.111 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCOC2)n1 ZINC000599233354 355473400 /nfs/dbraw/zinc/47/34/00/355473400.db2.gz SNMBTXSWYQMXKB-ZETCQYMHSA-N 0 1 290.301 -0.214 20 5 CBBDMN CCC[C@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599240420 355473877 /nfs/dbraw/zinc/47/38/77/355473877.db2.gz IYNJNRNJDDCSCB-ZETCQYMHSA-N 0 1 292.317 -0.232 20 5 CBBDMN C[C@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599239123 355474050 /nfs/dbraw/zinc/47/40/50/355474050.db2.gz OAFIPSZSZCRRKJ-LURJTMIESA-N 0 1 278.290 -0.623 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCOC2)n1 ZINC000599267523 355474653 /nfs/dbraw/zinc/47/46/53/355474653.db2.gz YHOVMTWTTPIHRA-ZCFIWIBFSA-N 0 1 276.274 -0.605 20 5 CBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCF)n1 ZINC000599261691 355475225 /nfs/dbraw/zinc/47/52/25/355475225.db2.gz XDCMIIPZLAZJAE-UHFFFAOYSA-N 0 1 266.254 -0.034 20 5 CBBDMN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600240816 355532361 /nfs/dbraw/zinc/53/23/61/355532361.db2.gz IDBVTLYHVYOPAU-ZJUUUORDSA-N 0 1 295.251 -0.639 20 5 CBBDMN COC(=O)C[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600465887 355551490 /nfs/dbraw/zinc/55/14/90/355551490.db2.gz RRXDAWNDGXCPEG-JTQLQIEISA-N 0 1 298.251 -0.046 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600530568 355556663 /nfs/dbraw/zinc/55/66/63/355556663.db2.gz IAALENBUQMWFGC-SNVBAGLBSA-N 0 1 282.300 -0.270 20 5 CBBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000600526314 355557238 /nfs/dbraw/zinc/55/72/38/355557238.db2.gz HECSTJNKQUFAMS-SECBINFHSA-N 0 1 268.273 -0.281 20 5 CBBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600537125 355557823 /nfs/dbraw/zinc/55/78/23/355557823.db2.gz XXJRRXHFNDSYHZ-SECBINFHSA-N 0 1 294.311 -0.027 20 5 CBBDMN O=C(NCCN1CC[C@@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000599767356 355514157 /nfs/dbraw/zinc/51/41/57/355514157.db2.gz WPIDQFXWWYPBGF-SECBINFHSA-N 0 1 295.299 -0.400 20 5 CBBDMN Cn1c(C(=O)NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600808220 355566867 /nfs/dbraw/zinc/56/68/67/355566867.db2.gz MYXUJEDEOZNRBJ-VIFPVBQESA-N 0 1 282.300 -0.270 20 5 CBBDMN O=C(NCC[N@H+]1CC[C@H](O)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600808822 355567134 /nfs/dbraw/zinc/56/71/34/355567134.db2.gz SGQAGRXKYQSDHT-VIFPVBQESA-N 0 1 296.283 -0.508 20 5 CBBDMN O=C(NCC[N@@H+]1CC[C@H](O)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600808822 355567135 /nfs/dbraw/zinc/56/71/35/355567135.db2.gz SGQAGRXKYQSDHT-VIFPVBQESA-N 0 1 296.283 -0.508 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)C[C@H]2C)c1[N+](=O)[O-] ZINC000610241207 355775970 /nfs/dbraw/zinc/77/59/70/355775970.db2.gz AXIJDCZZDKSEEF-ZCFIWIBFSA-N 0 1 281.272 -0.023 20 5 CBBDMN O=C(NCCNc1ncccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000611202147 355796869 /nfs/dbraw/zinc/79/68/69/355796869.db2.gz FWMPFXLCSQIWSE-UHFFFAOYSA-N 0 1 277.244 -0.050 20 5 CBBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](c2nn[nH]n2)C1 ZINC000619789412 356227388 /nfs/dbraw/zinc/22/73/88/356227388.db2.gz ZZCYLZZTNRKOSB-LURJTMIESA-N 0 1 292.259 -0.149 