smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C(C)(C)C[NH3+])c1F ZINC001173193676 793623408 /nfs/dbraw/zinc/62/34/08/793623408.db2.gz VLCOKVHOIBSVHS-SNVBAGLBSA-N 2 2 313.373 2.343 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C(C)(C)C[NH3+])c1F ZINC001173193676 793623413 /nfs/dbraw/zinc/62/34/13/793623413.db2.gz VLCOKVHOIBSVHS-SNVBAGLBSA-N 2 2 313.373 2.343 20 5 DEBDLP COc1ccc(C[C@@H](C)[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001246548129 1140953854 /nfs/dbraw/zinc/95/38/54/1140953854.db2.gz RCJIVAOATARMMB-SCRDCRAPSA-N 2 2 307.394 2.346 20 5 DEBDLP COc1ccc(C[C@@H](C)[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001246548129 1140953870 /nfs/dbraw/zinc/95/38/70/1140953870.db2.gz RCJIVAOATARMMB-SCRDCRAPSA-N 2 2 307.394 2.346 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001254609900 1143282189 /nfs/dbraw/zinc/28/21/89/1143282189.db2.gz FCPLOOKSHXMYQB-QGZVFWFLSA-N 2 2 301.390 2.232 20 5 DEBDLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210156 213369650 /nfs/dbraw/zinc/36/96/50/213369650.db2.gz NDVRHSSMLLSMMT-ZBFHGGJFSA-N 2 2 307.394 2.044 20 5 DEBDLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210156 213369653 /nfs/dbraw/zinc/36/96/53/213369653.db2.gz NDVRHSSMLLSMMT-ZBFHGGJFSA-N 2 2 307.394 2.044 20 5 DEBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000276980989 213216683 /nfs/dbraw/zinc/21/66/83/213216683.db2.gz YIKRIGMRQXKXNS-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000276980989 213216686 /nfs/dbraw/zinc/21/66/86/213216686.db2.gz YIKRIGMRQXKXNS-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP Cn1cc[nH+]c1[C@@H](C1CC1)N(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000602659162 360479841 /nfs/dbraw/zinc/47/98/41/360479841.db2.gz JCNXQBRXNJLZDC-OAHLLOKOSA-N 2 2 315.377 2.245 20 5 DEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694070 146125541 /nfs/dbraw/zinc/12/55/41/146125541.db2.gz RRXVOQXPHZDLGU-ZJUUUORDSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694070 146125544 /nfs/dbraw/zinc/12/55/44/146125544.db2.gz RRXVOQXPHZDLGU-ZJUUUORDSA-N 2 2 315.320 2.365 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000175232164 402789784 /nfs/dbraw/zinc/78/97/84/402789784.db2.gz XKEOGYZOENQRKZ-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000175232164 402789787 /nfs/dbraw/zinc/78/97/87/402789787.db2.gz XKEOGYZOENQRKZ-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000184289663 402833258 /nfs/dbraw/zinc/83/32/58/402833258.db2.gz CVFFCIVLBZMCGO-UHFFFAOYSA-N 2 2 322.340 2.461 20 5 DEBDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000184289663 402833259 /nfs/dbraw/zinc/83/32/59/402833259.db2.gz CVFFCIVLBZMCGO-UHFFFAOYSA-N 2 2 322.340 2.461 20 5 DEBDLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414827224 404742551 /nfs/dbraw/zinc/74/25/51/404742551.db2.gz GWCCFUDUNKTHNQ-CQSZACIVSA-N 2 2 301.346 2.393 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430598244 405464630 /nfs/dbraw/zinc/46/46/30/405464630.db2.gz SDBSYFSTJZNJFL-CQSZACIVSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430598244 405464631 /nfs/dbraw/zinc/46/46/31/405464631.db2.gz SDBSYFSTJZNJFL-CQSZACIVSA-N 2 2 322.409 2.147 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423419965 405800183 /nfs/dbraw/zinc/80/01/83/405800183.db2.gz BHSYOKFJNCCWDR-XWTMOSNGSA-N 2 2 309.369 2.492 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000584124151 405831745 /nfs/dbraw/zinc/83/17/45/405831745.db2.gz VPEYTNONYWGWPF-XJKSGUPXSA-N 2 2 319.405 2.019 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000584124151 405831751 /nfs/dbraw/zinc/83/17/51/405831751.db2.gz VPEYTNONYWGWPF-XJKSGUPXSA-N 2 2 319.405 2.019 20 5 DEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521289 276373704 /nfs/dbraw/zinc/37/37/04/276373704.db2.gz VZFUEWRCYLEXKT-QLFBSQMISA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521289 276373705 /nfs/dbraw/zinc/37/37/05/276373705.db2.gz VZFUEWRCYLEXKT-QLFBSQMISA-N 2 2 321.425 2.349 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422714758 277939573 /nfs/dbraw/zinc/93/95/73/277939573.db2.gz LKZQKKJIGBOMDW-JTQLQIEISA-N 2 2 302.334 2.262 20 5 DEBDLP C[N@@H+]1C[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621470 640871469 /nfs/dbraw/zinc/87/14/69/640871469.db2.gz CGNUYATZCKPLOK-UJFJBFGSSA-N 2 2 301.390 2.492 20 5 DEBDLP C[N@H+]1C[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621470 640871471 /nfs/dbraw/zinc/87/14/71/640871471.db2.gz CGNUYATZCKPLOK-UJFJBFGSSA-N 2 2 301.390 2.492 20 5 DEBDLP C[NH+]1C[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621470 640871473 /nfs/dbraw/zinc/87/14/73/640871473.db2.gz CGNUYATZCKPLOK-UJFJBFGSSA-N 2 2 301.390 2.492 20 5 DEBDLP C[NH+]1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621470 640871475 /nfs/dbraw/zinc/87/14/75/640871475.db2.gz CGNUYATZCKPLOK-UJFJBFGSSA-N 2 2 301.390 2.492 20 5 DEBDLP CC[NH+](CC)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779865823 642551873 /nfs/dbraw/zinc/55/18/73/642551873.db2.gz RBFZHFAQHACJJN-UHFFFAOYSA-N 2 2 309.414 2.111 20 5 DEBDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806169488 645806759 /nfs/dbraw/zinc/80/67/59/645806759.db2.gz MNSYQQGIGAXUOA-ZDUSSCGKSA-N 2 2 306.410 2.103 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000848528679 651467702 /nfs/dbraw/zinc/46/77/02/651467702.db2.gz OEMUXMYZBSJZRC-XEZPLFJOSA-N 2 2 317.389 2.035 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000848528679 651467704 /nfs/dbraw/zinc/46/77/04/651467704.db2.gz OEMUXMYZBSJZRC-XEZPLFJOSA-N 2 2 317.389 2.035 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000848528677 651467905 /nfs/dbraw/zinc/46/79/05/651467905.db2.gz OEMUXMYZBSJZRC-WWGRRREGSA-N 2 2 317.389 2.035 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000848528677 651467906 /nfs/dbraw/zinc/46/79/06/651467906.db2.gz OEMUXMYZBSJZRC-WWGRRREGSA-N 2 2 317.389 2.035 20 5 DEBDLP Cc1noc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC001118496053 795194039 /nfs/dbraw/zinc/19/40/39/795194039.db2.gz MCWKVPLEIIDKCF-LBPRGKRZSA-N 2 2 319.365 2.079 20 5 DEBDLP Cc1noc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC001118496053 795194044 /nfs/dbraw/zinc/19/40/44/795194044.db2.gz MCWKVPLEIIDKCF-LBPRGKRZSA-N 2 2 319.365 2.079 20 5 DEBDLP Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163929575 799458414 /nfs/dbraw/zinc/45/84/14/799458414.db2.gz RIYPYQWTGIZVMA-UHFFFAOYSA-N 2 2 315.377 2.200 20 5 DEBDLP Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163929575 799458417 /nfs/dbraw/zinc/45/84/17/799458417.db2.gz RIYPYQWTGIZVMA-UHFFFAOYSA-N 2 2 315.377 2.200 20 5 DEBDLP CCCn1c[nH+]cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001652380644 1079872378 /nfs/dbraw/zinc/87/23/78/1079872378.db2.gz OJVGHOXXJDFOMD-UHFFFAOYSA-N 2 2 303.366 2.167 20 5 DEBDLP COCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001246928135 1141124034 /nfs/dbraw/zinc/12/40/34/1141124034.db2.gz JEUUYSYZILYOBL-YOEHRIQHSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001246928135 1141124050 /nfs/dbraw/zinc/12/40/50/1141124050.db2.gz JEUUYSYZILYOBL-YOEHRIQHSA-N 2 2 321.421 2.226 20 5 DEBDLP CC[N@H+](C)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606149 1143279232 /nfs/dbraw/zinc/27/92/32/1143279232.db2.gz FJJBVPDDSJYLKU-KRWDZBQOSA-N 2 2 303.406 2.478 20 5 DEBDLP CC[N@@H+](C)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606149 1143279247 /nfs/dbraw/zinc/27/92/47/1143279247.db2.gz FJJBVPDDSJYLKU-KRWDZBQOSA-N 2 2 303.406 2.478 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152465862 186076293 /nfs/dbraw/zinc/07/62/93/186076293.db2.gz KMDMGUVOQFUJTC-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152465862 186076294 /nfs/dbraw/zinc/07/62/94/186076294.db2.gz KMDMGUVOQFUJTC-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152465862 186076296 /nfs/dbraw/zinc/07/62/96/186076296.db2.gz KMDMGUVOQFUJTC-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152465862 186076298 /nfs/dbraw/zinc/07/62/98/186076298.db2.gz KMDMGUVOQFUJTC-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP C[NH+](C)[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000602565111 360435370 /nfs/dbraw/zinc/43/53/70/360435370.db2.gz QAORZEDWFIHQGJ-OAHLLOKOSA-N 2 2 309.435 2.164 20 5 DEBDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000153301467 296130833 /nfs/dbraw/zinc/13/08/33/296130833.db2.gz WNDVMBMUMBJKBU-UONOGXRCSA-N 2 2 307.394 2.214 20 5 DEBDLP Cc1ccc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877815 133368976 /nfs/dbraw/zinc/36/89/76/133368976.db2.gz BRMNDIHLYBLPRK-AWEZNQCLSA-N 2 2 318.421 2.484 20 5 DEBDLP Cc1ccc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877815 133368977 /nfs/dbraw/zinc/36/89/77/133368977.db2.gz BRMNDIHLYBLPRK-AWEZNQCLSA-N 2 2 318.421 2.484 20 5 DEBDLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672272 403155915 /nfs/dbraw/zinc/15/59/15/403155915.db2.gz VCKPCFCLERYHEI-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672272 403155918 /nfs/dbraw/zinc/15/59/18/403155918.db2.gz VCKPCFCLERYHEI-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672272 403155920 /nfs/dbraw/zinc/15/59/20/403155920.db2.gz VCKPCFCLERYHEI-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672272 403155922 /nfs/dbraw/zinc/15/59/22/403155922.db2.gz VCKPCFCLERYHEI-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+](C)C ZINC000291812065 404534694 /nfs/dbraw/zinc/53/46/94/404534694.db2.gz YFWPCQUMSWTFQV-SNVBAGLBSA-N 2 2 317.336 2.484 20 5 DEBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414955372 404775050 /nfs/dbraw/zinc/77/50/50/404775050.db2.gz UDMPKGLAMDAVSG-ONGXEEELSA-N 2 2 315.320 2.426 20 5 DEBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)C1CC1 ZINC000447563699 405417354 /nfs/dbraw/zinc/41/73/54/405417354.db2.gz RTDDDRDLDWKENP-YUELXQCFSA-N 2 2 321.425 2.347 20 5 DEBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000447563699 405417356 /nfs/dbraw/zinc/41/73/56/405417356.db2.gz RTDDDRDLDWKENP-YUELXQCFSA-N 2 2 321.425 2.347 20 5 DEBDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035815 688916910 /nfs/dbraw/zinc/91/69/10/688916910.db2.gz ZBCCAIZZQNOGRV-STQMWFEESA-N 2 2 324.400 2.020 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081862 691999568 /nfs/dbraw/zinc/99/95/68/691999568.db2.gz ZTIBEFPFJRXJHN-CJNGLKHVSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081862 691999571 /nfs/dbraw/zinc/99/95/71/691999571.db2.gz ZTIBEFPFJRXJHN-CJNGLKHVSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081862 691999574 /nfs/dbraw/zinc/99/95/74/691999574.db2.gz ZTIBEFPFJRXJHN-CJNGLKHVSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081862 691999577 /nfs/dbraw/zinc/99/95/77/691999577.db2.gz ZTIBEFPFJRXJHN-CJNGLKHVSA-N 2 2 316.405 2.439 20 5 DEBDLP Cc1ccc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001169054654 785024806 /nfs/dbraw/zinc/02/48/06/785024806.db2.gz NEDCNYYIDOEBCB-ZBFHGGJFSA-N 2 2 318.421 2.394 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C)c1F ZINC001173177580 793619493 /nfs/dbraw/zinc/61/94/93/793619493.db2.gz VNPSTYPBOHXUNE-GHMZBOCLSA-N 2 2 313.373 2.213 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609784 795497452 /nfs/dbraw/zinc/49/74/52/795497452.db2.gz GFYKQLMDAVNFKI-ARFHVFGLSA-N 2 2 319.405 2.091 20 5 DEBDLP Cc1cccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164210846 799539411 /nfs/dbraw/zinc/53/94/11/799539411.db2.gz JTUPUAXKRNXDDX-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1F)CC2 ZINC001246094577 1140860528 /nfs/dbraw/zinc/86/05/28/1140860528.db2.gz IPONDFWDHUJIBM-FVQBIDKESA-N 2 2 307.369 2.132 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000088727322 355518156 /nfs/dbraw/zinc/51/81/56/355518156.db2.gz JUUPIBRFMAOSTB-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000581379986 357178487 /nfs/dbraw/zinc/17/84/87/357178487.db2.gz DEUGYACGANAHCX-CJNGLKHVSA-N 2 2 319.405 2.140 20 5 DEBDLP CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430948247 283257036 /nfs/dbraw/zinc/25/70/36/283257036.db2.gz HRYWEUPIOWXGBT-ZDUSSCGKSA-N 2 2 323.393 2.056 20 5 DEBDLP CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430948247 283257038 /nfs/dbraw/zinc/25/70/38/283257038.db2.gz HRYWEUPIOWXGBT-ZDUSSCGKSA-N 2 2 323.393 2.056 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000532479772 284697250 /nfs/dbraw/zinc/69/72/50/284697250.db2.gz MMQJOQBIHJAMGY-DZGCQCFKSA-N 2 2 307.394 2.011 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000268876991 207046842 /nfs/dbraw/zinc/04/68/42/207046842.db2.gz WTARXWNSHUAMDN-DZGCQCFKSA-N 2 2 307.394 2.011 20 5 DEBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000261695810 145217565 /nfs/dbraw/zinc/21/75/65/145217565.db2.gz KZZCCCWLPBFXDN-AWEZNQCLSA-N 2 2 315.320 2.367 20 5 DEBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000261695810 145217566 /nfs/dbraw/zinc/21/75/66/145217566.db2.gz KZZCCCWLPBFXDN-AWEZNQCLSA-N 2 2 315.320 2.367 20 5 DEBDLP C[NH2+]CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415138014 404817827 /nfs/dbraw/zinc/81/78/27/404817827.db2.gz UVWBXXSFPOCZJA-UHFFFAOYSA-N 2 2 303.309 2.238 20 5 DEBDLP C[NH2+]CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415138014 404817829 /nfs/dbraw/zinc/81/78/29/404817829.db2.gz UVWBXXSFPOCZJA-UHFFFAOYSA-N 2 2 303.309 2.238 20 5 DEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561234 405457545 /nfs/dbraw/zinc/45/75/45/405457545.db2.gz ZIUAMYPRIHULJW-GHMZBOCLSA-N 2 2 304.350 2.295 20 5 DEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561234 405457546 /nfs/dbraw/zinc/45/75/46/405457546.db2.gz ZIUAMYPRIHULJW-GHMZBOCLSA-N 2 2 304.350 2.295 20 5 DEBDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367517766 269078198 /nfs/dbraw/zinc/07/81/98/269078198.db2.gz LMQPDNQHXPCRGC-OAHLLOKOSA-N 2 2 318.421 2.484 20 5 DEBDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367517766 269078201 /nfs/dbraw/zinc/07/82/01/269078201.db2.gz LMQPDNQHXPCRGC-OAHLLOKOSA-N 2 2 318.421 2.484 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000757642270 639862777 /nfs/dbraw/zinc/86/27/77/639862777.db2.gz KWQBCVLKEOUUNE-NSHDSACASA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000757642270 639862782 /nfs/dbraw/zinc/86/27/82/639862782.db2.gz KWQBCVLKEOUUNE-NSHDSACASA-N 2 2 304.325 2.457 20 5 DEBDLP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590974 642189559 /nfs/dbraw/zinc/18/95/59/642189559.db2.gz LAGAKPYAAORNMP-HIFRSBDPSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590974 642189561 /nfs/dbraw/zinc/18/95/61/642189561.db2.gz LAGAKPYAAORNMP-HIFRSBDPSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486572 643366857 /nfs/dbraw/zinc/36/68/57/643366857.db2.gz WLDFMLNUZNNOKD-HNNXBMFYSA-N 2 2 305.378 2.238 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000873044355 689147392 /nfs/dbraw/zinc/14/73/92/689147392.db2.gz KZODGODTWBEYQU-GJZGRUSLSA-N 2 2 319.405 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000873044355 689147393 /nfs/dbraw/zinc/14/73/93/689147393.db2.gz KZODGODTWBEYQU-GJZGRUSLSA-N 2 2 319.405 2.164 20 5 DEBDLP CCC1([NH+](C)C)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879285616 690610307 /nfs/dbraw/zinc/61/03/07/690610307.db2.gz BUEUHILMMOKFGH-INIZCTEOSA-N 2 2 321.421 2.434 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001169054592 785024729 /nfs/dbraw/zinc/02/47/29/785024729.db2.gz MRXHAEWYIRPPLN-OCCSQVGLSA-N 2 2 322.384 2.225 20 5 DEBDLP COc1ccc(C[C@@H](C)n2c[nH+]c(C)c2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170297140 786892609 /nfs/dbraw/zinc/89/26/09/786892609.db2.gz KJYZJTHRCGEEKE-LLVKDONJSA-N 2 2 318.377 2.413 20 5 DEBDLP COc1cc(C[NH2+]CCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1O ZINC001656170960 1080058018 /nfs/dbraw/zinc/05/80/18/1080058018.db2.gz PWUMGLCHYWXBQL-UHFFFAOYSA-N 2 2 320.349 2.076 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1F)CC2 ZINC001246094576 1140860204 /nfs/dbraw/zinc/86/02/04/1140860204.db2.gz IPONDFWDHUJIBM-BMFZPTHFSA-N 2 2 307.369 2.132 20 5 DEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607647 1143280264 /nfs/dbraw/zinc/28/02/64/1143280264.db2.gz LPIIEFKFLNLWHP-COXVUDFISA-N 2 2 301.390 2.088 20 5 DEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607647 1143280276 /nfs/dbraw/zinc/28/02/76/1143280276.db2.gz LPIIEFKFLNLWHP-COXVUDFISA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607647 1143280285 /nfs/dbraw/zinc/28/02/85/1143280285.db2.gz LPIIEFKFLNLWHP-COXVUDFISA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607647 1143280299 /nfs/dbraw/zinc/28/02/99/1143280299.db2.gz LPIIEFKFLNLWHP-COXVUDFISA-N 2 2 301.390 2.088 20 5 DEBDLP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000346649303 536746050 /nfs/dbraw/zinc/74/60/50/536746050.db2.gz GQIBSAOLNKCDSW-UHFFFAOYSA-N 2 2 311.382 2.029 20 5 DEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591578015 357738139 /nfs/dbraw/zinc/73/81/39/357738139.db2.gz MGPFBFQLBHXAEQ-TZMCWYRMSA-N 2 2 320.393 2.044 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902615 207070327 /nfs/dbraw/zinc/07/03/27/207070327.db2.gz LJOLXKYCXLDZQM-DLBZAZTESA-N 2 2 320.437 2.271 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902615 207070331 /nfs/dbraw/zinc/07/03/31/207070331.db2.gz LJOLXKYCXLDZQM-DLBZAZTESA-N 2 2 320.437 2.271 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000542519063 285230398 /nfs/dbraw/zinc/23/03/98/285230398.db2.gz GKWUSAFYPZCUMM-GFCCVEGCSA-N 2 2 316.361 2.326 