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C[C@@H](C)O)[C@H](C)CO)c1[N+](=O)[O-] ZINC000275963797 193174594 /nfs/dbraw/zinc/17/45/94/193174594.db2.gz HTCZLEXGIKBJGR-RNFRBKRXSA-N 0 1 286.288 -0.170 20 5 CBBDMN Cc1[nH]nc(C(=O)N(C[C@H](C)O)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000275963793 193174861 /nfs/dbraw/zinc/17/48/61/193174861.db2.gz HTCZLEXGIKBJGR-BQBZGAKWSA-N 0 1 286.288 -0.170 20 5 CBBDMN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCNCC1 ZINC000170319239 372828398 /nfs/dbraw/zinc/82/83/98/372828398.db2.gz WUSDLLHPXUMFIO-UHFFFAOYSA-N 0 1 278.268 -0.035 20 5 CBBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H](O)CO)c1[N+](=O)[O-] ZINC000273950477 372923149 /nfs/dbraw/zinc/92/31/49/372923149.db2.gz YFEOGTRQMIQSAU-ZETCQYMHSA-N 0 1 286.288 -0.134 20 5 CBBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000360755162 373233732 /nfs/dbraw/zinc/23/37/32/373233732.db2.gz ONQGXRJWQRGYFD-UHFFFAOYSA-N 0 1 280.248 -0.494 20 5 CBBDMN COC(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363342489 373487577 /nfs/dbraw/zinc/48/75/77/373487577.db2.gz CYMPIALIWRENCC-VHSXEESVSA-N 0 1 285.300 -0.641 20 5 CBBDMN CN(CC(=O)N1CCNCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000430659602 373673042 /nfs/dbraw/zinc/67/30/42/373673042.db2.gz ZWXRGCMISFYLJN-UHFFFAOYSA-N 0 1 296.331 -0.808 20 5 CBBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)CC1 ZINC000518763016 373821410 /nfs/dbraw/zinc/82/14/10/373821410.db2.gz MCUXKRDPDMXSMV-UHFFFAOYSA-N 0 1 295.343 -0.090 20 5 CBBDMN COC(=O)c1nc[nH]c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000550084896 374230682 /nfs/dbraw/zinc/23/06/82/374230682.db2.gz CKZMKUDDXRSMBD-UHFFFAOYSA-N 0 1 294.227 -0.060 20 5 CBBDMN NS(=O)(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356333848 248232831 /nfs/dbraw/zinc/23/28/31/248232831.db2.gz GSQGQWUVZLPCBQ-UHFFFAOYSA-N 0 1 289.269 -0.681 20 5 CBBDMN COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356461361 248255295 /nfs/dbraw/zinc/25/52/95/248255295.db2.gz OURSMYPOXQCYNR-VIFPVBQESA-N 0 1 297.315 -0.221 20 5 CBBDMN Cn1c(C(=O)NC2(c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000357099241 248323118 /nfs/dbraw/zinc/32/31/18/248323118.db2.gz VGXIAMGEADVJCK-UHFFFAOYSA-N 0 1 277.244 -0.135 20 5 CBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CC=CCC1 ZINC000357637968 248384589 /nfs/dbraw/zinc/38/45/89/248384589.db2.gz ULIDVSLIGJDQFE-UHFFFAOYSA-N 0 1 280.288 -0.436 20 5 CBBDMN COC(=O)[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]1COCC2 ZINC000373669870 248835124 /nfs/dbraw/zinc/83/51/24/248835124.db2.gz PRHKURBGYHSXOA-DCJFZGGZSA-N 0 1 298.295 -0.310 20 5 CBBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H](O)[C@H](O)C2)c1 ZINC000278717471 194119830 /nfs/dbraw/zinc/11/98/30/194119830.db2.gz KMLDZBBXBYPQCP-RAIGVLPGSA-N 0 1 298.295 -0.628 20 5 CBBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC000347508359 218259044 /nfs/dbraw/zinc/25/90/44/218259044.db2.gz AWHOIOOKXPLYIY-XPUUQOCRSA-N 0 1 284.272 -0.152 20 5 CBBDMN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)N1 ZINC000153312816 207383509 /nfs/dbraw/zinc/38/35/09/207383509.db2.gz GWEJDZGKDBTGEH-YUMQZZPRSA-N 0 1 268.277 -0.605 20 5 CBBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000430325286 208156565 /nfs/dbraw/zinc/15/65/65/208156565.db2.gz SBMFLXMKBGHMCM-UHFFFAOYSA-N 0 1 263.217 -0.145 20 5 CBBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000442924475 208371067 /nfs/dbraw/zinc/37/10/67/208371067.db2.gz KJEQSQDKHKRLHI-SSDOTTSWSA-N 0 1 281.272 -0.023 20 5 CBBDMN NC(=O)c1ccnc(NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000357510478 419888682 /nfs/dbraw/zinc/88/86/82/419888682.db2.gz KBKLEXNYOZRCRZ-UHFFFAOYSA-N 0 1 291.271 0.252 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000365809164 420069138 /nfs/dbraw/zinc/06/91/38/420069138.db2.gz XFOWCKBSMZHQGJ-FNCVBFRFSA-N 0 1 253.258 -0.754 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000364163864 420031865 /nfs/dbraw/zinc/03/18/65/420031865.db2.gz ARPMVAQJAALVLC-VHSKPIJISA-N 0 1 253.258 -0.610 20 5 CBBDMN O=C(NC1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC000364492184 420038957 /nfs/dbraw/zinc/03/89/57/420038957.db2.gz FSVZYNMLCGEUAQ-UWVGGRQHSA-N 0 1 267.285 -0.221 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC000364492188 420039980 /nfs/dbraw/zinc/03/99/80/420039980.db2.gz FSVZYNMLCGEUAQ-ZJUUUORDSA-N 0 1 267.285 -0.221 20 5 CBBDMN CCN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1=O ZINC000364543151 420041078 /nfs/dbraw/zinc/04/10/78/420041078.db2.gz LREHHKCYDAGBRU-IUCAKERBSA-N 0 1 255.274 -0.268 20 5 CBBDMN CCc1noc([C@]2(O)CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)n1 ZINC000365235761 420056981 /nfs/dbraw/zinc/05/69/81/420056981.db2.gz RWAUFCWWWYQMEW-SXMVTHIZSA-N 0 1 296.283 -0.283 20 5 CBBDMN Cc1nnc2n1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000365331115 420061406 /nfs/dbraw/zinc/06/14/06/420061406.db2.gz ZQHLPFTUHGCZSV-SFYZADRCSA-N 0 1 251.246 -0.406 20 5 CBBDMN COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000366034645 420076261 /nfs/dbraw/zinc/07/62/61/420076261.db2.gz XUYIKDQRCQVZJS-HLTSFMKQSA-N 0 1 295.299 -0.479 20 5 CBBDMN Cn1cnc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000370744534 420184602 /nfs/dbraw/zinc/18/46/02/420184602.db2.gz GZPFARXUGMXKSW-GMSGAONNSA-N 0 1 250.258 -0.030 20 5 CBBDMN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000369340191 420158452 /nfs/dbraw/zinc/15/84/52/420158452.db2.gz ULZXRXISHVVGGI-WHOHXGKFSA-N 0 1 294.311 -0.380 20 5 CBBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC000423719698 420256746 /nfs/dbraw/zinc/25/67/46/420256746.db2.gz GEKVZVNEEOHYMP-JTQLQIEISA-N 0 1 291.267 0.398 20 5 CBBDMN Cc1nnc2n1C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000377362626 230284982 /nfs/dbraw/zinc/28/49/82/230284982.db2.gz OVYLQWXQNRARPZ-HRDYMLBCSA-N 0 1 265.273 -0.317 20 5 CBBDMN CCn1nc2c(cc1=O)CN(C(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000378015851 230308958 /nfs/dbraw/zinc/30/89/58/230308958.db2.gz UKNCETJHVFPQMO-ONGXEEELSA-N 0 1 292.295 -0.187 20 5 CBBDMN Nc1nccc(C(=O)NC2(c3nn[nH]n3)CC2)c1[N+](=O)[O-] ZINC000577624436 420464990 /nfs/dbraw/zinc/46/49/90/420464990.db2.gz LGIAUHCFBVUJIZ-UHFFFAOYSA-N 0 1 290.243 -0.496 20 5 CBBDMN COCc1nc(CNc2ccc(N)c([N+](=O)[O-])n2)n[nH]1 ZINC000596435343 420488717 /nfs/dbraw/zinc/48/87/17/420488717.db2.gz CTJHSMKUFIATLM-UHFFFAOYSA-N 0 1 279.260 0.449 20 5 CBBDMN COCc1nnc(CNc2ccc(N)c([N+](=O)[O-])n2)[nH]1 ZINC000596435343 420488719 /nfs/dbraw/zinc/48/87/19/420488719.db2.gz CTJHSMKUFIATLM-UHFFFAOYSA-N 0 1 279.260 0.449 20 5 CBBDMN Nc1nccc(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600536030 420492057 /nfs/dbraw/zinc/49/20/57/420492057.db2.gz VUJQKXASNJTUGU-MRVPVSSYSA-N 0 1 295.299 -0.632 20 5 CBBDMN Cc1[nH]nc(C(=O)N2CCn3ncnc3C2)c1[N+](=O)[O-] ZINC000354507881 280188967 /nfs/dbraw/zinc/18/89/67/280188967.db2.gz UQFHUJPDPQWECT-UHFFFAOYSA-N 0 1 277.244 -0.126 20 5 CBBDMN CN1C[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])C1=O ZINC000375409373 290292333 /nfs/dbraw/zinc/29/23/33/290292333.db2.gz SZYWXUBXGHSOMW-UTINFBMNSA-N 0 1 267.285 -0.269 20 5 CBBDMN [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000583023873 329299401 /nfs/dbraw/zinc/29/94/01/329299401.db2.gz RHAUAECAJHESPJ-MRVPVSSYSA-N 0 1 282.256 -0.505 20 5 CBBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000377830223 534380777 /nfs/dbraw/zinc/38/07/77/534380777.db2.gz BVQHQYMTGJYAQS-WYUUTHIRSA-N 0 1 283.328 -0.169 20 5 CBBDMN Cn1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000196747513 582126813 /nfs/dbraw/zinc/12/68/13/582126813.db2.gz QGGKPWZCHCTHRT-UHFFFAOYSA-N 0 1 250.218 -0.019 20 5 CBBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000801891112 582425552 /nfs/dbraw/zinc/42/55/52/582425552.db2.gz TWBKDEOUYIMVIL-UHFFFAOYSA-N 0 1 281.207 -0.241 20 5 CBBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000819722695 582539010 /nfs/dbraw/zinc/53/90/10/582539010.db2.gz QYHCYGFGEPVHIA-XLPZGREQSA-N 0 1 251.246 -0.214 20 5 CBBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819722689 582539057 /nfs/dbraw/zinc/53/90/57/582539057.db2.gz QYHCYGFGEPVHIA-BWZBUEFSSA-N 0 1 251.246 -0.214 20 5 CBBDMN C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC000828442049 582856113 /nfs/dbraw/zinc/85/61/13/582856113.db2.gz XCUXWYROEUFIOT-MIMYLULJSA-N 0 1 298.299 -0.195 20 5 CBBDMN CC[N@H+](CC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000829635625 582892843 /nfs/dbraw/zinc/89/28/43/582892843.db2.gz KRNZZLRWZNEVBM-SECBINFHSA-N 0 1 272.261 -0.441 20 5 CBBDMN CC[N@@H+](CCC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000829701763 582895393 /nfs/dbraw/zinc/89/53/93/582895393.db2.gz OEAVMCLETNBMCT-SNVBAGLBSA-N 0 1 286.288 -0.051 20 5 CBBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)(F)F ZINC000831122144 582958763 /nfs/dbraw/zinc/95/87/63/582958763.db2.gz XEGGKJOXKBLCAN-RNFRBKRXSA-N 0 1 295.217 -0.212 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCNC2=O)CC1 ZINC000831767917 583002511 /nfs/dbraw/zinc/00/25/11/583002511.db2.gz QGEYNEUUNGENIN-RKDXNWHRSA-N 0 1 267.285 -0.220 20 5 CBBDMN NC(=O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839476296 583156478 /nfs/dbraw/zinc/15/64/78/583156478.db2.gz IAQUTPZLNNXQCE-OPRDCNLKSA-N 0 1 263.253 -0.006 20 5 CBBDMN O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685305 