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000542519063 285230402 /nfs/dbraw/zinc/23/04/02/285230402.db2.gz GKWUSAFYPZCUMM-GFCCVEGCSA-N 2 2 316.361 2.326 20 5 DEBDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854281 145375343 /nfs/dbraw/zinc/37/53/43/145375343.db2.gz XIIHNSQYJFCVOS-ZACQAIPSSA-N 2 2 319.405 2.499 20 5 DEBDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854281 145375344 /nfs/dbraw/zinc/37/53/44/145375344.db2.gz XIIHNSQYJFCVOS-ZACQAIPSSA-N 2 2 319.405 2.499 20 5 DEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694067 146126128 /nfs/dbraw/zinc/12/61/28/146126128.db2.gz RRXVOQXPHZDLGU-NXEZZACHSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694067 146126131 /nfs/dbraw/zinc/12/61/31/146126131.db2.gz RRXVOQXPHZDLGU-NXEZZACHSA-N 2 2 315.320 2.365 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000349183367 146357382 /nfs/dbraw/zinc/35/73/82/146357382.db2.gz GQHPKBPEUWLOGE-LBPRGKRZSA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000349183367 146357383 /nfs/dbraw/zinc/35/73/83/146357383.db2.gz GQHPKBPEUWLOGE-LBPRGKRZSA-N 2 2 304.325 2.457 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625824 404269837 /nfs/dbraw/zinc/26/98/37/404269837.db2.gz JTWVCJBORGLECU-DGCLKSJQSA-N 2 2 323.393 2.184 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625824 404269842 /nfs/dbraw/zinc/26/98/42/404269842.db2.gz JTWVCJBORGLECU-DGCLKSJQSA-N 2 2 323.393 2.184 20 5 DEBDLP CC[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544760 405417350 /nfs/dbraw/zinc/41/73/50/405417350.db2.gz PQLNZMVTCHHQBF-CABCVRRESA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544760 405417352 /nfs/dbraw/zinc/41/73/52/405417352.db2.gz PQLNZMVTCHHQBF-CABCVRRESA-N 2 2 321.425 2.349 20 5 DEBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118349 405517575 /nfs/dbraw/zinc/51/75/75/405517575.db2.gz RZSVZPQTUIOZEN-GDBMZVCRSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118349 405517587 /nfs/dbraw/zinc/51/75/87/405517587.db2.gz RZSVZPQTUIOZEN-GDBMZVCRSA-N 2 2 321.421 2.226 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385083 405535837 /nfs/dbraw/zinc/53/58/37/405535837.db2.gz DOOHVLKOMUQASX-QTONRWBISA-N 2 2 319.405 2.044 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385083 405535839 /nfs/dbraw/zinc/53/58/39/405535839.db2.gz DOOHVLKOMUQASX-QTONRWBISA-N 2 2 319.405 2.044 20 5 DEBDLP C[N@H+](CCC[NH3+])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000574877539 326195836 /nfs/dbraw/zinc/19/58/36/326195836.db2.gz JQQVKQKOFAWDFJ-UHFFFAOYSA-N 2 2 306.391 2.499 20 5 DEBDLP C[N@@H+](CCC[NH3+])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000574877539 326195838 /nfs/dbraw/zinc/19/58/38/326195838.db2.gz JQQVKQKOFAWDFJ-UHFFFAOYSA-N 2 2 306.391 2.499 20 5 DEBDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812986 326248412 /nfs/dbraw/zinc/24/84/12/326248412.db2.gz SXNXDDHNZAGHIO-INIZCTEOSA-N 2 2 309.410 2.118 20 5 DEBDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812986 326248413 /nfs/dbraw/zinc/24/84/13/326248413.db2.gz SXNXDDHNZAGHIO-INIZCTEOSA-N 2 2 309.410 2.118 20 5 DEBDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812986 326248414 /nfs/dbraw/zinc/24/84/14/326248414.db2.gz SXNXDDHNZAGHIO-INIZCTEOSA-N 2 2 309.410 2.118 20 5 DEBDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812986 326248415 /nfs/dbraw/zinc/24/84/15/326248415.db2.gz SXNXDDHNZAGHIO-INIZCTEOSA-N 2 2 309.410 2.118 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359277061 535022006 /nfs/dbraw/zinc/02/20/06/535022006.db2.gz MVZCADLICZTBOD-OKILXGFUSA-N 2 2 305.378 2.033 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359277061 535022009 /nfs/dbraw/zinc/02/20/09/535022009.db2.gz MVZCADLICZTBOD-OKILXGFUSA-N 2 2 305.378 2.033 20 5 DEBDLP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000346649303 536746055 /nfs/dbraw/zinc/74/60/55/536746055.db2.gz GQIBSAOLNKCDSW-UHFFFAOYSA-N 2 2 311.382 2.029 20 5 DEBDLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035812 688917245 /nfs/dbraw/zinc/91/72/45/688917245.db2.gz ZBCCAIZZQNOGRV-QWHCGFSZSA-N 2 2 324.400 2.020 20 5 DEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872149019 688937547 /nfs/dbraw/zinc/93/75/47/688937547.db2.gz SEMJNDQLYMLTML-ZYHUDNBSSA-N 2 2 303.284 2.164 20 5 DEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872149019 688937548 /nfs/dbraw/zinc/93/75/48/688937548.db2.gz SEMJNDQLYMLTML-ZYHUDNBSSA-N 2 2 303.284 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000873021287 689142402 /nfs/dbraw/zinc/14/24/02/689142402.db2.gz KOBNKOPYZYECAS-UHFFFAOYSA-N 2 2 321.421 2.148 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925488716 693280858 /nfs/dbraw/zinc/28/08/58/693280858.db2.gz FNVRHTOUAIXALO-VNQPRFMTSA-N 2 2 319.405 2.470 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]CCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001170299114 786894658 /nfs/dbraw/zinc/89/46/58/786894658.db2.gz PYQUMIAVXCXSHD-LBPRGKRZSA-N 2 2 304.350 2.021 20 5 DEBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346217228 1150952345 /nfs/dbraw/zinc/95/23/45/1150952345.db2.gz FWPVCWGUWIGJRQ-UHFFFAOYSA-N 2 2 305.378 2.266 20 5 DEBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346217228 1150952348 /nfs/dbraw/zinc/95/23/48/1150952348.db2.gz FWPVCWGUWIGJRQ-UHFFFAOYSA-N 2 2 305.378 2.266 20 5 DEBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586699 1143267199 /nfs/dbraw/zinc/26/71/99/1143267199.db2.gz RMBOHLYIOMJYHZ-HOTGVXAUSA-N 2 2 303.406 2.382 20 5 DEBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586699 1143267219 /nfs/dbraw/zinc/26/72/19/1143267219.db2.gz RMBOHLYIOMJYHZ-HOTGVXAUSA-N 2 2 303.406 2.382 20 5 DEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602513023 360412423 /nfs/dbraw/zinc/41/24/23/360412423.db2.gz ZPLAGGAMUFKLQL-SNVBAGLBSA-N 2 2 301.306 2.111 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449258492 240267466 /nfs/dbraw/zinc/26/74/66/240267466.db2.gz NFRPGLUJGYNYKI-TZMCWYRMSA-N 2 2 300.362 2.327 20 5 DEBDLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000364643593 404481987 /nfs/dbraw/zinc/48/19/87/404481987.db2.gz GSJLLIIXXMQTIG-INIZCTEOSA-N 2 2 319.405 2.188 20 5 DEBDLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000364643593 404481994 /nfs/dbraw/zinc/48/19/94/404481994.db2.gz GSJLLIIXXMQTIG-INIZCTEOSA-N 2 2 319.405 2.188 20 5 DEBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751257 145363468 /nfs/dbraw/zinc/36/34/68/145363468.db2.gz HXECMHDWEZLRFA-MAZHCROVSA-N 2 2 305.378 2.109 20 5 DEBDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751257 145363469 /nfs/dbraw/zinc/36/34/69/145363469.db2.gz HXECMHDWEZLRFA-MAZHCROVSA-N 2 2 305.378 2.109 20 5 DEBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347125432 146198202 /nfs/dbraw/zinc/19/82/02/146198202.db2.gz YGWMJWMKKWRVKG-JTQLQIEISA-N 2 2 315.320 2.367 20 5 DEBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347125432 146198204 /nfs/dbraw/zinc/19/82/04/146198204.db2.gz YGWMJWMKKWRVKG-JTQLQIEISA-N 2 2 315.320 2.367 20 5 DEBDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266775355 402990573 /nfs/dbraw/zinc/99/05/73/402990573.db2.gz BUJHETWWGQUZPT-CYBMUJFWSA-N 2 2 307.394 2.092 20 5 DEBDLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000268806453 403115436 /nfs/dbraw/zinc/11/54/36/403115436.db2.gz CPXORQKTDXHDQJ-KGLIPLIRSA-N 2 2 307.394 2.011 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284262064 403258272 /nfs/dbraw/zinc/25/82/72/403258272.db2.gz WYSLFWJYVPGXNR-UHFFFAOYSA-N 2 2 319.321 2.222 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284262064 403258274 /nfs/dbraw/zinc/25/82/74/403258274.db2.gz WYSLFWJYVPGXNR-UHFFFAOYSA-N 2 2 319.321 2.222 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298283384 403349919 /nfs/dbraw/zinc/34/99/19/403349919.db2.gz GZPYXWKQQJPRBU-UHFFFAOYSA-N 2 2 305.378 2.320 20 5 DEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414787005 404735419 /nfs/dbraw/zinc/73/54/19/404735419.db2.gz KYCPVHSLODRBOW-UHFFFAOYSA-N 2 2 301.293 2.038 20 5 DEBDLP CC(C)c1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415111183 404809998 /nfs/dbraw/zinc/80/99/98/404809998.db2.gz ONBHKRICPIUDTA-AWEZNQCLSA-N 2 2 307.394 2.268 20 5 DEBDLP CC(C)c1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415111183 404810003 /nfs/dbraw/zinc/81/00/03/404810003.db2.gz ONBHKRICPIUDTA-AWEZNQCLSA-N 2 2 307.394 2.268 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4[nH+]ccn43)nc2c1 ZINC000446835581 405394303 /nfs/dbraw/zinc/39/43/03/405394303.db2.gz PKQHWWGCDRZRNV-UHFFFAOYSA-N 2 2 322.328 2.409 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593914 405463697 /nfs/dbraw/zinc/46/36/97/405463697.db2.gz PWDSDVHBFKCUKN-IUODEOHRSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593914 405463699 /nfs/dbraw/zinc/46/36/99/405463699.db2.gz PWDSDVHBFKCUKN-IUODEOHRSA-N 2 2 322.409 2.227 20 5 DEBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063355 406860373 /nfs/dbraw/zinc/86/03/73/406860373.db2.gz BPOCZCDJZVQDMH-ILXRZTDVSA-N 2 2 321.425 2.206 20 5 DEBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063355 406860374 /nfs/dbraw/zinc/86/03/74/406860374.db2.gz BPOCZCDJZVQDMH-ILXRZTDVSA-N 2 2 321.425 2.206 20 5 DEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917071 230279116 /nfs/dbraw/zinc/27/91/16/230279116.db2.gz FKQYZGOMDFSFQF-GDBMZVCRSA-N 2 2 321.421 2.274 20 5 DEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246718008 526078982 /nfs/dbraw/zinc/07/89/82/526078982.db2.gz LMZPGYPSNWFNTB-GJZGRUSLSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246718008 526078990 /nfs/dbraw/zinc/07/89/90/526078990.db2.gz LMZPGYPSNWFNTB-GJZGRUSLSA-N 2 2 319.405 2.310 20 5 DEBDLP O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903486359 643367173 /nfs/dbraw/zinc/36/71/73/643367173.db2.gz UWWOQDFOECSPHV-OAHLLOKOSA-N 2 2 305.378 2.238 20 5 DEBDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819078994 647579595 /nfs/dbraw/zinc/57/95/95/647579595.db2.gz PKXGKHKLWANOBI-GOEBONIOSA-N 2 2 307.394 2.092 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1F ZINC001246130061 1140864325 /nfs/dbraw/zinc/86/43/25/1140864325.db2.gz RPRPJZSIXNKSGW-MNOVXSKESA-N 2 2 311.357 2.015 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846904 1142594863 /nfs/dbraw/zinc/59/48/63/1142594863.db2.gz ZTXSCGKPJXBBHD-HRCADAONSA-N 2 2 319.405 2.091 20 5 DEBDLP CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000592488300 357885098 /nfs/dbraw/zinc/88/50/98/357885098.db2.gz JVESGDLLHBXASZ-ZYHUDNBSSA-N 2 2 304.350 2.295 20 5 DEBDLP CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000592488300 357885102 /nfs/dbraw/zinc/88/51/02/357885102.db2.gz JVESGDLLHBXASZ-ZYHUDNBSSA-N 2 2 304.350 2.295 20 5 DEBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350992 358428419 /nfs/dbraw/zinc/42/84/19/358428419.db2.gz CZOOQIPRWXWTNA-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350992 358428421 /nfs/dbraw/zinc/42/84/21/358428421.db2.gz CZOOQIPRWXWTNA-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350992 358428425 /nfs/dbraw/zinc/42/84/25/358428425.db2.gz CZOOQIPRWXWTNA-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350992 358428429 /nfs/dbraw/zinc/42/84/29/358428429.db2.gz CZOOQIPRWXWTNA-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858746 402247473 /nfs/dbraw/zinc/24/74/73/402247473.db2.gz DWYDHNYJZOVOBR-HNNXBMFYSA-N 2 2 319.405 2.139 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858746 402247474 /nfs/dbraw/zinc/24/74/74/402247474.db2.gz DWYDHNYJZOVOBR-HNNXBMFYSA-N 2 2 319.405 2.139 20 5 DEBDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178439419 402498859 /nfs/dbraw/zinc/49/88/59/402498859.db2.gz QQPCAFBSZWOJCB-OAHLLOKOSA-N 2 2 318.421 2.201 20 5 DEBDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178439419 402498862 /nfs/dbraw/zinc/49/88/62/402498862.db2.gz QQPCAFBSZWOJCB-OAHLLOKOSA-N 2 2 318.421 2.201 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266958189 403002898 /nfs/dbraw/zinc/00/28/98/403002898.db2.gz WAXIIJDETUEONR-CYBMUJFWSA-N 2 2 315.377 2.212 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000269636672 403152176 /nfs/dbraw/zinc/15/21/76/403152176.db2.gz HPRAUNIZLJGYDF-WMLDXEAASA-N 2 2 319.405 2.046 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000269636672 403152177 /nfs/dbraw/zinc/15/21/77/403152177.db2.gz HPRAUNIZLJGYDF-WMLDXEAASA-N 2 2 319.405 2.046 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625834 404270259 /nfs/dbraw/zinc/27/02/59/404270259.db2.gz JTWVCJBORGLECU-YPMHNXCESA-N 2 2 323.393 2.184 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625834 404270268 /nfs/dbraw/zinc/27/02/68/404270268.db2.gz JTWVCJBORGLECU-YPMHNXCESA-N 2 2 323.393 2.184 20 5 DEBDLP C[NH2+]CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414862130 404750747 /nfs/dbraw/zinc/75/07/47/404750747.db2.gz UVNQRHRPZQFEDB-UHFFFAOYSA-N 2 2 306.391 2.417 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415122808 404812110 /nfs/dbraw/zinc/81/21/10/404812110.db2.gz ISAGQYVLOJPRTA-JSGCOSHPSA-N 2 2 307.394 2.410 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415122808 404812112 /nfs/dbraw/zinc/81/21/12/404812112.db2.gz ISAGQYVLOJPRTA-JSGCOSHPSA-N 2 2 307.394 2.410 20 5 DEBDLP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414898083 533884887 /nfs/dbraw/zinc/88/48/87/533884887.db2.gz FXCOVTPREUYMHA-MRXNPFEDSA-N 2 2 323.393 2.091 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)CCOc1cccc([N+](=O)[O-])c1 ZINC000124422006 522802492 /nfs/dbraw/zinc/80/24/92/522802492.db2.gz INTWVVHNUIUFPD-UHFFFAOYSA-N 2 2 304.350 2.192 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1cccc([N+](=O)[O-])c1 ZINC000124422006 522802503 /nfs/dbraw/zinc/80/25/03/522802503.db2.gz INTWVVHNUIUFPD-UHFFFAOYSA-N 2 2 304.350 2.192 20 5 DEBDLP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCCCC1 ZINC000923421573 637175947 /nfs/dbraw/zinc/17/59/47/637175947.db2.gz GYCCEZXBHGVWIT-HNNXBMFYSA-N 2 2 307.394 2.222 20 5 DEBDLP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCCCC1 ZINC000923421573 637175949 /nfs/dbraw/zinc/17/59/49/637175949.db2.gz GYCCEZXBHGVWIT-HNNXBMFYSA-N 2 2 307.394 2.222 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765789567 640818885 /nfs/dbraw/zinc/81/88/85/640818885.db2.gz BAOGPMUHEMQCQR-NUEKZKHPSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765789567 640818886 /nfs/dbraw/zinc/81/88/86/640818886.db2.gz BAOGPMUHEMQCQR-NUEKZKHPSA-N 2 2 319.405 2.417 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001335398317 1150407489 /nfs/dbraw/zinc/40/74/89/1150407489.db2.gz SQOSOFLUCFPCEZ-GVDBMIGSSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001335398317 1150407494 /nfs/dbraw/zinc/40/74/94/1150407494.db2.gz SQOSOFLUCFPCEZ-GVDBMIGSSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168985573 784986158 /nfs/dbraw/zinc/98/61/58/784986158.db2.gz TVDZWOSUATWUDL-CVEARBPZSA-N 2 2 318.421 2.333 20 5 DEBDLP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000581379987 357177946 /nfs/dbraw/zinc/17/79/46/357177946.db2.gz DEUGYACGANAHCX-CZUORRHYSA-N 2 2 319.405 2.140 20 5 DEBDLP CC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602497968 360406067 /nfs/dbraw/zinc/40/60/67/360406067.db2.gz FSKNXTPFGODYGI-UHFFFAOYSA-N 2 2 304.350 2.310 20 5 DEBDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664328 193286697 /nfs/dbraw/zinc/28/66/97/193286697.db2.gz CXQUGOFSKRFAGJ-MRXNPFEDSA-N 2 2 319.405 2.057 20 5 DEBDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664328 193286699 /nfs/dbraw/zinc/28/66/99/193286699.db2.gz CXQUGOFSKRFAGJ-MRXNPFEDSA-N 2 2 319.405 2.057 20 5 DEBDLP COCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000564349215 292093080 /nfs/dbraw/zinc/09/30/80/292093080.db2.gz KVQWJYRGAHDFLC-MRXNPFEDSA-N 2 2 319.405 2.283 20 5 DEBDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000364643594 404482223 /nfs/dbraw/zinc/48/22/23/404482223.db2.gz GSJLLIIXXMQTIG-MRXNPFEDSA-N 2 2 319.405 2.188 20 5 DEBDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000364643594 404482229 /nfs/dbraw/zinc/48/22/29/404482229.db2.gz GSJLLIIXXMQTIG-MRXNPFEDSA-N 2 2 319.405 2.188 20 5 DEBDLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253986 147101706 /nfs/dbraw/zinc/10/17/06/147101706.db2.gz PICYVGXMECJQCT-JKSUJKDBSA-N 2 2 307.394 2.092 20 5 DEBDLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253986 147101708 /nfs/dbraw/zinc/10/17/08/147101708.db2.gz PICYVGXMECJQCT-JKSUJKDBSA-N 2 2 307.394 2.092 20 5 DEBDLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108370556 402252460 /nfs/dbraw/zinc/25/24/60/402252460.db2.gz NGEVQVBXBYQOLP-UHFFFAOYSA-N 2 2 307.394 2.436 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266958190 403003000 /nfs/dbraw/zinc/00/30/00/403003000.db2.gz WAXIIJDETUEONR-ZDUSSCGKSA-N 2 2 315.377 2.212 20 5 DEBDLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000268809984 403116662 /nfs/dbraw/zinc/11/66/62/403116662.db2.gz DMIAEQCYVJFVOB-AWEZNQCLSA-N 2 2 321.421 2.401 20 5 DEBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414796668 404738139 /nfs/dbraw/zinc/73/81/39/404738139.db2.gz OKFAOXFKQCYEME-NSHDSACASA-N 2 2 303.309 2.269 20 5 DEBDLP CCC[NH2+]CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414864945 404751672 /nfs/dbraw/zinc/75/16/72/404751672.db2.gz DMDPVLVMJRKGJT-UHFFFAOYSA-N 2 2 317.393 2.085 20 5 DEBDLP CC(C)n1c[nH+]cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000425342840 405276147 /nfs/dbraw/zinc/27/61/47/405276147.db2.gz BDJXTUCJCABBFG-UHFFFAOYSA-N 2 2 303.366 2.338 20 5 DEBDLP Cc1cc(N2CCC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420161979 405291405 /nfs/dbraw/zinc/29/14/05/405291405.db2.gz KAQHHJLERNJWCY-UHFFFAOYSA-N 2 2 313.361 2.160 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423419964 405798965 /nfs/dbraw/zinc/79/89/65/405798965.db2.gz BHSYOKFJNCCWDR-XDNAFOTISA-N 2 2 309.369 2.492 20 5 DEBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)C1CC1 ZINC000447563697 278210671 /nfs/dbraw/zinc/21/06/71/278210671.db2.gz RTDDDRDLDWKENP-SNPRPXQTSA-N 2 2 321.425 2.347 20 5 DEBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000447563697 278210673 /nfs/dbraw/zinc/21/06/73/278210673.db2.gz RTDDDRDLDWKENP-SNPRPXQTSA-N 2 2 321.425 2.347 20 5 DEBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917072 278294542 /nfs/dbraw/zinc/29/45/42/278294542.db2.gz FKQYZGOMDFSFQF-GOEBONIOSA-N 2 2 321.421 2.274 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573472 529046292 /nfs/dbraw/zinc/04/62/92/529046292.db2.gz QVYWAGZFULTALM-SWLSCSKDSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573472 529046296 /nfs/dbraw/zinc/04/62/96/529046296.db2.gz QVYWAGZFULTALM-SWLSCSKDSA-N 2 2 322.409 2.227 20 5 DEBDLP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088473 536756687 /nfs/dbraw/zinc/75/66/87/536756687.db2.gz FDCLIOSDEKXFJZ-RYUDHWBXSA-N 2 2 323.393 2.171 20 5 DEBDLP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088473 536756689 /nfs/dbraw/zinc/75/66/89/536756689.db2.gz FDCLIOSDEKXFJZ-RYUDHWBXSA-N 2 2 323.393 2.171 20 5 DEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000903843229 643481274 /nfs/dbraw/zinc/48/12/74/643481274.db2.gz GCLLAKSEJHXGAF-UMNHJUIQSA-N 2 2 302.334 2.048 20 5 DEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000903843229 643481276 /nfs/dbraw/zinc/48/12/76/643481276.db2.gz GCLLAKSEJHXGAF-UMNHJUIQSA-N 2 2 302.334 2.048 20 5 DEBDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819078995 647579086 /nfs/dbraw/zinc/57/90/86/647579086.db2.gz PKXGKHKLWANOBI-HOCLYGCPSA-N 2 2 307.394 2.092 20 5 DEBDLP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCC(C)CC1 ZINC000876988779 689991091 /nfs/dbraw/zinc/99/10/91/689991091.db2.gz LHKBHVYFOXVXSZ-WLYUNCDWSA-N 2 2 321.425 2.205 20 5 DEBDLP COc1ccc(C[C@H](C)n2c[nH+]c(C)c2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170297141 786892588 /nfs/dbraw/zinc/89/25/88/786892588.db2.gz KJYZJTHRCGEEKE-NSHDSACASA-N 2 2 318.377 2.413 20 5 DEBDLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907700 793524152 /nfs/dbraw/zinc/52/41/52/793524152.db2.gz HRACYLJRZKKWQK-HNNXBMFYSA-N 2 2 314.389 2.408 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CC[NH3+])C(C)C)c1F ZINC001173178944 793620051 /nfs/dbraw/zinc/62/00/51/793620051.db2.gz NOZZMAJIWKJSSS-LLVKDONJSA-N 2 2 313.373 2.343 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](CC[NH3+])C(C)C)c1F ZINC001173178944 793620060 /nfs/dbraw/zinc/62/00/60/793620060.db2.gz NOZZMAJIWKJSSS-LLVKDONJSA-N 2 2 313.373 2.343 20 5 DEBDLP Cc1[nH+]c2c(n1-c1nc(C)cc(Cl)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165353192 799712368 /nfs/dbraw/zinc/71/23/68/799712368.db2.gz LNJWHFLUNFTSEZ-UHFFFAOYSA-N 2 2 321.768 2.134 20 5 DEBDLP C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCCCC1 ZINC001578446554 1067103934 /nfs/dbraw/zinc/10/39/34/1067103934.db2.gz ZZKCWQVGDFMUDU-HNNXBMFYSA-N 2 2 307.394 2.222 20 5 DEBDLP C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCCCC1 ZINC001578446554 1067103937 /nfs/dbraw/zinc/10/39/37/1067103937.db2.gz ZZKCWQVGDFMUDU-HNNXBMFYSA-N 2 2 307.394 2.222 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1F)CC2 ZINC001246094578 1140860177 /nfs/dbraw/zinc/86/01/77/1140860177.db2.gz IPONDFWDHUJIBM-KBMXLJTQSA-N 2 2 307.369 2.132 20 5 DEBDLP C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489228 361841336 /nfs/dbraw/zinc/84/13/36/361841336.db2.gz ZCRUBRLSMDHOCN-STQMWFEESA-N 2 2 321.425 2.071 20 5 DEBDLP C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489228 361841338 /nfs/dbraw/zinc/84/13/38/361841338.db2.gz ZCRUBRLSMDHOCN-STQMWFEESA-N 2 2 321.425 2.071 20 5 DEBDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595511841 358470920 /nfs/dbraw/zinc/47/09/20/358470920.db2.gz RUAWDHLGFQSZCA-CYBMUJFWSA-N 2 2 309.410 2.121 20 5 DEBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595511841 358470925 /nfs/dbraw/zinc/47/09/25/358470925.db2.gz RUAWDHLGFQSZCA-CYBMUJFWSA-N 2 2 309.410 2.121 20 5 DEBDLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000598912196 359355240 /nfs/dbraw/zinc/35/52/40/359355240.db2.gz ODLQTLNSFXVGTG-GHMZBOCLSA-N 2 2 304.350 2.308 20 5 DEBDLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000598912196 359355245 /nfs/dbraw/zinc/35/52/45/359355245.db2.gz ODLQTLNSFXVGTG-GHMZBOCLSA-N 2 2 304.350 2.308 20 5 DEBDLP C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000449161199 240138398 /nfs/dbraw/zinc/13/83/98/240138398.db2.gz DREWDCANKYYGJC-GJZGRUSLSA-N 2 2 321.421 2.084 20 5 DEBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536885 133277220 /nfs/dbraw/zinc/27/72/20/133277220.db2.gz FLROCLRCMSMQHU-RCBQFDQVSA-N 2 2 305.378 2.109 20 5 DEBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751260 145363668 /nfs/dbraw/zinc/36/36/68/145363668.db2.gz HXECMHDWEZLRFA-RCBQFDQVSA-N 2 2 305.378 2.109 20 5 DEBDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751260 145363670 /nfs/dbraw/zinc/36/36/70/145363670.db2.gz HXECMHDWEZLRFA-RCBQFDQVSA-N 2 2 305.378 2.109 20 5 DEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347048992 146186867 /nfs/dbraw/zinc/18/68/67/146186867.db2.gz PNPHBVWBCWCEQG-LBPRGKRZSA-N 2 2 323.393 2.043 20 5 DEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347048992 146186868 /nfs/dbraw/zinc/18/68/68/146186868.db2.gz PNPHBVWBCWCEQG-LBPRGKRZSA-N 2 2 323.393 2.043 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357044645 147029306 /nfs/dbraw/zinc/02/93/06/147029306.db2.gz GYTLGMAXZWEOMW-JSGCOSHPSA-N 2 2 305.378 2.035 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357044645 147029308 /nfs/dbraw/zinc/02/93/08/147029308.db2.gz GYTLGMAXZWEOMW-JSGCOSHPSA-N 2 2 305.378 2.035 20 5 DEBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124210136 402168785 /nfs/dbraw/zinc/16/87/85/402168785.db2.gz QGSSQZOUMZQCNA-CSPWOOARSA-N 2 2 319.405 2.308 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855787 402247583 /nfs/dbraw/zinc/24/75/83/402247583.db2.gz JJSACKZICBEYRM-INIZCTEOSA-N 2 2 319.405 2.139 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855787 402247587 /nfs/dbraw/zinc/24/75/87/402247587.db2.gz JJSACKZICBEYRM-INIZCTEOSA-N 2 2 319.405 2.139 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000178729297 402531483 /nfs/dbraw/zinc/53/14/83/402531483.db2.gz FVFDQSJEFCZZNY-TYNCELHUSA-N 2 2 307.394 2.422 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000178729297 402531485 /nfs/dbraw/zinc/53/14/85/402531485.db2.gz FVFDQSJEFCZZNY-TYNCELHUSA-N 2 2 307.394 2.422 20 5 DEBDLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000191812672 402694200 /nfs/dbraw/zinc/69/42/00/402694200.db2.gz CUILMDJEIKDUTC-AWEZNQCLSA-N 2 2 321.425 2.208 20 5 DEBDLP CC[NH+](CC)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000191812672 402694202 /nfs/dbraw/zinc/69/42/02/402694202.db2.gz CUILMDJEIKDUTC-AWEZNQCLSA-N 2 2 321.425 2.208 20 5 DEBDLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083429 403286496 /nfs/dbraw/zinc/28/64/96/403286496.db2.gz FZOFXAIGVZLPAL-MRXNPFEDSA-N 2 2 305.378 2.131 20 5 DEBDLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083429 403286504 /nfs/dbraw/zinc/28/65/04/403286504.db2.gz FZOFXAIGVZLPAL-MRXNPFEDSA-N 2 2 305.378 2.131 20 5 DEBDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083429 403286510 /nfs/dbraw/zinc/28/65/10/403286510.db2.gz FZOFXAIGVZLPAL-MRXNPFEDSA-N 2 2 305.378 2.131 20 5 DEBDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083429 403286516 /nfs/dbraw/zinc/28/65/16/403286516.db2.gz FZOFXAIGVZLPAL-MRXNPFEDSA-N 2 2 305.378 2.131 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000363031645 404050246 /nfs/dbraw/zinc/05/02/46/404050246.db2.gz NQYDEDXGAFKTCA-GFCCVEGCSA-N 2 2 322.384 2.314 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000363031645 404050248 /nfs/dbraw/zinc/05/02/48/404050248.db2.gz NQYDEDXGAFKTCA-GFCCVEGCSA-N 2 2 322.384 2.314 20 5 DEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)n1 ZINC000351520113 404623675 /nfs/dbraw/zinc/62/36/75/404623675.db2.gz DSHDCIWHXKZNFU-UONOGXRCSA-N 2 2 318.381 2.151 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329702 405321522 /nfs/dbraw/zinc/32/15/22/405321522.db2.gz HDNITJJLQGLUEO-STQMWFEESA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329702 405321524 /nfs/dbraw/zinc/32/15/24/405321524.db2.gz HDNITJJLQGLUEO-STQMWFEESA-N 2 2 323.393 2.041 20 5 DEBDLP Cc1cc(N2CC[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420188624 405293139 /nfs/dbraw/zinc/29/31/39/405293139.db2.gz FPFHHHCYIZLDAO-GFCCVEGCSA-N 2 2 313.361 2.158 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000449221678 279382367 /nfs/dbraw/zinc/38/23/67/279382367.db2.gz GZPDWCFDDZLYOG-LSDHHAIUSA-N 2 2 321.421 2.226 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000873044357 689147531 /nfs/dbraw/zinc/14/75/31/689147531.db2.gz KZODGODTWBEYQU-LSDHHAIUSA-N 2 2 319.405 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000873044357 689147533 /nfs/dbraw/zinc/14/75/33/689147533.db2.gz KZODGODTWBEYQU-LSDHHAIUSA-N 2 2 319.405 2.164 20 5 DEBDLP CCO[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961644 693536322 /nfs/dbraw/zinc/53/63/22/693536322.db2.gz PQIUZOWEMDYFNC-SWLSCSKDSA-N 2 2 307.394 2.138 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168976536 784981243 /nfs/dbraw/zinc/98/12/43/784981243.db2.gz DMNWWJDNVWNHHN-ZFWWWQNUSA-N 2 2 304.394 2.085 20 5 DEBDLP [NH3+]CCc1[nH+]ccn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900645 793523208 /nfs/dbraw/zinc/52/32/08/793523208.db2.gz XIWFNVIQVVKXCJ-AWEZNQCLSA-N 2 2 300.362 2.413 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246606398 1141002217 /nfs/dbraw/zinc/00/22/17/1141002217.db2.gz FGIBHYVRACFIMC-DLBZAZTESA-N 2 2 301.390 2.280 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246606398 1141002225 /nfs/dbraw/zinc/00/22/25/1141002225.db2.gz FGIBHYVRACFIMC-DLBZAZTESA-N 2 2 301.390 2.280 20 5 DEBDLP COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246658823 1141027140 /nfs/dbraw/zinc/02/71/40/1141027140.db2.gz ASNAPTHQYVPPGO-SUYBPPKGSA-N 2 2 319.405 2.348 20 5 DEBDLP COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246658823 1141027151 /nfs/dbraw/zinc/02/71/51/1141027151.db2.gz ASNAPTHQYVPPGO-SUYBPPKGSA-N 2 2 319.405 2.348 20 5 DEBDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595100749 358389563 /nfs/dbraw/zinc/38/95/63/358389563.db2.gz IRVDHHCJHMDHIQ-GUYCJALGSA-N 2 2 319.405 2.499 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000181059042 199245589 /nfs/dbraw/zinc/24/55/89/199245589.db2.gz NUCSEJDXHZGAFP-UHFFFAOYSA-N 2 2 304.350 2.192 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000181059042 199245591 /nfs/dbraw/zinc/24/55/91/199245591.db2.gz NUCSEJDXHZGAFP-UHFFFAOYSA-N 2 2 304.350 2.192 20 5 DEBDLP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281464885 216318971 /nfs/dbraw/zinc/31/89/71/216318971.db2.gz VOYPBXYVFNUORW-INIZCTEOSA-N 2 2 307.394 2.046 20 5 DEBDLP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281464885 216318974 /nfs/dbraw/zinc/31/89/74/216318974.db2.gz VOYPBXYVFNUORW-INIZCTEOSA-N 2 2 307.394 2.046 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411949 361594815 /nfs/dbraw/zinc/59/48/15/361594815.db2.gz JDSXHWCSGJXDPG-LLVKDONJSA-N 2 2 310.423 2.237 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000362637798 133242649 /nfs/dbraw/zinc/24/26/49/133242649.db2.gz RITCZZVJHNBJRW-AWEZNQCLSA-N 2 2 304.394 2.175 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000362637798 133242650 /nfs/dbraw/zinc/24/26/50/133242650.db2.gz RITCZZVJHNBJRW-AWEZNQCLSA-N 2 2 304.394 2.175 20 5 DEBDLP C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000153301575 402138230 /nfs/dbraw/zinc/13/82/30/402138230.db2.gz WNDVMBMUMBJKBU-ZIAGYGMSSA-N 2 2 307.394 2.214 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246909827 402549124 /nfs/dbraw/zinc/54/91/24/402549124.db2.gz FVFDQSJEFCZZNY-SLEUVZQESA-N 2 2 307.394 2.422 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246909827 402549128 /nfs/dbraw/zinc/54/91/28/402549128.db2.gz FVFDQSJEFCZZNY-SLEUVZQESA-N 2 2 307.394 2.422 20 5 DEBDLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000268806458 403115816 /nfs/dbraw/zinc/11/58/16/403115816.db2.gz CPXORQKTDXHDQJ-ZIAGYGMSSA-N 2 2 307.394 2.011 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269636364 403152254 /nfs/dbraw/zinc/15/22/54/403152254.db2.gz HJTUXXUDUGCXPU-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269636364 403152256 /nfs/dbraw/zinc/15/22/56/403152256.db2.gz HJTUXXUDUGCXPU-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967404 403235669 /nfs/dbraw/zinc/23/56/69/403235669.db2.gz GKXXMEFRHXVJFF-ZIBATOQPSA-N 2 2 304.394 2.310 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967404 403235670 /nfs/dbraw/zinc/23/56/70/403235670.db2.gz GKXXMEFRHXVJFF-ZIBATOQPSA-N 2 2 304.394 2.310 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269393 404027407 /nfs/dbraw/zinc/02/74/07/404027407.db2.gz WIGQZDUUPCXLOR-CYBMUJFWSA-N 2 2 322.384 2.314 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269393 404027410 /nfs/dbraw/zinc/02/74/10/404027410.db2.gz WIGQZDUUPCXLOR-CYBMUJFWSA-N 2 2 322.384 2.314 20 5 DEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCOCC1 ZINC000344867144 404414078 /nfs/dbraw/zinc/41/40/78/404414078.db2.gz VDDNHZVLCJCVIW-NTCAYCPXSA-N 2 2 319.405 2.310 20 5 DEBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424334159 405071709 /nfs/dbraw/zinc/07/17/09/405071709.db2.gz NDRVFPACRIDSSS-OUCADQQQSA-N 2 2 320.393 2.090 20 5 DEBDLP C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000420410114 405346949 /nfs/dbraw/zinc/34/69/49/405346949.db2.gz QZZVWDXVGHJFBA-GHMZBOCLSA-N 2 2 304.350 2.153 20 5 DEBDLP C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000420410114 405346952 /nfs/dbraw/zinc/34/69/52/405346952.db2.gz QZZVWDXVGHJFBA-GHMZBOCLSA-N 2 2 304.350 2.153 20 5 DEBDLP CCC[NH2+]CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313530 405756953 /nfs/dbraw/zinc/75/69/53/405756953.db2.gz UPQLYDCZMSGHCP-HNNXBMFYSA-N 2 2 317.393 2.007 20 5 DEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)n1 ZINC000351520114 275040529 /nfs/dbraw/zinc/04/05/29/275040529.db2.gz DSHDCIWHXKZNFU-ZIAGYGMSSA-N 2 2 318.381 2.151 20 5 DEBDLP COc1c(O)ccc(C[NH2+]CCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892460459 625712855 /nfs/dbraw/zinc/71/28/55/625712855.db2.gz CVBZTUIPFZLLHV-UHFFFAOYSA-N 2 2 323.393 2.275 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587497 642189130 /nfs/dbraw/zinc/18/91/30/642189130.db2.gz IUJWNLNOCHTFIE-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587497 642189132 /nfs/dbraw/zinc/18/91/32/642189132.db2.gz IUJWNLNOCHTFIE-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000904445464 643673006 /nfs/dbraw/zinc/67/30/06/643673006.db2.gz VPHCRTMFGMIPIM-UHFFFAOYSA-N 2 2 304.394 2.166 20 5 DEBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906929 647378277 /nfs/dbraw/zinc/37/82/77/647378277.db2.gz HQDUWKPZDRADEP-JQWIXIFHSA-N 2 2 313.785 2.105 20 5 DEBDLP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCC(C)CC1 ZINC000876988778 689991182 /nfs/dbraw/zinc/99/11/82/689991182.db2.gz LHKBHVYFOXVXSZ-NFOMZHRRSA-N 2 2 321.425 2.205 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168985576 784986050 /nfs/dbraw/zinc/98/60/50/784986050.db2.gz TVDZWOSUATWUDL-JKSUJKDBSA-N 2 2 318.421 2.333 20 5 DEBDLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170295578 786892209 /nfs/dbraw/zinc/89/22/09/786892209.db2.gz VPCRJSZHCNOPNZ-CYBMUJFWSA-N 2 2 309.410 2.466 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609786 795497847 /nfs/dbraw/zinc/49/78/47/795497847.db2.gz GFYKQLMDAVNFKI-BZUAXINKSA-N 2 2 319.405 2.091 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1F ZINC001246358934 1140888272 /nfs/dbraw/zinc/88/82/72/1140888272.db2.gz RPRPJZSIXNKSGW-GHMZBOCLSA-N 2 2 311.357 2.015 20 5 DEBDLP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246981869 1141210498 /nfs/dbraw/zinc/21/04/98/1141210498.db2.gz SMOFSPWIQPUIJQ-MNOVXSKESA-N 2 2 313.373 2.343 20 5 DEBDLP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246981869 1141210519 /nfs/dbraw/zinc/21/05/19/1141210519.db2.gz SMOFSPWIQPUIJQ-MNOVXSKESA-N 2 2 313.373 2.343 20 5 DEBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930527 530059427 /nfs/dbraw/zinc/05/94/27/530059427.db2.gz IXDNUOFWNQREFL-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930527 530059428 /nfs/dbraw/zinc/05/94/28/530059428.db2.gz IXDNUOFWNQREFL-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930527 530059429 /nfs/dbraw/zinc/05/94/29/530059429.db2.gz IXDNUOFWNQREFL-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930527 530059430 /nfs/dbraw/zinc/05/94/30/530059430.db2.gz IXDNUOFWNQREFL-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427662 357874945 /nfs/dbraw/zinc/87/49/45/357874945.db2.gz NYWSKUIXICJQIV-WCQYABFASA-N 2 2 323.393 2.171 20 5 DEBDLP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427662 