583157593 /nfs/dbraw/zinc/15/75/93/583157593.db2.gz BWBAGQZLXMQLQF-OPRDCNLKSA-N 0 1 267.285 -0.079 20 5 CBBDMN CCC1N=NC(=S)N1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839690789 583157754 /nfs/dbraw/zinc/15/77/54/583157754.db2.gz KITYERFXSHZXLC-RNFRBKRXSA-N 0 1 285.329 -0.089 20 5 CBBDMN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686125 583157789 /nfs/dbraw/zinc/15/77/89/583157789.db2.gz LEVBBTKQBUVKIH-BZNPZCIMSA-N 0 1 276.314 -0.314 20 5 CBBDMN O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839699398 583158116 /nfs/dbraw/zinc/15/81/16/583158116.db2.gz WTNKQQNICAVETE-NBEYISGCSA-N 0 1 253.258 -0.469 20 5 CBBDMN C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701660 583158127 /nfs/dbraw/zinc/15/81/27/583158127.db2.gz YONXEMAVWRAOQB-ZYUZMQFOSA-N 0 1 258.274 -0.038 20 5 CBBDMN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839697575 583158210 /nfs/dbraw/zinc/15/82/10/583158210.db2.gz TWKGMPALEBYQTO-JDDHQFAOSA-N 0 1 267.285 -0.223 20 5 CBBDMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1OC ZINC000839724769 583158332 /nfs/dbraw/zinc/15/83/32/583158332.db2.gz CSHPZMLPAYNRSM-VVULQXIFSA-N 0 1 258.274 -0.040 20 5 CBBDMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1OC ZINC000839724766 583158382 /nfs/dbraw/zinc/15/83/82/583158382.db2.gz CSHPZMLPAYNRSM-IGORNWKESA-N 0 1 258.274 -0.040 20 5 CBBDMN CC(C)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000839721415 583158538 /nfs/dbraw/zinc/15/85/38/583158538.db2.gz LXYSWNZZSHMVGP-RKDXNWHRSA-N 0 1 255.274 -0.269 20 5 CBBDMN CC(C)OC[C@@H](CO)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839743610 583159368 /nfs/dbraw/zinc/15/93/68/583159368.db2.gz QPDQRINGAZWXLS-OPRDCNLKSA-N 0 1 260.290 -0.104 20 5 CBBDMN CCS(=O)(=O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839783036 583159957 /nfs/dbraw/zinc/15/99/57/583159957.db2.gz SGGFSYUKLBMUMU-HTQZYQBOSA-N 0 1 262.287 -0.703 20 5 CBBDMN CO[C@H]1COCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783666 583160079 /nfs/dbraw/zinc/16/00/79/583160079.db2.gz JZDXGELBDKKLQV-KYXWUPHJSA-N 0 1 258.274 -0.181 20 5 CBBDMN CC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840414772 583164820 /nfs/dbraw/zinc/16/48/20/583164820.db2.gz FNXYOIGWLNJKTG-OPRDCNLKSA-N 0 1 256.258 -0.142 20 5 CBBDMN CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840445687 583165020 /nfs/dbraw/zinc/16/50/20/583165020.db2.gz LNBZGFCDHTWSEY-ZYUZMQFOSA-N 0 1 274.317 -0.074 20 5 CBBDMN CCS(=O)(=O)NCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671254 583166234 /nfs/dbraw/zinc/16/62/34/583166234.db2.gz SEXZLQNYJUZBDI-RNFRBKRXSA-N 0 1 266.275 -0.866 20 5 CBBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOC[C@@H]1C1CC1 ZINC000840670964 583166245 /nfs/dbraw/zinc/16/62/45/583166245.db2.gz ZNLFJNSNQXQKTD-GMTAPVOTSA-N 0 1 298.295 -0.168 20 5 CBBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C1CC1 ZINC000840670965 583166353 /nfs/dbraw/zinc/16/63/53/583166353.db2.gz ZNLFJNSNQXQKTD-MXWKQRLJSA-N 0 1 298.295 -0.168 20 5 CBBDMN CC(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC(N)=O ZINC000840672979 583166493 /nfs/dbraw/zinc/16/64/93/583166493.db2.gz UTSOWYFLAUSSBM-QYNIQEEDSA-N 0 1 273.245 -0.586 20 5 CBBDMN C[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673634 583166723 /nfs/dbraw/zinc/16/67/23/583166723.db2.gz WMDYBGVTMYQINJ-IVZWLZJFSA-N 0 1 258.274 -0.085 20 5 CBBDMN CCOCCN1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842339093 583183388 /nfs/dbraw/zinc/18/33/88/583183388.db2.gz UYWBTZUOOQDERN-NXEZZACHSA-N 0 1 258.274 -0.085 20 5 CBBDMN COC(=O)c1coc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000846482008 583363664 /nfs/dbraw/zinc/36/36/64/583363664.db2.gz OITVEHNTDHIKES-IYSWYEEDSA-N 0 1 269.213 -0.257 20 5 CBBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nccc(N)n1 ZINC000854761572 583618451 /nfs/dbraw/zinc/61/84/51/583618451.db2.gz IMDHLMNVZQQVFE-FSDSQADBSA-N 0 1 251.246 -0.099 20 5 CBBDMN C[C@@H]1CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)CO1 ZINC000855405958 583637419 /nfs/dbraw/zinc/63/74/19/583637419.db2.gz BFKGWKHOGUUEHD-GWOFURMSSA-N 0 1 271.317 -0.123 20 5 CBBDMN COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000857330643 583670685 /nfs/dbraw/zinc/67/06/85/583670685.db2.gz LAMFZQMDXKCTCC-JLIMGVALSA-N 0 1 286.284 -0.169 20 5 CBBDMN COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000857330645 583671099 /nfs/dbraw/zinc/67/10/99/583671099.db2.gz LAMFZQMDXKCTCC-ZYUZMQFOSA-N 0 1 286.284 -0.169 20 5 CBBDMN O=C(N[C@@H]1CCn2cncc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000857942556 583685442 /nfs/dbraw/zinc/68/54/42/583685442.db2.gz XOMQDDROJOOKLK-SZEHBUNVSA-N 0 1 250.258 -0.021 20 5 CBBDMN COC(=O)[C@@]1(OC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862741763 583822714 /nfs/dbraw/zinc/82/27/14/583822714.db2.gz OKHGNUCJXJNSQN-SOCHQFKDSA-N 0 1 272.257 -0.558 20 5 CBBDMN CO[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000870528108 584015605 /nfs/dbraw/zinc/01/56/05/584015605.db2.gz VAGDUHGMUYIVPM-SJQPAMGKSA-N 0 1 258.274 -0.350 20 5 CBBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H]2COCC[C@@H]21 ZINC000888784456 584506266 /nfs/dbraw/zinc/50/62/66/584506266.db2.gz TXKLQYAXWBTYCT-UTINFBMNSA-N 0 1 256.258 -0.332 20 5 CBBDMN CC(C)C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953758060 614333602 /nfs/dbraw/zinc/33/36/02/614333602.db2.gz FOEKTVUDKZGWGQ-NXEZZACHSA-N 0 1 269.301 -0.023 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(C)=O)C1 ZINC000967950180 614651273 /nfs/dbraw/zinc/65/12/73/614651273.db2.gz ONAQVCRAJHZLQQ-NXEZZACHSA-N 0 1 255.274 -0.269 20 5 CBBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cnon2)C1 ZINC000950056159 614652076 /nfs/dbraw/zinc/65/20/76/614652076.db2.gz VECXBXJLTUFWOS-GHMZBOCLSA-N 0 1 295.299 -0.233 20 5 CBBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CC2)C1 ZINC000954239718 615867375 /nfs/dbraw/zinc/86/73/75/615867375.db2.gz FALOWCZIZZFMOV-NXEZZACHSA-N 0 1 267.285 -0.269 20 5 CBBDMN CN(C(=O)c1cocn1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953881487 615935397 /nfs/dbraw/zinc/93/53/97/615935397.db2.gz MZNJPDGFYXXORW-PSASIEDQSA-N 0 1 294.267 -0.377 20 5 CBBDMN COCC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948649859 