357874948 /nfs/dbraw/zinc/87/49/48/357874948.db2.gz NYWSKUIXICJQIV-WCQYABFASA-N 2 2 323.393 2.171 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[NH+]3CCCC3)nc2c1 ZINC000602590985 360447109 /nfs/dbraw/zinc/44/71/09/360447109.db2.gz DYSROCGBWVBAQF-UHFFFAOYSA-N 2 2 304.350 2.312 20 5 DEBDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602521298 360416088 /nfs/dbraw/zinc/41/60/88/360416088.db2.gz PBNUUHZZBWIRQZ-LLVKDONJSA-N 2 2 304.350 2.167 20 5 DEBDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602521298 360416090 /nfs/dbraw/zinc/41/60/90/360416090.db2.gz PBNUUHZZBWIRQZ-LLVKDONJSA-N 2 2 304.350 2.167 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609599057 361326355 /nfs/dbraw/zinc/32/63/55/361326355.db2.gz GGIYLXHNXKUJDN-MRXNPFEDSA-N 2 2 319.405 2.328 20 5 DEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640114 146114924 /nfs/dbraw/zinc/11/49/24/146114924.db2.gz AGVBNENXFIWSDI-NXEZZACHSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640114 146114926 /nfs/dbraw/zinc/11/49/26/146114926.db2.gz AGVBNENXFIWSDI-NXEZZACHSA-N 2 2 315.320 2.365 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253983 147101930 /nfs/dbraw/zinc/10/19/30/147101930.db2.gz PICYVGXMECJQCT-HZPDHXFCSA-N 2 2 307.394 2.092 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253983 147101933 /nfs/dbraw/zinc/10/19/33/147101933.db2.gz PICYVGXMECJQCT-HZPDHXFCSA-N 2 2 307.394 2.092 20 5 DEBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998481 403237831 /nfs/dbraw/zinc/23/78/31/403237831.db2.gz HSFOOKBSJGZVQR-GLQYFDAESA-N 2 2 304.394 2.454 20 5 DEBDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998481 403237832 /nfs/dbraw/zinc/23/78/32/403237832.db2.gz HSFOOKBSJGZVQR-GLQYFDAESA-N 2 2 304.394 2.454 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352426523 404362412 /nfs/dbraw/zinc/36/24/12/404362412.db2.gz VJWXVWPKDLUEEV-AWEZNQCLSA-N 2 2 321.421 2.353 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352426523 404362413 /nfs/dbraw/zinc/36/24/13/404362413.db2.gz VJWXVWPKDLUEEV-AWEZNQCLSA-N 2 2 321.421 2.353 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352519603 404432432 /nfs/dbraw/zinc/43/24/32/404432432.db2.gz QATGJJFDRKNTGZ-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352519603 404432435 /nfs/dbraw/zinc/43/24/35/404432435.db2.gz QATGJJFDRKNTGZ-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414905443 404763183 /nfs/dbraw/zinc/76/31/83/404763183.db2.gz NUUJXGYBSVBNDD-LLVKDONJSA-N 2 2 315.320 2.428 20 5 DEBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449221674 405521439 /nfs/dbraw/zinc/52/14/39/405521439.db2.gz GZPDWCFDDZLYOG-CABCVRRESA-N 2 2 321.421 2.226 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584121703 405829319 /nfs/dbraw/zinc/82/93/19/405829319.db2.gz VMQUSYNVDCNYKU-GFCCVEGCSA-N 2 2 301.350 2.201 20 5 DEBDLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590581 642189578 /nfs/dbraw/zinc/18/95/78/642189578.db2.gz FAQVKZXSGGHPQR-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590581 642189580 /nfs/dbraw/zinc/18/95/80/642189580.db2.gz FAQVKZXSGGHPQR-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590581 642189581 /nfs/dbraw/zinc/18/95/81/642189581.db2.gz FAQVKZXSGGHPQR-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590581 642189583 /nfs/dbraw/zinc/18/95/83/642189583.db2.gz FAQVKZXSGGHPQR-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP COc1cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000903151499 643275160 /nfs/dbraw/zinc/27/51/60/643275160.db2.gz GENPQSUJJJDQKW-AAEUAGOBSA-N 2 2 316.361 2.466 20 5 DEBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000925762384 693337652 /nfs/dbraw/zinc/33/76/52/693337652.db2.gz JTWFLKKFCVKTMG-UHFFFAOYSA-N 2 2 314.183 2.199 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001335361095 1150399439 /nfs/dbraw/zinc/39/94/39/1150399439.db2.gz MIZCFCAULFCCEJ-IXDOHACOSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001335361095 1150399445 /nfs/dbraw/zinc/39/94/45/1150399445.db2.gz MIZCFCAULFCCEJ-IXDOHACOSA-N 2 2 319.405 2.235 20 5 DEBDLP COc1ccc(C[C@@H](C)n2cc[nH+]c2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170297920 786892879 /nfs/dbraw/zinc/89/28/79/786892879.db2.gz VWNSDBHTZHMZBB-LLVKDONJSA-N 2 2 304.350 2.105 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170296733 786893303 /nfs/dbraw/zinc/89/33/03/786893303.db2.gz HXIOFYSFXJUSBR-JSGCOSHPSA-N 2 2 307.394 2.218 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170296733 786893314 /nfs/dbraw/zinc/89/33/14/786893314.db2.gz HXIOFYSFXJUSBR-JSGCOSHPSA-N 2 2 307.394 2.218 20 5 DEBDLP COc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC001177733892 794738179 /nfs/dbraw/zinc/73/81/79/794738179.db2.gz WNRNCJLIRALKTL-UHFFFAOYSA-N 2 2 316.361 2.354 20 5 DEBDLP O=[N+]([O-])c1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(Cl)c1 ZINC001155054471 797670835 /nfs/dbraw/zinc/67/08/35/797670835.db2.gz YSKZSRPLBQJNSU-UHFFFAOYSA-N 2 2 307.741 2.296 20 5 DEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591581819 357739459 /nfs/dbraw/zinc/73/94/59/357739459.db2.gz WYDYISMVBXYCAR-DRZSPHRISA-N 2 2 311.357 2.344 20 5 DEBDLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594995066 358375412 /nfs/dbraw/zinc/37/54/12/358375412.db2.gz YYHISPRNYKNYPG-INIZCTEOSA-N 2 2 319.405 2.246 20 5 DEBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536884 133277120 /nfs/dbraw/zinc/27/71/20/133277120.db2.gz FLROCLRCMSMQHU-MAZHCROVSA-N 2 2 305.378 2.109 20 5 DEBDLP O=[N+]([O-])c1cccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000183160900 402744078 /nfs/dbraw/zinc/74/40/78/402744078.db2.gz BAXXWFHLDQOHAY-UHFFFAOYSA-N 2 2 315.377 2.004 20 5 DEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266882502 402996679 /nfs/dbraw/zinc/99/66/79/402996679.db2.gz AMPVLRDIJZXQGF-ZDUSSCGKSA-N 2 2 315.377 2.212 20 5 DEBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000277897704 403268523 /nfs/dbraw/zinc/26/85/23/403268523.db2.gz OVFCTUGVGFMZHC-LBPRGKRZSA-N 2 2 313.423 2.247 20 5 DEBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000277897704 403268526 /nfs/dbraw/zinc/26/85/26/403268526.db2.gz OVFCTUGVGFMZHC-LBPRGKRZSA-N 2 2 313.423 2.247 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329697 405321435 /nfs/dbraw/zinc/32/14/35/405321435.db2.gz HDNITJJLQGLUEO-CHWSQXEVSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329697 405321436 /nfs/dbraw/zinc/32/14/36/405321436.db2.gz HDNITJJLQGLUEO-CHWSQXEVSA-N 2 2 323.393 2.041 20 5 DEBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)C1CC1 ZINC000447563696 405417250 /nfs/dbraw/zinc/41/72/50/405417250.db2.gz RTDDDRDLDWKENP-BPLDGKMQSA-N 2 2 321.425 2.347 20 5 DEBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000447563696 405417253 /nfs/dbraw/zinc/41/72/53/405417253.db2.gz RTDDDRDLDWKENP-BPLDGKMQSA-N 2 2 321.425 2.347 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573470 405459464 /nfs/dbraw/zinc/45/94/64/405459464.db2.gz QVYWAGZFULTALM-IUODEOHRSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573470 405459465 /nfs/dbraw/zinc/45/94/65/405459465.db2.gz QVYWAGZFULTALM-IUODEOHRSA-N 2 2 322.409 2.227 20 5 DEBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[NH2+]CC3)o2)c1 ZINC000430594343 405463866 /nfs/dbraw/zinc/46/38/66/405463866.db2.gz QRAGPOUHBLSDRJ-UHFFFAOYSA-N 2 2 316.361 2.088 20 5 DEBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[NH2+]CC3)o2)c1 ZINC000430594343 405463868 /nfs/dbraw/zinc/46/38/68/405463868.db2.gz QRAGPOUHBLSDRJ-UHFFFAOYSA-N 2 2 316.361 2.088 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611549 405466527 /nfs/dbraw/zinc/46/65/27/405466527.db2.gz OMZHCHNMTHMTKC-GXTWGEPZSA-N 2 2 323.393 2.184 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611549 405466529 /nfs/dbraw/zinc/46/65/29/405466529.db2.gz OMZHCHNMTHMTKC-GXTWGEPZSA-N 2 2 323.393 2.184 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459551102 405952672 /nfs/dbraw/zinc/95/26/72/405952672.db2.gz RDXHGRYOEHMTEI-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000533865802 406165120 /nfs/dbraw/zinc/16/51/20/406165120.db2.gz BATSZHNCARAMKZ-AWEZNQCLSA-N 2 2 300.362 2.360 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000533865802 406165124 /nfs/dbraw/zinc/16/51/24/406165124.db2.gz BATSZHNCARAMKZ-AWEZNQCLSA-N 2 2 300.362 2.360 20 5 DEBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[NH+]3CCCC3)c2c1 ZINC000413046395 424940414 /nfs/dbraw/zinc/94/04/14/424940414.db2.gz ZLPWWGZNQSQJME-UHFFFAOYSA-N 2 2 300.362 3.041 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000430229140 269127399 /nfs/dbraw/zinc/12/73/99/269127399.db2.gz VAAHLWNZTDEAEO-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000430229140 269127401 /nfs/dbraw/zinc/12/74/01/269127401.db2.gz VAAHLWNZTDEAEO-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000430229140 269127403 /nfs/dbraw/zinc/12/74/03/269127403.db2.gz VAAHLWNZTDEAEO-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000430229140 269127404 /nfs/dbraw/zinc/12/74/04/269127404.db2.gz VAAHLWNZTDEAEO-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP C[NH2+]CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000903572471 643393894 /nfs/dbraw/zinc/39/38/94/643393894.db2.gz RLDKFLCACDRSHC-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000903572471 643393900 /nfs/dbraw/zinc/39/39/00/643393900.db2.gz RLDKFLCACDRSHC-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618372 647035681 /nfs/dbraw/zinc/03/56/81/647035681.db2.gz JZMANPMJTLURNM-CMPLNLGQSA-N 2 2 301.350 2.039 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925488714 693280977 /nfs/dbraw/zinc/28/09/77/693280977.db2.gz FNVRHTOUAIXALO-KBMXLJTQSA-N 2 2 319.405 2.470 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052004 785023509 /nfs/dbraw/zinc/02/35/09/785023509.db2.gz FKLMGCRGPMQBSH-SOUVJXGZSA-N 2 2 305.378 2.289 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052004 785023510 /nfs/dbraw/zinc/02/35/10/785023510.db2.gz FKLMGCRGPMQBSH-SOUVJXGZSA-N 2 2 305.378 2.289 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001169054588 785024719 /nfs/dbraw/zinc/02/47/19/785024719.db2.gz MRXHAEWYIRPPLN-GXTWGEPZSA-N 2 2 322.384 2.225 20 5 DEBDLP CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000592488297 357885029 /nfs/dbraw/zinc/88/50/29/357885029.db2.gz JVESGDLLHBXASZ-CMPLNLGQSA-N 2 2 304.350 2.295 20 5 DEBDLP CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000592488297 357885034 /nfs/dbraw/zinc/88/50/34/357885034.db2.gz JVESGDLLHBXASZ-CMPLNLGQSA-N 2 2 304.350 2.295 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593968978 358180698 /nfs/dbraw/zinc/18/06/98/358180698.db2.gz UPDBFUUINLZNKZ-CYBMUJFWSA-N 2 2 316.361 2.197 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593968978 358180705 /nfs/dbraw/zinc/18/07/05/358180705.db2.gz UPDBFUUINLZNKZ-CYBMUJFWSA-N 2 2 316.361 2.197 20 5 DEBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000602495905 360404763 /nfs/dbraw/zinc/40/47/63/360404763.db2.gz ZHPPBWXKKDKEHZ-GHMZBOCLSA-N 2 2 315.295 2.265 20 5 DEBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118351 240077103 /nfs/dbraw/zinc/07/71/03/240077103.db2.gz RZSVZPQTUIOZEN-HOCLYGCPSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118351 240077111 /nfs/dbraw/zinc/07/71/11/240077111.db2.gz RZSVZPQTUIOZEN-HOCLYGCPSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000358314389 147112230 /nfs/dbraw/zinc/11/22/30/147112230.db2.gz XKYQWBIGTAWQJD-UHFFFAOYSA-N 2 2 307.394 2.104 20 5 DEBDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000119135727 401928493 /nfs/dbraw/zinc/92/84/93/401928493.db2.gz UZFIUNIMXDQFCI-HNNXBMFYSA-N 2 2 318.421 2.201 20 5 DEBDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000119135727 401928494 /nfs/dbraw/zinc/92/84/94/401928494.db2.gz UZFIUNIMXDQFCI-HNNXBMFYSA-N 2 2 318.421 2.201 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246909869 402549094 /nfs/dbraw/zinc/54/90/94/402549094.db2.gz FVFDQSJEFCZZNY-YWPYICTPSA-N 2 2 307.394 2.422 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246909869 402549098 /nfs/dbraw/zinc/54/90/98/402549098.db2.gz FVFDQSJEFCZZNY-YWPYICTPSA-N 2 2 307.394 2.422 20 5 DEBDLP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415036467 404792963 /nfs/dbraw/zinc/79/29/63/404792963.db2.gz JXWHEWSAKOUJFW-AWEZNQCLSA-N 2 2 307.394 2.186 20 5 DEBDLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127984 404813686 /nfs/dbraw/zinc/81/36/86/404813686.db2.gz NQTNYZWZHYXKGN-YPMHNXCESA-N 2 2 323.393 2.029 20 5 DEBDLP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127984 404813691 /nfs/dbraw/zinc/81/36/91/404813691.db2.gz NQTNYZWZHYXKGN-YPMHNXCESA-N 2 2 323.393 2.029 20 5 DEBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420357710 405330836 /nfs/dbraw/zinc/33/08/36/405330836.db2.gz SPNOZCNCPPABSG-FZMZJTMJSA-N 2 2 316.361 2.214 20 5 DEBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420357710 405330839 /nfs/dbraw/zinc/33/08/39/405330839.db2.gz SPNOZCNCPPABSG-FZMZJTMJSA-N 2 2 316.361 2.214 20 5 DEBDLP Cc1cc(N2CC[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420188627 405293246 /nfs/dbraw/zinc/29/32/46/405293246.db2.gz FPFHHHCYIZLDAO-LBPRGKRZSA-N 2 2 313.361 2.158 20 5 DEBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430593339 405463747 /nfs/dbraw/zinc/46/37/47/405463747.db2.gz IUFNMBPYSQJPBY-UHFFFAOYSA-N 2 2 319.405 2.438 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000559758080 405752418 /nfs/dbraw/zinc/75/24/18/405752418.db2.gz DFIMWNMATFGLNP-INIZCTEOSA-N 2 2 319.405 2.282 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000559758080 405752420 /nfs/dbraw/zinc/75/24/20/405752420.db2.gz DFIMWNMATFGLNP-INIZCTEOSA-N 2 2 319.405 2.282 20 5 DEBDLP CCC[NH2+]CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423306665 405753528 /nfs/dbraw/zinc/75/35/28/405753528.db2.gz FLIBPPDFERTESJ-HNNXBMFYSA-N 2 2 317.393 2.007 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC[NH+](C4CC4)CC3)nc2c1 ZINC000298029943 534883744 /nfs/dbraw/zinc/88/37/44/534883744.db2.gz FTHAIZDNNRMNRS-UHFFFAOYSA-N 2 2 315.377 2.188 20 5 DEBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000906517726 644269169 /nfs/dbraw/zinc/26/91/69/644269169.db2.gz NZKUONXAGZLJDW-XYPYZODXSA-N 2 2 304.375 2.298 20 5 DEBDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628135 647037148 /nfs/dbraw/zinc/03/71/48/647037148.db2.gz RUTTVEOSHCIMEV-ONGXEEELSA-N 2 2 301.350 2.108 20 5 DEBDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819078993 647579605 /nfs/dbraw/zinc/57/96/05/647579605.db2.gz PKXGKHKLWANOBI-GDBMZVCRSA-N 2 2 307.394 2.092 20 5 DEBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105034 652340959 /nfs/dbraw/zinc/34/09/59/652340959.db2.gz HXJDPRQEKGSZKT-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105034 652340961 /nfs/dbraw/zinc/34/09/61/652340961.db2.gz HXJDPRQEKGSZKT-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105034 652340964 /nfs/dbraw/zinc/34/09/64/652340964.db2.gz HXJDPRQEKGSZKT-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105034 652340967 /nfs/dbraw/zinc/34/09/67/652340967.db2.gz HXJDPRQEKGSZKT-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP COc1ccc(C[C@H](C)n2cc[nH+]c2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170297921 786893136 /nfs/dbraw/zinc/89/31/36/786893136.db2.gz VWNSDBHTZHMZBB-NSHDSACASA-N 2 2 304.350 2.105 20 5 DEBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)ccc2C=C[N+](=O)[O-])CC1 ZINC001168740832 1086178993 /nfs/dbraw/zinc/17/89/93/1086178993.db2.gz OZVCAIXPTZDNOB-SNAWJCMRSA-N 2 2 323.784 2.181 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1F ZINC001246358935 1140887831 /nfs/dbraw/zinc/88/78/31/1140887831.db2.gz RPRPJZSIXNKSGW-WDEREUQCSA-N 2 2 311.357 2.015 20 5 DEBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344183 529801055 /nfs/dbraw/zinc/80/10/55/529801055.db2.gz PQQAQCNOHAKLOE-DLBZAZTESA-N 2 2 319.405 2.019 20 5 DEBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344183 529801056 /nfs/dbraw/zinc/80/10/56/529801056.db2.gz PQQAQCNOHAKLOE-DLBZAZTESA-N 2 2 319.405 2.019 20 5 DEBDLP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000277239868 213388092 /nfs/dbraw/zinc/38/80/92/213388092.db2.gz PKURFJTXKDAAIP-CQSZACIVSA-N 2 2 307.394 2.390 20 5 DEBDLP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000277239868 213388097 /nfs/dbraw/zinc/38/80/97/213388097.db2.gz PKURFJTXKDAAIP-CQSZACIVSA-N 2 2 307.394 2.390 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605227 357566588 /nfs/dbraw/zinc/56/65/88/357566588.db2.gz FIXHHNPFBPLYCT-DZGCQCFKSA-N 2 2 309.410 2.255 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605227 357566589 /nfs/dbraw/zinc/56/65/89/357566589.db2.gz FIXHHNPFBPLYCT-DZGCQCFKSA-N 2 2 309.410 2.255 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395401 358439507 /nfs/dbraw/zinc/43/95/07/358439507.db2.gz VGRJLEQERNCXLZ-ZYHUDNBSSA-N 2 2 305.338 2.171 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395401 358439509 /nfs/dbraw/zinc/43/95/09/358439509.db2.gz VGRJLEQERNCXLZ-ZYHUDNBSSA-N 2 2 305.338 2.171 20 5 DEBDLP CC(C)c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1[N+](=O)[O-] ZINC000602022204 360243848 /nfs/dbraw/zinc/24/38/48/360243848.db2.gz RKSCSEMLWBFRSP-UHFFFAOYSA-N 2 2 321.421 2.265 20 5 DEBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602512163 360411220 /nfs/dbraw/zinc/41/12/20/360411220.db2.gz XHRCZJLVQNFNSR-QGZVFWFLSA-N 2 2 321.421 2.084 20 5 DEBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602512163 360411225 /nfs/dbraw/zinc/41/12/25/360411225.db2.gz XHRCZJLVQNFNSR-QGZVFWFLSA-N 2 2 321.421 2.084 20 5 DEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347048989 146186367 /nfs/dbraw/zinc/18/63/67/146186367.db2.gz PNPHBVWBCWCEQG-GFCCVEGCSA-N 2 2 323.393 2.043 20 5 DEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347048989 146186368 /nfs/dbraw/zinc/18/63/68/146186368.db2.gz PNPHBVWBCWCEQG-GFCCVEGCSA-N 2 2 323.393 2.043 20 5 DEBDLP [NH3+]CCN(Cc1cccc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000348888633 146326828 /nfs/dbraw/zinc/32/68/28/146326828.db2.gz AZAAMEQZBSXTIL-UHFFFAOYSA-N 2 2 311.345 2.208 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289396 148083805 /nfs/dbraw/zinc/08/38/05/148083805.db2.gz KSEPZJHQLHOCMP-OIISXLGYSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289396 148083807 /nfs/dbraw/zinc/08/38/07/148083807.db2.gz KSEPZJHQLHOCMP-OIISXLGYSA-N 2 2 319.405 2.278 20 5 DEBDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268820692 403117571 /nfs/dbraw/zinc/11/75/71/403117571.db2.gz HMTRDFCAPWVVHX-ZDUSSCGKSA-N 2 2 307.394 2.092 20 5 DEBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063361 406860595 /nfs/dbraw/zinc/86/05/95/406860595.db2.gz BPOCZCDJZVQDMH-KFWWJZLASA-N 2 2 321.425 2.206 20 5 DEBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063361 406860596 /nfs/dbraw/zinc/86/05/96/406860596.db2.gz BPOCZCDJZVQDMH-KFWWJZLASA-N 2 2 321.425 2.206 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000892620822 625200164 /nfs/dbraw/zinc/20/01/64/625200164.db2.gz DOEOAYCWWCXBOS-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903486357 643366935 /nfs/dbraw/zinc/36/69/35/643366935.db2.gz UWWOQDFOECSPHV-HNNXBMFYSA-N 2 2 305.378 2.238 20 5 DEBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104436 652340621 /nfs/dbraw/zinc/34/06/21/652340621.db2.gz BUDZVRNBPPMNOF-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104436 652340622 /nfs/dbraw/zinc/34/06/22/652340622.db2.gz BUDZVRNBPPMNOF-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104436 652340625 /nfs/dbraw/zinc/34/06/25/652340625.db2.gz BUDZVRNBPPMNOF-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104436 652340632 /nfs/dbraw/zinc/34/06/32/652340632.db2.gz BUDZVRNBPPMNOF-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@@H+]1C[C@]2(C)C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000931309927 694363424 /nfs/dbraw/zinc/36/34/24/694363424.db2.gz VDDFAIWUVFEGJD-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[N@H+]1C[C@]2(C)C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000931309927 694363425 /nfs/dbraw/zinc/36/34/25/694363425.db2.gz VDDFAIWUVFEGJD-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[NH+]1C[C@]2(C)C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000931309927 694363426 /nfs/dbraw/zinc/36/34/26/694363426.db2.gz VDDFAIWUVFEGJD-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[NH+]1C[C@]2(C)C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000931309927 694363428 /nfs/dbraw/zinc/36/34/28/694363428.db2.gz VDDFAIWUVFEGJD-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP CC(C)[C@H](C[NH+](C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001357241768 1152274890 /nfs/dbraw/zinc/27/48/90/1152274890.db2.gz IXNSOJSDLMIEFT-AWEZNQCLSA-N 2 2 322.409 2.099 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001169042522 785013816 /nfs/dbraw/zinc/01/38/16/785013816.db2.gz FJGDJAMNDYFBPE-DZGCQCFKSA-N 2 2 304.394 2.085 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]CCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC001170326665 786909060 /nfs/dbraw/zinc/90/90/60/786909060.db2.gz BINMQPKRSHOGJD-LBPRGKRZSA-N 2 2 318.377 2.100 20 5 DEBDLP CC1CC[NH+](CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254567433 1143256204 /nfs/dbraw/zinc/25/62/04/1143256204.db2.gz OBHSYDVEPUIICC-INIZCTEOSA-N 2 2 303.406 2.384 20 5 DEBDLP CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430948246 283257070 /nfs/dbraw/zinc/25/70/70/283257070.db2.gz HRYWEUPIOWXGBT-CYBMUJFWSA-N 2 2 323.393 2.056 20 5 DEBDLP CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430948246 283257071 /nfs/dbraw/zinc/25/70/71/283257071.db2.gz HRYWEUPIOWXGBT-CYBMUJFWSA-N 2 2 323.393 2.056 20 5 DEBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602512162 360411400 /nfs/dbraw/zinc/41/14/00/360411400.db2.gz XHRCZJLVQNFNSR-KRWDZBQOSA-N 2 2 321.421 2.084 20 5 DEBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602512162 360411406 /nfs/dbraw/zinc/41/14/06/360411406.db2.gz XHRCZJLVQNFNSR-KRWDZBQOSA-N 2 2 321.421 2.084 20 5 DEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000602765930 360542499 /nfs/dbraw/zinc/54/24/99/360542499.db2.gz MTPHSEIOULALNJ-UHFFFAOYSA-N 2 2 321.425 2.050 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449337592 240377804 /nfs/dbraw/zinc/37/78/04/240377804.db2.gz QIPFWLKGEQPBMJ-AAEUAGOBSA-N 2 2 300.362 2.396 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449337592 240377815 /nfs/dbraw/zinc/37/78/15/240377815.db2.gz QIPFWLKGEQPBMJ-AAEUAGOBSA-N 2 2 300.362 2.396 20 5 DEBDLP COCC[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268837753 207002612 /nfs/dbraw/zinc/00/26/12/207002612.db2.gz LXJJTCWRXUGRPD-INIZCTEOSA-N 2 2 321.421 2.084 20 5 DEBDLP COCC[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268837753 207002618 /nfs/dbraw/zinc/00/26/18/207002618.db2.gz LXJJTCWRXUGRPD-INIZCTEOSA-N 2 2 321.421 2.084 20 5 DEBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182624950 285163532 /nfs/dbraw/zinc/16/35/32/285163532.db2.gz UIURQFVOBRTWOS-UHFFFAOYSA-N 2 2 315.377 2.004 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499071 221021328 /nfs/dbraw/zinc/02/13/28/221021328.db2.gz KJQVZPKEOQGUQB-SWLSCSKDSA-N 2 2 307.394 2.009 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499071 221021329 /nfs/dbraw/zinc/02/13/29/221021329.db2.gz KJQVZPKEOQGUQB-SWLSCSKDSA-N 2 2 307.394 2.009 20 5 DEBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536886 133277452 /nfs/dbraw/zinc/27/74/52/133277452.db2.gz FLROCLRCMSMQHU-VBNZEHGJSA-N 2 2 305.378 2.109 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269635621 403152232 /nfs/dbraw/zinc/15/22/32/403152232.db2.gz HJTUXXUDUGCXPU-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269635621 403152234 /nfs/dbraw/zinc/15/22/34/403152234.db2.gz HJTUXXUDUGCXPU-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663573 403155148 /nfs/dbraw/zinc/15/51/48/403155148.db2.gz REPSGDNTDXPBOE-ZFWWWQNUSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663573 403155150 /nfs/dbraw/zinc/15/51/50/403155150.db2.gz REPSGDNTDXPBOE-ZFWWWQNUSA-N 2 2 316.361 2.231 20 5 DEBDLP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893354 403382571 /nfs/dbraw/zinc/38/25/71/403382571.db2.gz GBDWTWDQHQMWAD-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893354 403382572 /nfs/dbraw/zinc/38/25/72/403382572.db2.gz GBDWTWDQHQMWAD-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893354 403382575 /nfs/dbraw/zinc/38/25/75/403382575.db2.gz GBDWTWDQHQMWAD-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893354 403382578 /nfs/dbraw/zinc/38/25/78/403382578.db2.gz GBDWTWDQHQMWAD-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750935 404347922 /nfs/dbraw/zinc/34/79/22/404347922.db2.gz OTDLCBYYXFZLMC-ZBFHGGJFSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750935 404347926 /nfs/dbraw/zinc/34/79/26/404347926.db2.gz OTDLCBYYXFZLMC-ZBFHGGJFSA-N 2 2 321.421 2.226 20 5 DEBDLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000419747288 405264509 /nfs/dbraw/zinc/26/45/09/405264509.db2.gz MWTAVDMOICHNGS-NSHDSACASA-N 2 2 303.366 2.245 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000430603194 405465405 /nfs/dbraw/zinc/46/54/05/405465405.db2.gz JDLOKOKCODATDG-CQSZACIVSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000430603194 405465406 /nfs/dbraw/zinc/46/54/06/405465406.db2.gz JDLOKOKCODATDG-CQSZACIVSA-N 2 2 320.393 2.045 20 5 DEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423492390 405825199 /nfs/dbraw/zinc/82/51/99/405825199.db2.gz MVXVYMBOLACOFZ-GXTWGEPZSA-N 2 2 323.393 2.023 20 5 DEBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449221676 279264548 /nfs/dbraw/zinc/26/45/48/279264548.db2.gz GZPDWCFDDZLYOG-HUUCEWRRSA-N 2 2 321.421 2.226 20 5 DEBDLP CCCC[N@H+](C)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000151802939 647020797 /nfs/dbraw/zinc/02/07/97/647020797.db2.gz NMINGMCPIFPDDW-UHFFFAOYSA-N 2 2 309.414 2.193 20 5 DEBDLP CCCC[N@@H+](C)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000151802939 647020799 /nfs/dbraw/zinc/02/07/99/647020799.db2.gz NMINGMCPIFPDDW-UHFFFAOYSA-N 2 2 309.414 2.193 20 5 DEBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000819080974 647579600 /nfs/dbraw/zinc/57/96/00/647579600.db2.gz NRWIXJPIBGERNZ-HNNXBMFYSA-N 2 2 316.361 2.115 20 5 DEBDLP O=[N+]([O-])c1ccnn1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155079075 648179919 /nfs/dbraw/zinc/17/99/19/648179919.db2.gz GMQWKQOUOIILKB-UHFFFAOYSA-N 2 2 321.425 2.337 20 5 DEBDLP C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000872034955 688917024 /nfs/dbraw/zinc/91/70/24/688917024.db2.gz SKBDJBHPIIXEOT-OLZOCXBDSA-N 2 2 324.400 2.020 20 5 DEBDLP Cc1c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000872148528 688937308 /nfs/dbraw/zinc/93/73/08/688937308.db2.gz JSBGIIMGNAUCCI-RYUDHWBXSA-N 2 2 317.311 2.472 20 5 DEBDLP Cc1c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000872148528 688937310 /nfs/dbraw/zinc/93/73/10/688937310.db2.gz JSBGIIMGNAUCCI-RYUDHWBXSA-N 2 2 317.311 2.472 20 5 DEBDLP CC(C)C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000876924496 689974319 /nfs/dbraw/zinc/97/43/19/689974319.db2.gz NUYKJWAAZMDJMV-JXQTWKCFSA-N 2 2 309.414 2.061 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170295581 786891754 /nfs/dbraw/zinc/89/17/54/786891754.db2.gz VRASYBOYNRLNJG-ZDUSSCGKSA-N 2 2 307.394 2.220 20 5 DEBDLP COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246658822 1141028065 /nfs/dbraw/zinc/02/80/65/1141028065.db2.gz ASNAPTHQYVPPGO-DXCKQFNASA-N 2 2 319.405 2.348 20 5 DEBDLP COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246658822 1141028072 /nfs/dbraw/zinc/02/80/72/1141028072.db2.gz ASNAPTHQYVPPGO-DXCKQFNASA-N 2 2 319.405 2.348 20 5 DEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591578014 357738474 /nfs/dbraw/zinc/73/84/74/357738474.db2.gz MGPFBFQLBHXAEQ-OCCSQVGLSA-N 2 2 320.393 2.044 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181055551 199245792 /nfs/dbraw/zinc/24/57/92/199245792.db2.gz RTVXFYIQEHJFLG-UHFFFAOYSA-N 2 2 304.350 2.322 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181055551 199245794 /nfs/dbraw/zinc/24/57/94/199245794.db2.gz RTVXFYIQEHJFLG-UHFFFAOYSA-N 2 2 304.350 2.322 20 5 DEBDLP Cc1ccc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877817 133368937 /nfs/dbraw/zinc/36/89/37/133368937.db2.gz BRMNDIHLYBLPRK-CQSZACIVSA-N 2 2 318.421 2.484 20 5 DEBDLP Cc1ccc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877817 133368938 /nfs/dbraw/zinc/36/89/38/133368938.db2.gz BRMNDIHLYBLPRK-CQSZACIVSA-N 2 2 318.421 2.484 20 5 DEBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640119 146115321 /nfs/dbraw/zinc/11/53/21/146115321.db2.gz AGVBNENXFIWSDI-VHSXEESVSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640119 146115323 /nfs/dbraw/zinc/11/53/23/146115323.db2.gz AGVBNENXFIWSDI-VHSXEESVSA-N 2 2 315.320 2.365 20 5 DEBDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122413129 402077504 /nfs/dbraw/zinc/07/75/04/402077504.db2.gz JQTOILUFGJVGKQ-DOMZBBRYSA-N 2 2 307.394 2.423 20 5 DEBDLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122413129 402077505 /nfs/dbraw/zinc/07/75/05/402077505.db2.gz JQTOILUFGJVGKQ-DOMZBBRYSA-N 2 2 307.394 2.423 20 5 DEBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000267223625 403026813 /nfs/dbraw/zinc/02/68/13/403026813.db2.gz UAZWXSJXXLRQEO-UHFFFAOYSA-N 2 2 310.373 2.172 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269636358 403152395 /nfs/dbraw/zinc/15/23/95/403152395.db2.gz HJTUXXUDUGCXPU-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269636358 403152396 /nfs/dbraw/zinc/15/23/96/403152396.db2.gz HJTUXXUDUGCXPU-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP Cc1cc(N[C@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343791344 403735475 /nfs/dbraw/zinc/73/54/75/403735475.db2.gz MCHJSUBAMCIWTK-GFCCVEGCSA-N 2 2 315.377 2.144 20 5 DEBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305146191 403850309 /nfs/dbraw/zinc/85/03/09/403850309.db2.gz RWKHYUKXHRODTP-PBHICJAKSA-N 2 2 321.421 2.338 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337820829 404261002 /nfs/dbraw/zinc/26/10/02/404261002.db2.gz UGRDERNPNZQKPA-UONOGXRCSA-N 2 2 305.378 2.320 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337820829 404261012 /nfs/dbraw/zinc/26/10/12/404261012.db2.gz UGRDERNPNZQKPA-UONOGXRCSA-N 2 2 305.378 2.320 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352519604 404432359 /nfs/dbraw/zinc/43/23/59/404432359.db2.gz QATGJJFDRKNTGZ-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352519604 404432363 /nfs/dbraw/zinc/43/23/63/404432363.db2.gz QATGJJFDRKNTGZ-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588688 405462604 /nfs/dbraw/zinc/46/26/04/405462604.db2.gz AFJJRSIMIGSDSP-OLZOCXBDSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588688 405462605 /nfs/dbraw/zinc/46/26/05/405462605.db2.gz AFJJRSIMIGSDSP-OLZOCXBDSA-N 2 2 322.409 2.227 20 5 DEBDLP C[C@H](C[NH3+])[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430943216 405538693 /nfs/dbraw/zinc/53/86/93/405538693.db2.gz OGDLBSLYIKJWFV-LLVKDONJSA-N 2 2 304.350 2.071 20 5 DEBDLP C[C@H](C[NH3+])[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430943216 405538697 /nfs/dbraw/zinc/53/86/97/405538697.db2.gz OGDLBSLYIKJWFV-LLVKDONJSA-N 2 2 304.350 2.071 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000559758081 405752390 /nfs/dbraw/zinc/75/23/90/405752390.db2.gz DFIMWNMATFGLNP-MRXNPFEDSA-N 2 2 319.405 2.282 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000559758081 405752399 /nfs/dbraw/zinc/75/23/99/405752399.db2.gz DFIMWNMATFGLNP-MRXNPFEDSA-N 2 2 319.405 2.282 20 5 DEBDLP Cc1c(NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000459553736 405952177 /nfs/dbraw/zinc/95/21/77/405952177.db2.gz ZJWLODMFQBSYMJ-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580291 406191615 /nfs/dbraw/zinc/19/16/15/406191615.db2.gz ZTYDIAPOORLIQV-ZDUSSCGKSA-N 2 2 316.361 2.197 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580291 406191620 /nfs/dbraw/zinc/19/16/20/406191620.db2.gz ZTYDIAPOORLIQV-ZDUSSCGKSA-N 2 2 316.361 2.197 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430566465 302040697 /nfs/dbraw/zinc/04/06/97/302040697.db2.gz CMVUPNOMSHMTHQ-CYBMUJFWSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430566465 302040700 /nfs/dbraw/zinc/04/07/00/302040700.db2.gz CMVUPNOMSHMTHQ-CYBMUJFWSA-N 2 2 322.409 2.147 20 5 DEBDLP CC[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000573474143 326061821 /nfs/dbraw/zinc/06/18/21/326061821.db2.gz POPMVCBMJRFUGK-HNNXBMFYSA-N 2 2 317.393 2.007 20 5 DEBDLP CCO[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000922753581 636375456 /nfs/dbraw/zinc/37/54/56/636375456.db2.gz QOPGLYITCXBCKK-AWEZNQCLSA-N 2 2 309.410 2.268 20 5 DEBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000776593077 642190159 /nfs/dbraw/zinc/19/01/59/642190159.db2.gz VQWZOUJSLAEQAP-HNNXBMFYSA-N 2 2 316.361 2.231 20 5 DEBDLP Cc1noc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1[N+](=O)[O-] ZINC001198768527 798393231 /nfs/dbraw/zinc/39/32/31/798393231.db2.gz IHUJHDLJTNEZDR-UHFFFAOYSA-N 2 2 305.338 2.004 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977434 357384221 /nfs/dbraw/zinc/38/42/21/357384221.db2.gz ZCDRCAOXGXQDTF-GFCCVEGCSA-N 2 2 322.384 2.314 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977434 357384222 /nfs/dbraw/zinc/38/42/22/357384222.db2.gz ZCDRCAOXGXQDTF-GFCCVEGCSA-N 2 2 322.384 2.314 20 5 DEBDLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593960607 358179094 /nfs/dbraw/zinc/17/90/94/358179094.db2.gz AARBCCLUPQWEOL-UHFFFAOYSA-N 2 2 300.362 2.319 20 5 DEBDLP Cn1c[nH+]cc1CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593960607 358179098 /nfs/dbraw/zinc/17/90/98/358179098.db2.gz AARBCCLUPQWEOL-UHFFFAOYSA-N 2 2 300.362 2.319 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000595032691 358381512 /nfs/dbraw/zinc/38/15/12/358381512.db2.gz LBZVWKCWTZFITA-NWDGAFQWSA-N 2 2 316.361 2.466 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000602516778 360413657 /nfs/dbraw/zinc/41/36/57/360413657.db2.gz RDJISQLHPNHPTF-NEPJUHHUSA-N 2 2 316.361 2.452 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000602516778 360413663 /nfs/dbraw/zinc/41/36/63/360413663.db2.gz RDJISQLHPNHPTF-NEPJUHHUSA-N 2 2 316.361 2.452 20 5 DEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000609599039 361326016 /nfs/dbraw/zinc/32/60/16/361326016.db2.gz BFVIXNXFHUWQQN-QGZVFWFLSA-N 2 2 319.405 2.328 20 5 DEBDLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253981 147101576 /nfs/dbraw/zinc/10/15/76/147101576.db2.gz PICYVGXMECJQCT-HOTGVXAUSA-N 2 2 307.394 2.092 20 5 DEBDLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253981 147101579 /nfs/dbraw/zinc/10/15/79/147101579.db2.gz PICYVGXMECJQCT-HOTGVXAUSA-N 2 2 307.394 2.092 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000178729292 402531231 /nfs/dbraw/zinc/53/12/31/402531231.db2.gz FVFDQSJEFCZZNY-LALPHHSUSA-N 2 2 307.394 2.422 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000178729292 402531234 /nfs/dbraw/zinc/53/12/34/402531234.db2.gz FVFDQSJEFCZZNY-LALPHHSUSA-N 2 2 307.394 2.422 20 5 DEBDLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000268806455 403115810 /nfs/dbraw/zinc/11/58/10/403115810.db2.gz CPXORQKTDXHDQJ-UONOGXRCSA-N 2 2 307.394 2.011 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269636354 403152332 /nfs/dbraw/zinc/15/23/32/403152332.db2.gz HJTUXXUDUGCXPU-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269636354 403152335 /nfs/dbraw/zinc/15/23/35/403152335.db2.gz HJTUXXUDUGCXPU-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024165 403325123 /nfs/dbraw/zinc/32/51/23/403325123.db2.gz XBBOWMBNEFTXDR-IUODEOHRSA-N 2 2 305.378 2.217 20 5 DEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024165 403325126 /nfs/dbraw/zinc/32/51/26/403325126.db2.gz XBBOWMBNEFTXDR-IUODEOHRSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024165 403325129 /nfs/dbraw/zinc/32/51/29/403325129.db2.gz XBBOWMBNEFTXDR-IUODEOHRSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024165 403325131 /nfs/dbraw/zinc/32/51/31/403325131.db2.gz XBBOWMBNEFTXDR-IUODEOHRSA-N 2 2 305.378 2.217 20 5 DEBDLP C[C@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000332248042 403528509 /nfs/dbraw/zinc/52/85/09/403528509.db2.gz SXRBASVJJQEHNE-RYUDHWBXSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000332248042 403528513 /nfs/dbraw/zinc/52/85/13/403528513.db2.gz SXRBASVJJQEHNE-RYUDHWBXSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248042 403528516 /nfs/dbraw/zinc/52/85/16/403528516.db2.gz SXRBASVJJQEHNE-RYUDHWBXSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248042 403528518 /nfs/dbraw/zinc/52/85/18/403528518.db2.gz SXRBASVJJQEHNE-RYUDHWBXSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000304451960 403794369 /nfs/dbraw/zinc/79/43/69/403794369.db2.gz OSHKGVLNGCOXCK-YOEHRIQHSA-N 2 2 321.421 2.338 20 5 DEBDLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750933 404348517 /nfs/dbraw/zinc/34/85/17/404348517.db2.gz OTDLCBYYXFZLMC-GOEBONIOSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750933 404348524 /nfs/dbraw/zinc/34/85/24/404348524.db2.gz OTDLCBYYXFZLMC-GOEBONIOSA-N 2 2 321.421 2.226 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289395 404453909 /nfs/dbraw/zinc/45/39/09/404453909.db2.gz KSEPZJHQLHOCMP-HYVNUMGLSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289395 404453913 /nfs/dbraw/zinc/45/39/13/404453913.db2.gz KSEPZJHQLHOCMP-HYVNUMGLSA-N 2 2 319.405 2.278 20 5 DEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414829150 404743390 /nfs/dbraw/zinc/74/33/90/404743390.db2.gz NEZVRFNFEXJPRY-SNVBAGLBSA-N 2 2 315.320 2.285 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000584124149 405831473 /nfs/dbraw/zinc/83/14/73/405831473.db2.gz VPEYTNONYWGWPF-CJNGLKHVSA-N 2 2 319.405 2.019 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000584124149 405831477 /nfs/dbraw/zinc/83/14/77/405831477.db2.gz VPEYTNONYWGWPF-CJNGLKHVSA-N 2 2 319.405 2.019 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580290 406191074 /nfs/dbraw/zinc/19/10/74/406191074.db2.gz ZTYDIAPOORLIQV-CYBMUJFWSA-N 2 2 316.361 2.197 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580290 406191082 /nfs/dbraw/zinc/19/10/82/406191082.db2.gz ZTYDIAPOORLIQV-CYBMUJFWSA-N 2 2 316.361 2.197 20 5 DEBDLP CC[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544762 276348968 /nfs/dbraw/zinc/34/89/68/276348968.db2.gz PQLNZMVTCHHQBF-HUUCEWRRSA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544762 276348970 /nfs/dbraw/zinc/34/89/70/276348970.db2.gz PQLNZMVTCHHQBF-HUUCEWRRSA-N 2 2 321.425 2.349 20 5 DEBDLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420362415 534676136 /nfs/dbraw/zinc/67/61/36/534676136.db2.gz OESJKBRKFQTKGZ-CQSZACIVSA-N 2 2 320.393 2.031 20 5 DEBDLP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCCCC1 ZINC000923421574 637175391 /nfs/dbraw/zinc/17/53/91/637175391.db2.gz GYCCEZXBHGVWIT-OAHLLOKOSA-N 2 2 307.394 2.222 20 5 DEBDLP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCCCC1 ZINC000923421574 637175396 /nfs/dbraw/zinc/17/53/96/637175396.db2.gz GYCCEZXBHGVWIT-OAHLLOKOSA-N 2 2 307.394 2.222 20 5 DEBDLP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621471 640871558 /nfs/dbraw/zinc/87/15/58/640871558.db2.gz CGNUYATZCKPLOK-XUXNBKRGSA-N 2 2 301.390 2.492 20 5 DEBDLP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621471 640871559 /nfs/dbraw/zinc/87/15/59/640871559.db2.gz CGNUYATZCKPLOK-XUXNBKRGSA-N 2 2 301.390 2.492 20 5 DEBDLP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621471 640871560 /nfs/dbraw/zinc/87/15/60/640871560.db2.gz CGNUYATZCKPLOK-XUXNBKRGSA-N 2 2 301.390 2.492 20 5 DEBDLP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621471 640871562 /nfs/dbraw/zinc/87/15/62/640871562.db2.gz CGNUYATZCKPLOK-XUXNBKRGSA-N 2 2 301.390 2.492 20 5 DEBDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588674 642189194 /nfs/dbraw/zinc/18/91/94/642189194.db2.gz NMVROUYFAGAFMI-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588674 642189196 /nfs/dbraw/zinc/18/91/96/642189196.db2.gz NMVROUYFAGAFMI-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588674 642189202 /nfs/dbraw/zinc/18/92/02/642189202.db2.gz NMVROUYFAGAFMI-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588674 642189204 /nfs/dbraw/zinc/18/92/04/642189204.db2.gz NMVROUYFAGAFMI-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000877619061 690169271 /nfs/dbraw/zinc/16/92/71/690169271.db2.gz MZDCCGCTMHEKLA-BCAXMMLOSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000877619061 690169274 /nfs/dbraw/zinc/16/92/74/690169274.db2.gz MZDCCGCTMHEKLA-BCAXMMLOSA-N 2 2 319.409 2.101 20 5 DEBDLP C[NH+](C)C1(C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931350551 694375942 /nfs/dbraw/zinc/37/59/42/694375942.db2.gz OFUFWQSQVVNICU-UHFFFAOYSA-N 2 2 307.394 2.390 20 5 DEBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000931435374 694394709 /nfs/dbraw/zinc/39/47/09/694394709.db2.gz CNIMSDPYGWBIBL-WCQYABFASA-N 2 2 323.368 2.126 20 5 DEBDLP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000931435374 694394712 /nfs/dbraw/zinc/39/47/12/694394712.db2.gz CNIMSDPYGWBIBL-WCQYABFASA-N 2 2 323.368 2.126 20 5 DEBDLP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000931435374 694394716 /nfs/dbraw/zinc/39/47/16/694394716.db2.gz CNIMSDPYGWBIBL-WCQYABFASA-N 2 2 323.368 2.126 20 5 DEBDLP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000931435374 694394719 /nfs/dbraw/zinc/39/47/19/694394719.db2.gz CNIMSDPYGWBIBL-WCQYABFASA-N 2 2 323.368 2.126 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCn2cc[nH+]c2)c1F ZINC001173174986 793619091 /nfs/dbraw/zinc/61/90/91/793619091.db2.gz HUHWCLIBOKYUBR-NSHDSACASA-N 2 2 322.340 2.160 20 5 DEBDLP O=[N+]([O-])c1cccc2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c21 ZINC001155062496 797672366 /nfs/dbraw/zinc/67/23/66/797672366.db2.gz CLIPIZBONBPDTB-UHFFFAOYSA-N 2 2 324.344 2.191 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001461832104 1058722345 /nfs/dbraw/zinc/72/23/45/1058722345.db2.gz SAFQDRKDAURVDE-APHBMKBZSA-N 2 2 319.405 2.423 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001461832104 1058722362 /nfs/dbraw/zinc/72/23/62/1058722362.db2.gz SAFQDRKDAURVDE-APHBMKBZSA-N 2 2 319.405 2.423 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001254589832 1143270051 /nfs/dbraw/zinc/27/00/51/1143270051.db2.gz RTRUOMGSTNACLL-OAHLLOKOSA-N 2 2 308.341 2.500 20 5 DEBDLP CC[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598052 1143272281 /nfs/dbraw/zinc/27/22/81/1143272281.db2.gz GYFLCLZTUWNFQK-QGZVFWFLSA-N 2 2 303.406 2.478 20 5 DEBDLP CC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598052 1143272291 /nfs/dbraw/zinc/27/22/91/1143272291.db2.gz GYFLCLZTUWNFQK-QGZVFWFLSA-N 2 2 303.406 2.478 20 5 DEBDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611690 1143282619 /nfs/dbraw/zinc/28/26/19/1143282619.db2.gz RMSKDHPHBYKFRV-MRXNPFEDSA-N 2 2 300.362 2.281 20 5 DEBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611690 1143282622 /nfs/dbraw/zinc/28/26/22/1143282622.db2.gz RMSKDHPHBYKFRV-MRXNPFEDSA-N 2 2 300.362 2.281 20 5 DEBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506513 358468251 /nfs/dbraw/zinc/46/82/51/358468251.db2.gz DVDBMTWRZMTOCY-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506513 358468255 /nfs/dbraw/zinc/46/82/55/358468255.db2.gz DVDBMTWRZMTOCY-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506513 358468261 /nfs/dbraw/zinc/46/82/61/358468261.db2.gz DVDBMTWRZMTOCY-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506513 358468265 /nfs/dbraw/zinc/46/82/65/358468265.db2.gz DVDBMTWRZMTOCY-KRWDZBQOSA-N 2 2 319.405 2.391 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471286 357882305 /nfs/dbraw/zinc/88/23/05/357882305.db2.gz QOWHXVPNFALACL-UHFFFAOYSA-N 2 2 305.378 2.320 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471286 357882309 /nfs/dbraw/zinc/88/23/09/357882309.db2.gz QOWHXVPNFALACL-UHFFFAOYSA-N 2 2 305.378 2.320 20 5 DEBDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602546768 360427197 /nfs/dbraw/zinc/42/71/97/360427197.db2.gz FRDFLHDNLQIOQZ-LLVKDONJSA-N 2 2 304.350 2.167 20 5 DEBDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602546768 360427199 /nfs/dbraw/zinc/42/71/99/360427199.db2.gz FRDFLHDNLQIOQZ-LLVKDONJSA-N 2 2 304.350 2.167 20 5 DEBDLP CC[NH+](CC)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000191439780 145058134 /nfs/dbraw/zinc/05/81/34/145058134.db2.gz GYBGOGXILICJGI-UHFFFAOYSA-N 2 2 320.437 2.449 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803256 402244341 /nfs/dbraw/zinc/24/43/41/402244341.db2.gz CXBSWRTXMJBFQS-MRXNPFEDSA-N 2 2 319.405 2.139 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803256 402244343 /nfs/dbraw/zinc/24/43/43/402244343.db2.gz CXBSWRTXMJBFQS-MRXNPFEDSA-N 2 2 319.405 2.139 20 5 DEBDLP C[NH+](C)C1CC[NH+](CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000267173264 403021954 /nfs/dbraw/zinc/02/19/54/403021954.db2.gz IOLZTADSTCKKCS-UHFFFAOYSA-N 2 2 310.373 2.172 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000363031646 404050307 /nfs/dbraw/zinc/05/03/07/404050307.db2.gz NQYDEDXGAFKTCA-LBPRGKRZSA-N 2 2 322.384 2.314 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000363031646 404050314 /nfs/dbraw/zinc/05/03/14/404050314.db2.gz NQYDEDXGAFKTCA-LBPRGKRZSA-N 2 2 322.384 2.314 20 5 DEBDLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414827223 404742609 /nfs/dbraw/zinc/74/26/09/404742609.db2.gz GWCCFUDUNKTHNQ-AWEZNQCLSA-N 2 2 301.346 2.393 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000584124150 405831677 /nfs/dbraw/zinc/83/16/77/405831677.db2.gz VPEYTNONYWGWPF-CZUORRHYSA-N 2 2 319.405 2.019 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000584124150 405831681 /nfs/dbraw/zinc/83/16/81/405831681.db2.gz VPEYTNONYWGWPF-CZUORRHYSA-N 2 2 319.405 2.019 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000532479774 406078468 /nfs/dbraw/zinc/07/84/68/406078468.db2.gz MMQJOQBIHJAMGY-UKRRQHHQSA-N 2 2 307.394 2.011 20 5 DEBDLP COC[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423416812 277609807 /nfs/dbraw/zinc/60/98/07/277609807.db2.gz RGYGKTMJPSGLOA-DLBZAZTESA-N 2 2 319.405 2.330 20 5 DEBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449221675 278232196 /nfs/dbraw/zinc/23/21/96/278232196.db2.gz GZPDWCFDDZLYOG-GJZGRUSLSA-N 2 2 321.421 2.226 20 5 DEBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105036 652340557 /nfs/dbraw/zinc/34/05/57/652340557.db2.gz HXJDPRQEKGSZKT-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105036 652340559 /nfs/dbraw/zinc/34/05/59/652340559.db2.gz HXJDPRQEKGSZKT-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105036 652340565 /nfs/dbraw/zinc/34/05/65/652340565.db2.gz HXJDPRQEKGSZKT-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105036 652340567 /nfs/dbraw/zinc/34/05/67/652340567.db2.gz HXJDPRQEKGSZKT-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877485669 690127973 /nfs/dbraw/zinc/12/79/73/690127973.db2.gz CLVCWABCPZUXTH-SSDMNJCBSA-N 2 2 321.425 2.205 20 5 DEBDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877485669 690127975 /nfs/dbraw/zinc/12/79/75/690127975.db2.gz CLVCWABCPZUXTH-SSDMNJCBSA-N 2 2 321.425 2.205 20 5 DEBDLP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931354767 694376471 /nfs/dbraw/zinc/37/64/71/694376471.db2.gz MSKHXLZODXHCBW-OAHLLOKOSA-N 2 2 307.394 2.044 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001169042523 785014218 /nfs/dbraw/zinc/01/42/18/785014218.db2.gz FJGDJAMNDYFBPE-HIFRSBDPSA-N 2 2 304.394 2.085 20 5 DEBDLP O=[N+]([O-])c1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc2[nH]ccc21 ZINC001155063974 797673549 /nfs/dbraw/zinc/67/35/49/797673549.db2.gz KXAURKVXIYFFOR-UHFFFAOYSA-N 2 2 312.333 2.124 20 5 DEBDLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336703219 1142539291 /nfs/dbraw/zinc/53/92/91/1142539291.db2.gz IYFQJBCVXSVQLK-HNNXBMFYSA-N 2 2 318.377 2.238 20 5 DEBDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595100750 358389319 /nfs/dbraw/zinc/38/93/19/358389319.db2.gz IRVDHHCJHMDHIQ-SUMWQHHRSA-N 2 2 319.405 2.499 20 5 DEBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350991 358427543 /nfs/dbraw/zinc/42/75/43/358427543.db2.gz CZOOQIPRWXWTNA-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350991 358427545 /nfs/dbraw/zinc/42/75/45/358427545.db2.gz CZOOQIPRWXWTNA-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350991 358427551 /nfs/dbraw/zinc/42/75/51/358427551.db2.gz CZOOQIPRWXWTNA-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350991 358427556 /nfs/dbraw/zinc/42/75/56/358427556.db2.gz CZOOQIPRWXWTNA-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388899 358437147 /nfs/dbraw/zinc/43/71/47/358437147.db2.gz YOMZZCZHCFBHLP-GXTWGEPZSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388899 358437152 /nfs/dbraw/zinc/43/71/52/358437152.db2.gz YOMZZCZHCFBHLP-GXTWGEPZSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388899 358437154 /nfs/dbraw/zinc/43/71/54/358437154.db2.gz YOMZZCZHCFBHLP-GXTWGEPZSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388899 358437160 /nfs/dbraw/zinc/43/71/60/358437160.db2.gz YOMZZCZHCFBHLP-GXTWGEPZSA-N 2 2 320.393 2.340 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858743 402247382 /nfs/dbraw/zinc/24/73/82/402247382.db2.gz DWYDHNYJZOVOBR-OAHLLOKOSA-N 2 2 319.405 2.139 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858743 402247385 /nfs/dbraw/zinc/24/73/85/402247385.db2.gz DWYDHNYJZOVOBR-OAHLLOKOSA-N 2 2 319.405 2.139 20 5 DEBDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266775358 402990634 /nfs/dbraw/zinc/99/06/34/402990634.db2.gz BUJHETWWGQUZPT-ZDUSSCGKSA-N 2 2 307.394 2.092 20 5 DEBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)n1 ZINC000331724593 403454561 /nfs/dbraw/zinc/45/45/61/403454561.db2.gz LUASNHSOFZBKDN-GJZGRUSLSA-N 2 2 321.425 2.351 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588687 405462641 /nfs/dbraw/zinc/46/26/41/405462641.db2.gz AFJJRSIMIGSDSP-CHWSQXEVSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588687 405462642 /nfs/dbraw/zinc/46/26/42/405462642.db2.gz AFJJRSIMIGSDSP-CHWSQXEVSA-N 2 2 322.409 2.227 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000532208285 406054638 /nfs/dbraw/zinc/05/46/38/406054638.db2.gz FILKSOJHRUBPQD-AWEZNQCLSA-N 2 2 321.421 2.401 20 5 DEBDLP CC(C)[N@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000571538695 406535021 /nfs/dbraw/zinc/53/50/21/406535021.db2.gz SXCBPYPJTGBFMN-HNNXBMFYSA-N 2 2 318.377 2.159 20 5 DEBDLP CC(C)[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000571538695 406535023 /nfs/dbraw/zinc/53/50/23/406535023.db2.gz SXCBPYPJTGBFMN-HNNXBMFYSA-N 2 2 318.377 2.159 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906466 228586337 /nfs/dbraw/zinc/58/63/37/228586337.db2.gz PTVRLHVJDYQCBR-INIZCTEOSA-N 2 2 307.394 2.473 20 5 DEBDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892668164 625255709 /nfs/dbraw/zinc/25/57/09/625255709.db2.gz IRVNYJGOWHRDPT-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892668164 625255711 /nfs/dbraw/zinc/25/57/11/625255711.db2.gz IRVNYJGOWHRDPT-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819078996 647579494 /nfs/dbraw/zinc/57/94/94/647579494.db2.gz PKXGKHKLWANOBI-ZBFHGGJFSA-N 2 2 307.394 2.092 20 5 DEBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458332 691517183 /nfs/dbraw/zinc/51/71/83/691517183.db2.gz FJHKRVYRBIIJDX-UHFFFAOYSA-N 2 2 305.378 2.192 20 5 DEBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458332 691517186 /nfs/dbraw/zinc/51/71/86/691517186.db2.gz FJHKRVYRBIIJDX-UHFFFAOYSA-N 2 2 305.378 2.192 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001169054590 785024778 /nfs/dbraw/zinc/02/47/78/785024778.db2.gz MRXHAEWYIRPPLN-JSGCOSHPSA-N 2 2 322.384 2.225 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170296737 786892662 /nfs/dbraw/zinc/89/26/62/786892662.db2.gz HXIOFYSFXJUSBR-TZMCWYRMSA-N 2 2 307.394 2.218 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170296737 786892672 /nfs/dbraw/zinc/89/26/72/786892672.db2.gz HXIOFYSFXJUSBR-TZMCWYRMSA-N 2 2 307.394 2.218 20 5 DEBDLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900646 