616546163 /nfs/dbraw/zinc/54/61/63/616546163.db2.gz LPQNLGQTIBVJMX-GHMZBOCLSA-N 0 1 299.327 -0.347 20 5 CBBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@@H](C)C1 ZINC000911810023 657137491 /nfs/dbraw/zinc/13/74/91/657137491.db2.gz KMIRRSOCRHCREI-QMMMGPOBSA-N 0 1 267.289 -0.080 20 5 CBBDMN Cn1cc([C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2)cn1 ZINC000913456559 657456068 /nfs/dbraw/zinc/45/60/68/657456068.db2.gz LVQSHODCIVBVLN-GMTAPVOTSA-N 0 1 279.300 -0.442 20 5 CBBDMN COCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018686248 657838307 /nfs/dbraw/zinc/83/83/07/657838307.db2.gz WTWUXNHDXDLHIG-NXEZZACHSA-N 0 1 297.311 -0.641 20 5 CBBDMN Cn1ncnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138882 658016753 /nfs/dbraw/zinc/01/67/53/658016753.db2.gz GGEPSVBMMQYKOR-ZYUZMQFOSA-N 0 1 294.315 -0.783 20 5 CBBDMN O=C(N[C@H]1C[C@H](NCc2cnsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138806 658017083 /nfs/dbraw/zinc/01/70/83/658017083.db2.gz BHKXQWGKWLPLCY-KHUVANEUSA-N 0 1 297.340 -0.060 20 5 CBBDMN CN1C[C@@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000927738002 658945443 /nfs/dbraw/zinc/94/54/43/658945443.db2.gz CHKHVFNODYXLED-DJLDLDEBSA-N 0 1 255.274 -0.364 20 5 CBBDMN CCN1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000928867080 659071635 /nfs/dbraw/zinc/07/16/35/659071635.db2.gz KNOPHERFFONDJY-IWSPIJDZSA-N 0 1 255.274 -0.221 20 5 CBBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccon1 ZINC000973062314 659136748 /nfs/dbraw/zinc/13/67/48/659136748.db2.gz ZWJAIGNZIYAVBC-FDDDBJFASA-N 0 1 294.267 -0.283 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC000973922833 659157747 /nfs/dbraw/zinc/15/77/47/659157747.db2.gz XTTPPFXLHWMMRZ-UTINFBMNSA-N 0 1 293.283 -0.548 20 5 CBBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnco1 ZINC000974116656 659161771 /nfs/dbraw/zinc/16/17/71/659161771.db2.gz SVJLQOHHDJHDGF-BZNPZCIMSA-N 0 1 294.267 -0.283 20 5 CBBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)C3CC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976479666 659186332 /nfs/dbraw/zinc/18/63/32/659186332.db2.gz AFVKISIKHXLLFC-NZFPMDFQSA-N 0 1 279.296 -0.365 20 5 CBBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cscn1 ZINC000990470937 659746581 /nfs/dbraw/zinc/74/65/81/659746581.db2.gz NEAICDZFLFICJE-VXNVDRBHSA-N 0 1 296.308 -0.251 20 5 CBBDMN O=C(NC1CN(C(=O)c2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991282170 659829834 /nfs/dbraw/zinc/82/98/34/659829834.db2.gz XPYSKDFTJIKUCG-VXNVDRBHSA-N 0 1 296.308 -0.251 20 5 CBBDMN Cc1nc[nH]c1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991287350 659830347 /nfs/dbraw/zinc/83/03/47/659830347.db2.gz IZJAHBMTKHUGGT-RKDXNWHRSA-N 0 1 293.283 -0.676 20 5 CBBDMN O=C(NC1CN(C(=O)c2ccncn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991292229 659830880 /nfs/dbraw/zinc/83/08/80/659830880.db2.gz DIKKJRUHDYUTIC-PSASIEDQSA-N 0 1 291.267 -0.918 20 5 CBBDMN O=C(CC1(O)CCC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991299227 659831401 /nfs/dbraw/zinc/83/14/01/659831401.db2.gz SRWPZBYJBSNFPD-NXEZZACHSA-N 0 1 297.311 -0.716 20 5 CBBDMN