793523295 /nfs/dbraw/zinc/52/32/95/793523295.db2.gz XIWFNVIQVVKXCJ-CQSZACIVSA-N 2 2 300.362 2.413 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001461832107 1058720009 /nfs/dbraw/zinc/72/00/09/1058720009.db2.gz SAFQDRKDAURVDE-VBNZEHGJSA-N 2 2 319.405 2.423 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001461832107 1058720025 /nfs/dbraw/zinc/72/00/25/1058720025.db2.gz SAFQDRKDAURVDE-VBNZEHGJSA-N 2 2 319.405 2.423 20 5 DEBDLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC001621569630 1078177818 /nfs/dbraw/zinc/17/78/18/1078177818.db2.gz AQMJJGWXBBHEOD-UHTWSYAYSA-N 2 2 316.361 2.166 20 5 DEBDLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC001621569630 1078177820 /nfs/dbraw/zinc/17/78/20/1078177820.db2.gz AQMJJGWXBBHEOD-UHTWSYAYSA-N 2 2 316.361 2.166 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001657641852 1080180538 /nfs/dbraw/zinc/18/05/38/1080180538.db2.gz BNNUKZZYYMYEHG-UHFFFAOYSA-N 2 2 316.361 2.354 20 5 DEBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001168741317 1086187771 /nfs/dbraw/zinc/18/77/71/1086187771.db2.gz XATWAMZNEVUWQQ-UHFFFAOYSA-N 2 2 313.361 2.342 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1F ZINC001246187543 1140871759 /nfs/dbraw/zinc/87/17/59/1140871759.db2.gz PITGSTFRECZAMP-WDEREUQCSA-N 2 2 311.357 2.015 20 5 DEBDLP COCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928131 1141126024 /nfs/dbraw/zinc/12/60/24/1141126024.db2.gz JEUUYSYZILYOBL-RHSMWYFYSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928131 1141126059 /nfs/dbraw/zinc/12/60/59/1141126059.db2.gz JEUUYSYZILYOBL-RHSMWYFYSA-N 2 2 321.421 2.226 20 5 DEBDLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772570 403122075 /nfs/dbraw/zinc/12/20/75/403122075.db2.gz YXPUHVZCIBSQCM-TZMCWYRMSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772570 403122076 /nfs/dbraw/zinc/12/20/76/403122076.db2.gz YXPUHVZCIBSQCM-TZMCWYRMSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772570 403122077 /nfs/dbraw/zinc/12/20/77/403122077.db2.gz YXPUHVZCIBSQCM-TZMCWYRMSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772570 403122079 /nfs/dbraw/zinc/12/20/79/403122079.db2.gz YXPUHVZCIBSQCM-TZMCWYRMSA-N 2 2 307.394 2.375 20 5 DEBDLP C[C@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000332248040 403528461 /nfs/dbraw/zinc/52/84/61/403528461.db2.gz SXRBASVJJQEHNE-NWDGAFQWSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000332248040 403528465 /nfs/dbraw/zinc/52/84/65/403528465.db2.gz SXRBASVJJQEHNE-NWDGAFQWSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@H]1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248040 403528467 /nfs/dbraw/zinc/52/84/67/403528467.db2.gz SXRBASVJJQEHNE-NWDGAFQWSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@H]1C[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248040 403528470 /nfs/dbraw/zinc/52/84/70/403528470.db2.gz SXRBASVJJQEHNE-NWDGAFQWSA-N 2 2 317.393 2.386 20 5 DEBDLP C[N@H+](C[C@@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284500 403894686 /nfs/dbraw/zinc/89/46/86/403894686.db2.gz AGXKSPJAFHPUGH-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP C[N@@H+](C[C@@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284500 403894692 /nfs/dbraw/zinc/89/46/92/403894692.db2.gz AGXKSPJAFHPUGH-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284500 403894697 /nfs/dbraw/zinc/89/46/97/403894697.db2.gz AGXKSPJAFHPUGH-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284500 403894703 /nfs/dbraw/zinc/89/47/03/403894703.db2.gz AGXKSPJAFHPUGH-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430598243 405464338 /nfs/dbraw/zinc/46/43/38/405464338.db2.gz SDBSYFSTJZNJFL-AWEZNQCLSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430598243 405464340 /nfs/dbraw/zinc/46/43/40/405464340.db2.gz SDBSYFSTJZNJFL-AWEZNQCLSA-N 2 2 322.409 2.147 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611551 405466836 /nfs/dbraw/zinc/46/68/36/405466836.db2.gz OMZHCHNMTHMTKC-OCCSQVGLSA-N 2 2 323.393 2.184 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611551 405466839 /nfs/dbraw/zinc/46/68/39/405466839.db2.gz OMZHCHNMTHMTKC-OCCSQVGLSA-N 2 2 323.393 2.184 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494413659 405690872 /nfs/dbraw/zinc/69/08/72/405690872.db2.gz TZFIVOVDYKSZCA-ZDUSSCGKSA-N 2 2 316.361 2.295 20 5 DEBDLP COCC[NH2+]CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423319125 405757596 /nfs/dbraw/zinc/75/75/96/405757596.db2.gz CGUPSGZEYQSYCG-OAHLLOKOSA-N 2 2 307.394 2.143 20 5 DEBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569863740 292447632 /nfs/dbraw/zinc/44/76/32/292447632.db2.gz PYHYEEJFWKOJEH-UHFFFAOYSA-N 2 2 321.768 2.294 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329700 229657986 /nfs/dbraw/zinc/65/79/86/229657986.db2.gz HDNITJJLQGLUEO-QWHCGFSZSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329700 229657990 /nfs/dbraw/zinc/65/79/90/229657990.db2.gz HDNITJJLQGLUEO-QWHCGFSZSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000895587202 638098272 /nfs/dbraw/zinc/09/82/72/638098272.db2.gz KZUCXZMOFGWPGR-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000895587202 638098273 /nfs/dbraw/zinc/09/82/73/638098273.db2.gz KZUCXZMOFGWPGR-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485182 643362982 /nfs/dbraw/zinc/36/29/82/643362982.db2.gz KMRKGRILBKAXSG-OAHLLOKOSA-N 2 2 305.378 2.238 20 5 DEBDLP C[C@@]1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000904301421 643630314 /nfs/dbraw/zinc/63/03/14/643630314.db2.gz HFNPHTNPPXFHGT-QGZVFWFLSA-N 2 2 318.421 2.107 20 5 DEBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872149017 688937625 /nfs/dbraw/zinc/93/76/25/688937625.db2.gz SEMJNDQLYMLTML-JQWIXIFHSA-N 2 2 303.284 2.164 20 5 DEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872149017 688937628 /nfs/dbraw/zinc/93/76/28/688937628.db2.gz SEMJNDQLYMLTML-JQWIXIFHSA-N 2 2 303.284 2.164 20 5 DEBDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877631792 690173549 /nfs/dbraw/zinc/17/35/49/690173549.db2.gz NMTFCCNWPGGDBO-NFOMZHRRSA-N 2 2 321.425 2.205 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081864 691999495 /nfs/dbraw/zinc/99/94/95/691999495.db2.gz ZTIBEFPFJRXJHN-XJKSGUPXSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081864 691999498 /nfs/dbraw/zinc/99/94/98/691999498.db2.gz ZTIBEFPFJRXJHN-XJKSGUPXSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081864 691999500 /nfs/dbraw/zinc/99/95/00/691999500.db2.gz ZTIBEFPFJRXJHN-XJKSGUPXSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000886081864 691999502 /nfs/dbraw/zinc/99/95/02/691999502.db2.gz ZTIBEFPFJRXJHN-XJKSGUPXSA-N 2 2 316.405 2.439 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001170294588 786891166 /nfs/dbraw/zinc/89/11/66/786891166.db2.gz BNHDJHKWPLTTDT-ZDUSSCGKSA-N 2 2 318.377 2.411 20 5 DEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119435691 795301148 /nfs/dbraw/zinc/30/11/48/795301148.db2.gz QXEUESQFUJTXQR-CYBMUJFWSA-N 2 2 315.377 2.178 20 5 DEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119435691 795301159 /nfs/dbraw/zinc/30/11/59/795301159.db2.gz QXEUESQFUJTXQR-CYBMUJFWSA-N 2 2 315.377 2.178 20 5 DEBDLP CC1CC[NH+](CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254567434 1143256350 /nfs/dbraw/zinc/25/63/50/1143256350.db2.gz OBHSYDVEPUIICC-MRXNPFEDSA-N 2 2 303.406 2.384 20 5 DEBDLP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930530 530065244 /nfs/dbraw/zinc/06/52/44/530065244.db2.gz IXDNUOFWNQREFL-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930530 530065245 /nfs/dbraw/zinc/06/52/45/530065245.db2.gz IXDNUOFWNQREFL-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930530 530065246 /nfs/dbraw/zinc/06/52/46/530065246.db2.gz IXDNUOFWNQREFL-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930530 530065247 /nfs/dbraw/zinc/06/52/47/530065247.db2.gz IXDNUOFWNQREFL-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605228 357566552 /nfs/dbraw/zinc/56/65/52/357566552.db2.gz FIXHHNPFBPLYCT-HIFRSBDPSA-N 2 2 309.410 2.255 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605228 357566553 /nfs/dbraw/zinc/56/65/53/357566553.db2.gz FIXHHNPFBPLYCT-HIFRSBDPSA-N 2 2 309.410 2.255 20 5 DEBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605133 357566582 /nfs/dbraw/zinc/56/65/82/357566582.db2.gz AGMLEFMQOMKVSI-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605133 357566583 /nfs/dbraw/zinc/56/65/83/357566583.db2.gz AGMLEFMQOMKVSI-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605133 357566584 /nfs/dbraw/zinc/56/65/84/357566584.db2.gz AGMLEFMQOMKVSI-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605133 357566585 /nfs/dbraw/zinc/56/65/85/357566585.db2.gz AGMLEFMQOMKVSI-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388901 358437080 /nfs/dbraw/zinc/43/70/80/358437080.db2.gz YOMZZCZHCFBHLP-OCCSQVGLSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388901 358437085 /nfs/dbraw/zinc/43/70/85/358437085.db2.gz YOMZZCZHCFBHLP-OCCSQVGLSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388901 358437092 /nfs/dbraw/zinc/43/70/92/358437092.db2.gz YOMZZCZHCFBHLP-OCCSQVGLSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388901 358437096 /nfs/dbraw/zinc/43/70/96/358437096.db2.gz YOMZZCZHCFBHLP-OCCSQVGLSA-N 2 2 320.393 2.340 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000601146848 359941722 /nfs/dbraw/zinc/94/17/22/359941722.db2.gz DSFZSTOEJVYRGZ-NSHDSACASA-N 2 2 309.329 2.188 20 5 DEBDLP Cc1[nH+]ccn1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602530218 360420429 /nfs/dbraw/zinc/42/04/29/360420429.db2.gz FQKMXMKOTJHCCX-UHFFFAOYSA-N 2 2 301.306 2.031 20 5 DEBDLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000602637681 360471452 /nfs/dbraw/zinc/47/14/52/360471452.db2.gz OUXFSQBCDKYSTQ-GHMZBOCLSA-N 2 2 303.366 2.043 20 5 DEBDLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000602637681 360471457 /nfs/dbraw/zinc/47/14/57/360471457.db2.gz OUXFSQBCDKYSTQ-GHMZBOCLSA-N 2 2 303.366 2.043 20 5 DEBDLP Cc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000124206235 402169012 /nfs/dbraw/zinc/16/90/12/402169012.db2.gz VJZAUIQHWVRTKG-CQSZACIVSA-N 2 2 307.394 2.104 20 5 DEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000177374002 402395403 /nfs/dbraw/zinc/39/54/03/402395403.db2.gz COARJETTZWYEPK-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000177374002 402395407 /nfs/dbraw/zinc/39/54/07/402395407.db2.gz COARJETTZWYEPK-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP COc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000267240028 403028373 /nfs/dbraw/zinc/02/83/73/403028373.db2.gz XPFTYVVTFQFIFE-UHFFFAOYSA-N 2 2 322.409 2.041 20 5 DEBDLP CC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000356865481 404712153 /nfs/dbraw/zinc/71/21/53/404712153.db2.gz HUZLHCQAOCTBJL-UHFFFAOYSA-N 2 2 303.366 2.045 20 5 DEBDLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000367416188 405043162 /nfs/dbraw/zinc/04/31/62/405043162.db2.gz TYEBENLGKMVTIK-UHFFFAOYSA-N 2 2 316.361 2.426 20 5 DEBDLP C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000420367330 405333886 /nfs/dbraw/zinc/33/38/86/405333886.db2.gz JYAVBNVHEKGHNM-BXUZGUMPSA-N 2 2 316.361 2.071 20 5 DEBDLP C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000420367330 405333889 /nfs/dbraw/zinc/33/38/89/405333889.db2.gz JYAVBNVHEKGHNM-BXUZGUMPSA-N 2 2 316.361 2.071 20 5 DEBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000572451654 292619350 /nfs/dbraw/zinc/61/93/50/292619350.db2.gz MWNVLHINPNAKAT-KGLIPLIRSA-N 2 2 321.425 2.349 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000892479693 625854373 /nfs/dbraw/zinc/85/43/73/625854373.db2.gz LBBUZBGYHBMNLF-UHFFFAOYSA-N 2 2 323.393 2.271 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000895587201 638098150 /nfs/dbraw/zinc/09/81/50/638098150.db2.gz KZUCXZMOFGWPGR-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000895587201 638098152 /nfs/dbraw/zinc/09/81/52/638098152.db2.gz KZUCXZMOFGWPGR-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000902430617 643035974 /nfs/dbraw/zinc/03/59/74/643035974.db2.gz PEIPOKZHOYLOND-CSMYWGQOSA-N 2 2 319.405 2.055 20 5 DEBDLP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879285618 690610341 /nfs/dbraw/zinc/61/03/41/690610341.db2.gz BUEUHILMMOKFGH-MRXNPFEDSA-N 2 2 321.421 2.434 20 5 DEBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458821 691516966 /nfs/dbraw/zinc/51/69/66/691516966.db2.gz YCKJUIODUOMZLH-UHFFFAOYSA-N 2 2 305.378 2.192 20 5 DEBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458821 691516969 /nfs/dbraw/zinc/51/69/69/691516969.db2.gz YCKJUIODUOMZLH-UHFFFAOYSA-N 2 2 305.378 2.192 20 5 DEBDLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC001621569631 1078177853 /nfs/dbraw/zinc/17/78/53/1078177853.db2.gz AQMJJGWXBBHEOD-WCFLWFBJSA-N 2 2 316.361 2.166 20 5 DEBDLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC001621569631 1078177855 /nfs/dbraw/zinc/17/78/55/1078177855.db2.gz AQMJJGWXBBHEOD-WCFLWFBJSA-N 2 2 316.361 2.166 20 5 DEBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576273 1140978583 /nfs/dbraw/zinc/97/85/83/1140978583.db2.gz JMPCFKRRSUKNQU-HZPDHXFCSA-N 2 2 307.369 2.215 20 5 DEBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576273 1140978610 /nfs/dbraw/zinc/97/86/10/1140978610.db2.gz JMPCFKRRSUKNQU-HZPDHXFCSA-N 2 2 307.369 2.215 20 5 DEBDLP COCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001246928129 1141128685 /nfs/dbraw/zinc/12/86/85/1141128685.db2.gz JEUUYSYZILYOBL-PBHICJAKSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001246928129 1141128726 /nfs/dbraw/zinc/12/87/26/1141128726.db2.gz JEUUYSYZILYOBL-PBHICJAKSA-N 2 2 321.421 2.226 20 5 DEBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605132 357566562 /nfs/dbraw/zinc/56/65/62/357566562.db2.gz AGMLEFMQOMKVSI-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605132 357566563 /nfs/dbraw/zinc/56/65/63/357566563.db2.gz AGMLEFMQOMKVSI-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605132 357566564 /nfs/dbraw/zinc/56/65/64/357566564.db2.gz AGMLEFMQOMKVSI-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605132 357566565 /nfs/dbraw/zinc/56/65/65/357566565.db2.gz AGMLEFMQOMKVSI-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275606 357697676 /nfs/dbraw/zinc/69/76/76/357697676.db2.gz IPKGUQJNSHLWKU-OCCSQVGLSA-N 2 2 320.393 2.044 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499069 221020515 /nfs/dbraw/zinc/02/05/15/221020515.db2.gz KJQVZPKEOQGUQB-IUODEOHRSA-N 2 2 307.394 2.009 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499069 221020518 /nfs/dbraw/zinc/02/05/18/221020518.db2.gz KJQVZPKEOQGUQB-IUODEOHRSA-N 2 2 307.394 2.009 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228031 403255507 /nfs/dbraw/zinc/25/55/07/403255507.db2.gz ULWUKUOQVYKPFE-NTZNESFSSA-N 2 2 304.394 2.453 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228031 403255510 /nfs/dbraw/zinc/25/55/10/403255510.db2.gz ULWUKUOQVYKPFE-NTZNESFSSA-N 2 2 304.394 2.453 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000305139232 403848954 /nfs/dbraw/zinc/84/89/54/403848954.db2.gz PNMACKXMKRMRRG-CQSZACIVSA-N 2 2 321.421 2.401 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000532479773 406079430 /nfs/dbraw/zinc/07/94/30/406079430.db2.gz MMQJOQBIHJAMGY-HIFRSBDPSA-N 2 2 307.394 2.011 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430566466 302040629 /nfs/dbraw/zinc/04/06/29/302040629.db2.gz CMVUPNOMSHMTHQ-ZDUSSCGKSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430566466 302040631 /nfs/dbraw/zinc/04/06/31/302040631.db2.gz CMVUPNOMSHMTHQ-ZDUSSCGKSA-N 2 2 322.409 2.147 20 5 DEBDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812988 326248325 /nfs/dbraw/zinc/24/83/25/326248325.db2.gz SXNXDDHNZAGHIO-MRXNPFEDSA-N 2 2 309.410 2.118 20 5 DEBDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812988 326248326 /nfs/dbraw/zinc/24/83/26/326248326.db2.gz SXNXDDHNZAGHIO-MRXNPFEDSA-N 2 2 309.410 2.118 20 5 DEBDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812988 326248328 /nfs/dbraw/zinc/24/83/28/326248328.db2.gz SXNXDDHNZAGHIO-MRXNPFEDSA-N 2 2 309.410 2.118 20 5 DEBDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812988 326248329 /nfs/dbraw/zinc/24/83/29/326248329.db2.gz SXNXDDHNZAGHIO-MRXNPFEDSA-N 2 2 309.410 2.118 20 5 DEBDLP CC[NH+]1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000157483234 521562838 /nfs/dbraw/zinc/56/28/38/521562838.db2.gz RIMQLJLMJDYRKH-UHFFFAOYSA-N 2 2 307.394 2.390 20 5 DEBDLP CC[NH+]1CCC([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000157483234 521562847 /nfs/dbraw/zinc/56/28/47/521562847.db2.gz RIMQLJLMJDYRKH-UHFFFAOYSA-N 2 2 307.394 2.390 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359277063 535022302 /nfs/dbraw/zinc/02/23/02/535022302.db2.gz MVZCADLICZTBOD-ZIAGYGMSSA-N 2 2 305.378 2.033 20 5 DEBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000765774474 640817449 /nfs/dbraw/zinc/81/74/49/640817449.db2.gz JWLFHUJJJFIKGK-CYBMUJFWSA-N 2 2 306.410 2.103 20 5 DEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902428010 643035377 /nfs/dbraw/zinc/03/53/77/643035377.db2.gz AGBGVRFEYYJZTI-MGPQQGTHSA-N 2 2 307.394 2.055 20 5 DEBDLP C[C@@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]C1 ZINC000904312753 643633313 /nfs/dbraw/zinc/63/33/13/643633313.db2.gz SFQICIYRTZZCLD-QGZVFWFLSA-N 2 2 318.421 2.107 20 5 DEBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105027 652340978 /nfs/dbraw/zinc/34/09/78/652340978.db2.gz HXJDPRQEKGSZKT-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105027 652340982 /nfs/dbraw/zinc/34/09/82/652340982.db2.gz HXJDPRQEKGSZKT-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105027 652340983 /nfs/dbraw/zinc/34/09/83/652340983.db2.gz HXJDPRQEKGSZKT-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105027 652340987 /nfs/dbraw/zinc/34/09/87/652340987.db2.gz HXJDPRQEKGSZKT-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP CCC[NH+]1CCC([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000893324234 692966223 /nfs/dbraw/zinc/96/62/23/692966223.db2.gz QCYWBDQKAZAISE-UHFFFAOYSA-N 2 2 323.393 2.273 20 5 DEBDLP C[N@@H+]1CCc2c(NCc3cc[nH+]c(N)c3)ccc([N+](=O)[O-])c2C1 ZINC001167619024 777396421 /nfs/dbraw/zinc/39/64/21/777396421.db2.gz QZISOODPERPXHW-UHFFFAOYSA-N 2 2 313.361 2.172 20 5 DEBDLP C[N@H+]1CCc2c(NCc3cc[nH+]c(N)c3)ccc([N+](=O)[O-])c2C1 ZINC001167619024 777396426 /nfs/dbraw/zinc/39/64/26/777396426.db2.gz QZISOODPERPXHW-UHFFFAOYSA-N 2 2 313.361 2.172 20 5 DEBDLP CC(C)[NH+]1CC(Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001168317627 780834098 /nfs/dbraw/zinc/83/40/98/780834098.db2.gz PQXFAKZHCVXTEB-UHFFFAOYSA-N 2 2 304.394 2.087 20 5 DEBDLP CC(C)[NH+]1CC(Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001168317627 780834113 /nfs/dbraw/zinc/83/41/13/780834113.db2.gz PQXFAKZHCVXTEB-UHFFFAOYSA-N 2 2 304.394 2.087 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC001168965686 784988968 /nfs/dbraw/zinc/98/89/68/784988968.db2.gz BYJOIAUOHZWFTN-NVXWUHKLSA-N 2 2 303.406 2.153 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC001172896448 793529983 /nfs/dbraw/zinc/52/99/83/793529983.db2.gz PPZWEWGGUKYTCS-OAHLLOKOSA-N 2 2 300.362 2.329 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000072688487 354913141 /nfs/dbraw/zinc/91/31/41/354913141.db2.gz SWDCMFBCHNMHIC-LSDHHAIUSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000072688487 354913145 /nfs/dbraw/zinc/91/31/45/354913145.db2.gz SWDCMFBCHNMHIC-LSDHHAIUSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594503215 358285425 /nfs/dbraw/zinc/28/54/25/358285425.db2.gz HCBQVMDHUNYTBE-CXAGYDPISA-N 2 2 319.405 2.499 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116519 359927187 /nfs/dbraw/zinc/92/71/87/359927187.db2.gz MLHDWZDUDUQVAH-LLVKDONJSA-N 2 2 310.423 2.237 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116519 359927192 /nfs/dbraw/zinc/92/71/92/359927192.db2.gz MLHDWZDUDUQVAH-LLVKDONJSA-N 2 2 310.423 2.237 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499068 221020475 /nfs/dbraw/zinc/02/04/75/221020475.db2.gz KJQVZPKEOQGUQB-DOMZBBRYSA-N 2 2 307.394 2.009 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499068 221020478 /nfs/dbraw/zinc/02/04/78/221020478.db2.gz KJQVZPKEOQGUQB-DOMZBBRYSA-N 2 2 307.394 2.009 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352426524 404362304 /nfs/dbraw/zinc/36/23/04/404362304.db2.gz VJWXVWPKDLUEEV-CQSZACIVSA-N 2 2 321.421 2.353 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352426524 404362307 /nfs/dbraw/zinc/36/23/07/404362307.db2.gz VJWXVWPKDLUEEV-CQSZACIVSA-N 2 2 321.421 2.353 20 5 DEBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414944161 404772229 /nfs/dbraw/zinc/77/22/29/404772229.db2.gz NPJSVGUQZKLHJH-JTQLQIEISA-N 2 2 305.334 2.300 20 5 DEBDLP CCC[NH2+]CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313531 405757000 /nfs/dbraw/zinc/75/70/00/405757000.db2.gz UPQLYDCZMSGHCP-OAHLLOKOSA-N 2 2 317.393 2.007 20 5 DEBDLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510826 276762932 /nfs/dbraw/zinc/76/29/32/276762932.db2.gz QRZIEALFYBVYPJ-STQMWFEESA-N 2 2 309.414 2.205 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357070129 535022445 /nfs/dbraw/zinc/02/24/45/535022445.db2.gz FVDBMYPEZAUTDH-ZFWWWQNUSA-N 2 2 319.405 2.423 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357070129 535022452 /nfs/dbraw/zinc/02/24/52/535022452.db2.gz FVDBMYPEZAUTDH-ZFWWWQNUSA-N 2 2 319.405 2.423 20 5 DEBDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854280 535914098 /nfs/dbraw/zinc/91/40/98/535914098.db2.gz XIIHNSQYJFCVOS-ULQDDVLXSA-N 2 2 319.405 2.499 20 5 DEBDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854280 535914103 /nfs/dbraw/zinc/91/41/03/535914103.db2.gz XIIHNSQYJFCVOS-ULQDDVLXSA-N 2 2 319.405 2.499 20 5 DEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC000764617539 640664941 /nfs/dbraw/zinc/66/49/41/640664941.db2.gz DJGJEQYHCFSREF-UHFFFAOYSA-N 2 2 318.421 2.249 20 5 DEBDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628134 647036829 /nfs/dbraw/zinc/03/68/29/647036829.db2.gz RUTTVEOSHCIMEV-MWLCHTKSSA-N 2 2 301.350 2.108 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000819079732 647579542 /nfs/dbraw/zinc/57/95/42/647579542.db2.gz FBRKIRQBNATBHM-HNNXBMFYSA-N 2 2 316.361 2.115 20 5 DEBDLP C[NH+]1C[C@]2(C)C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931305693 694361154 /nfs/dbraw/zinc/36/11/54/694361154.db2.gz HBBIKPAOPUPFED-IAGOWNOFSA-N 2 2 319.405 2.247 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)c1F ZINC001173177581 793619581 /nfs/dbraw/zinc/61/95/81/793619581.db2.gz VNPSTYPBOHXUNE-MNOVXSKESA-N 2 2 313.373 2.213 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C(C)(C)C[NH3+])c1F ZINC001173193675 793623401 /nfs/dbraw/zinc/62/34/01/793623401.db2.gz VLCOKVHOIBSVHS-JTQLQIEISA-N 2 2 313.373 2.343 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C(C)(C)C[NH3+])c1F ZINC001173193675 793623402 /nfs/dbraw/zinc/62/34/02/793623402.db2.gz VLCOKVHOIBSVHS-JTQLQIEISA-N 2 2 313.373 2.343 20 5 DEBDLP O=[N+]([O-])c1c[nH]c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nc21 ZINC001155057187 797671514 /nfs/dbraw/zinc/67/15/14/797671514.db2.gz AKYJPJDLNYBUAJ-UHFFFAOYSA-N 2 2 312.333 2.124 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1O ZINC001560358681 1075138609 /nfs/dbraw/zinc/13/86/09/1075138609.db2.gz SLOMWRQJJHVVME-CHWSQXEVSA-N 2 2 323.393 2.271 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246556176 1140959425 /nfs/dbraw/zinc/95/94/25/1140959425.db2.gz DOTYFBCYSLEBJW-DGCLKSJQSA-N 2 2 313.348 2.442 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246556176 1140959430 /nfs/dbraw/zinc/95/94/30/1140959430.db2.gz DOTYFBCYSLEBJW-DGCLKSJQSA-N 2 2 313.348 2.442 20 5 DEBDLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210151 213370042 /nfs/dbraw/zinc/37/00/42/213370042.db2.gz NDVRHSSMLLSMMT-GDBMZVCRSA-N 2 2 307.394 2.044 20 5 DEBDLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210151 213370043 /nfs/dbraw/zinc/37/00/43/213370043.db2.gz NDVRHSSMLLSMMT-GDBMZVCRSA-N 2 2 307.394 2.044 20 5 DEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591581820 357739536 /nfs/dbraw/zinc/73/95/36/357739536.db2.gz WYDYISMVBXYCAR-WXHSDQCUSA-N 2 2 311.357 2.344 20 5 DEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595100748 358389700 /nfs/dbraw/zinc/38/97/00/358389700.db2.gz IRVDHHCJHMDHIQ-DYVFJYSZSA-N 2 2 319.405 2.499 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391760 358438593 /nfs/dbraw/zinc/43/85/93/358438593.db2.gz ALVJKPUTSNURBO-GFCCVEGCSA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391760 358438596 /nfs/dbraw/zinc/43/85/96/358438596.db2.gz ALVJKPUTSNURBO-GFCCVEGCSA-N 2 2 304.325 2.457 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000321505610 145376860 /nfs/dbraw/zinc/37/68/60/145376860.db2.gz BGSRVDBMRWURSV-NUEKZKHPSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000321505610 145376863 /nfs/dbraw/zinc/37/68/63/145376863.db2.gz BGSRVDBMRWURSV-NUEKZKHPSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1c(C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000565162683 292139691 /nfs/dbraw/zinc/13/96/91/292139691.db2.gz LSRFGNBACJYEJW-UHFFFAOYSA-N 2 2 321.421 2.228 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357044644 147028696 /nfs/dbraw/zinc/02/86/96/147028696.db2.gz GYTLGMAXZWEOMW-GXTWGEPZSA-N 2 2 305.378 2.035 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357044644 147028698 /nfs/dbraw/zinc/02/86/98/147028698.db2.gz GYTLGMAXZWEOMW-GXTWGEPZSA-N 2 2 305.378 2.035 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000267202360 403024670 /nfs/dbraw/zinc/02/46/70/403024670.db2.gz OVGRIGWALZIOSD-UHFFFAOYSA-N 2 2 322.409 2.041 20 5 DEBDLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000268809986 403116488 /nfs/dbraw/zinc/11/64/88/403116488.db2.gz DMIAEQCYVJFVOB-CQSZACIVSA-N 2 2 321.421 2.401 20 5 DEBDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772559 403122201 /nfs/dbraw/zinc/12/22/01/403122201.db2.gz YXPUHVZCIBSQCM-JSGCOSHPSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772559 403122203 /nfs/dbraw/zinc/12/22/03/403122203.db2.gz YXPUHVZCIBSQCM-JSGCOSHPSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772559 403122205 /nfs/dbraw/zinc/12/22/05/403122205.db2.gz YXPUHVZCIBSQCM-JSGCOSHPSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772559 403122206 /nfs/dbraw/zinc/12/22/06/403122206.db2.gz YXPUHVZCIBSQCM-JSGCOSHPSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414931828 404768697 /nfs/dbraw/zinc/76/86/97/404768697.db2.gz RVRPARHOBAHZNC-OAHLLOKOSA-N 2 2 307.394 2.471 20 5 DEBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414955370 404775045 /nfs/dbraw/zinc/77/50/45/404775045.db2.gz UDMPKGLAMDAVSG-MWLCHTKSSA-N 2 2 315.320 2.426 20 5 DEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430598602 405464241 /nfs/dbraw/zinc/46/42/41/405464241.db2.gz DEFRBIXWNBOGLG-LLVKDONJSA-N 2 2 304.350 2.167 20 5 DEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430598602 405464244 /nfs/dbraw/zinc/46/42/44/405464244.db2.gz DEFRBIXWNBOGLG-LLVKDONJSA-N 2 2 304.350 2.167 20 5 DEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430598603 405464780 /nfs/dbraw/zinc/46/47/80/405464780.db2.gz DEFRBIXWNBOGLG-NSHDSACASA-N 2 2 304.350 2.167 20 5 DEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430598603 405464784 /nfs/dbraw/zinc/46/47/84/405464784.db2.gz DEFRBIXWNBOGLG-NSHDSACASA-N 2 2 304.350 2.167 20 5 DEBDLP C[NH+](C)CCOCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413218977 228292731 /nfs/dbraw/zinc/29/27/31/228292731.db2.gz BZDHDVBORPLERU-UHFFFAOYSA-N 2 2 304.350 2.133 20 5 DEBDLP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001357241769 1152275803 /nfs/dbraw/zinc/27/58/03/1152275803.db2.gz IXNSOJSDLMIEFT-CQSZACIVSA-N 2 2 322.409 2.099 20 5 DEBDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588676 642189601 /nfs/dbraw/zinc/18/96/01/642189601.db2.gz NMVROUYFAGAFMI-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588676 642189606 /nfs/dbraw/zinc/18/96/06/642189606.db2.gz NMVROUYFAGAFMI-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588676 642189607 /nfs/dbraw/zinc/18/96/07/642189607.db2.gz NMVROUYFAGAFMI-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588676 642189610 /nfs/dbraw/zinc/18/96/10/642189610.db2.gz NMVROUYFAGAFMI-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628133 647036544 /nfs/dbraw/zinc/03/65/44/647036544.db2.gz RUTTVEOSHCIMEV-KOLCDFICSA-N 2 2 301.350 2.108 20 5 DEBDLP C[NH+]1C[C@]2(C)C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931309928 694363378 /nfs/dbraw/zinc/36/33/78/694363378.db2.gz VDDFAIWUVFEGJD-IAGOWNOFSA-N 2 2 319.405 2.247 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081861 691999553 /nfs/dbraw/zinc/99/95/53/691999553.db2.gz ZTIBEFPFJRXJHN-BBRMVZONSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081861 691999555 /nfs/dbraw/zinc/99/95/55/691999555.db2.gz ZTIBEFPFJRXJHN-BBRMVZONSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081861 691999558 /nfs/dbraw/zinc/99/95/58/691999558.db2.gz ZTIBEFPFJRXJHN-BBRMVZONSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000886081861 691999561 /nfs/dbraw/zinc/99/95/61/691999561.db2.gz ZTIBEFPFJRXJHN-BBRMVZONSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC001168965687 784989474 /nfs/dbraw/zinc/98/94/74/784989474.db2.gz BYJOIAUOHZWFTN-RDJZCZTQSA-N 2 2 303.406 2.153 20 5 DEBDLP CCCn1c[nH+]cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001462208542 1058780912 /nfs/dbraw/zinc/78/09/12/1058780912.db2.gz WPTHQZIHCBHPEY-UHFFFAOYSA-N 2 2 303.366 2.167 20 5 DEBDLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576268 1140979023 /nfs/dbraw/zinc/97/90/23/1140979023.db2.gz JMPCFKRRSUKNQU-CVEARBPZSA-N 2 2 307.369 2.215 20 5 DEBDLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576268 1140979041 /nfs/dbraw/zinc/97/90/41/1140979041.db2.gz JMPCFKRRSUKNQU-CVEARBPZSA-N 2 2 307.369 2.215 20 5 DEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607649 1143280381 /nfs/dbraw/zinc/28/03/81/1143280381.db2.gz LPIIEFKFLNLWHP-KBRIMQKVSA-N 2 2 301.390 2.088 20 5 DEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607649 1143280395 /nfs/dbraw/zinc/28/03/95/1143280395.db2.gz LPIIEFKFLNLWHP-KBRIMQKVSA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607649 1143280409 /nfs/dbraw/zinc/28/04/09/1143280409.db2.gz LPIIEFKFLNLWHP-KBRIMQKVSA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607649 1143280417 /nfs/dbraw/zinc/28/04/17/1143280417.db2.gz LPIIEFKFLNLWHP-KBRIMQKVSA-N 2 2 301.390 2.088 20 5 DEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594503216 358285003 /nfs/dbraw/zinc/28/50/03/358285003.db2.gz HCBQVMDHUNYTBE-DYVFJYSZSA-N 2 2 319.405 2.499 20 5 DEBDLP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281464889 216319151 /nfs/dbraw/zinc/31/91/51/216319151.db2.gz VOYPBXYVFNUORW-MRXNPFEDSA-N 2 2 307.394 2.046 20 5 DEBDLP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281464889 216319154 /nfs/dbraw/zinc/31/91/54/216319154.db2.gz VOYPBXYVFNUORW-MRXNPFEDSA-N 2 2 307.394 2.046 20 5 DEBDLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377890440 133350133 /nfs/dbraw/zinc/35/01/33/133350133.db2.gz VGZTXGZADLTHMQ-ZDUSSCGKSA-N 2 2 316.361 2.326 20 5 DEBDLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377890440 133350134 /nfs/dbraw/zinc/35/01/34/133350134.db2.gz VGZTXGZADLTHMQ-ZDUSSCGKSA-N 2 2 316.361 2.326 20 5 DEBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347125440 146198023 /nfs/dbraw/zinc/19/80/23/146198023.db2.gz YGWMJWMKKWRVKG-SNVBAGLBSA-N 2 2 315.320 2.367 20 5 DEBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347125440 146198025 /nfs/dbraw/zinc/19/80/25/146198025.db2.gz YGWMJWMKKWRVKG-SNVBAGLBSA-N 2 2 315.320 2.367 20 5 DEBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332444327 403583059 /nfs/dbraw/zinc/58/30/59/403583059.db2.gz JMRPJJCSSUHGTP-UHFFFAOYSA-N 2 2 302.334 2.403 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000305139231 403849246 /nfs/dbraw/zinc/84/92/46/403849246.db2.gz PNMACKXMKRMRRG-AWEZNQCLSA-N 2 2 321.421 2.401 20 5 DEBDLP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290075553 404030317 /nfs/dbraw/zinc/03/03/17/404030317.db2.gz ULWYQWPQIZUHQP-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290075553 404030322 /nfs/dbraw/zinc/03/03/22/404030322.db2.gz ULWYQWPQIZUHQP-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290075553 404030325 /nfs/dbraw/zinc/03/03/25/404030325.db2.gz ULWYQWPQIZUHQP-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290075553 404030329 /nfs/dbraw/zinc/03/03/29/404030329.db2.gz ULWYQWPQIZUHQP-QGZVFWFLSA-N 2 2 321.421 2.260 20 5 DEBDLP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127974 404814107 /nfs/dbraw/zinc/81/41/07/404814107.db2.gz NQTNYZWZHYXKGN-AAEUAGOBSA-N 2 2 323.393 2.029 20 5 DEBDLP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127974 404814111 /nfs/dbraw/zinc/81/41/11/404814111.db2.gz NQTNYZWZHYXKGN-AAEUAGOBSA-N 2 2 323.393 2.029 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000430620022 405467710 /nfs/dbraw/zinc/46/77/10/405467710.db2.gz BQRCZNYAIDCCAJ-CQSZACIVSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000430620022 405467713 /nfs/dbraw/zinc/46/77/13/405467713.db2.gz BQRCZNYAIDCCAJ-CQSZACIVSA-N 2 2 320.393 2.045 20 5 DEBDLP CC[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000570953565 292517419 /nfs/dbraw/zinc/51/74/19/292517419.db2.gz OHELADSLUXDMSV-OAHLLOKOSA-N 2 2 317.393 2.007 20 5 DEBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344184 277159157 /nfs/dbraw/zinc/15/91/57/277159157.db2.gz PQQAQCNOHAKLOE-IAGOWNOFSA-N 2 2 319.405 2.019 20 5 DEBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344184 277159159 /nfs/dbraw/zinc/15/91/59/277159159.db2.gz PQQAQCNOHAKLOE-IAGOWNOFSA-N 2 2 319.405 2.019 20 5 DEBDLP CC[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000573474144 326061947 /nfs/dbraw/zinc/06/19/47/326061947.db2.gz POPMVCBMJRFUGK-OAHLLOKOSA-N 2 2 317.393 2.007 20 5 DEBDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209928 641876902 /nfs/dbraw/zinc/87/69/02/641876902.db2.gz PQYQDDBPCJDLHR-RBSFLKMASA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209928 641876911 /nfs/dbraw/zinc/87/69/11/641876911.db2.gz PQYQDDBPCJDLHR-RBSFLKMASA-N 2 2 321.425 2.349 20 5 DEBDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883160089 691444401 /nfs/dbraw/zinc/44/44/01/691444401.db2.gz FSCGTROLWONCIF-HNNXBMFYSA-N 2 2 323.437 2.394 20 5 DEBDLP C[N+](C)(C)CCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224772544 781620710 /nfs/dbraw/zinc/62/07/10/781620710.db2.gz AGDQRPJHTCYIFQ-GFCCVEGCSA-N 2 2 318.894 2.484 20 5 DEBDLP C[N+](C)(C)CCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224772544 781620715 /nfs/dbraw/zinc/62/07/15/781620715.db2.gz AGDQRPJHTCYIFQ-GFCCVEGCSA-N 2 2 318.894 2.484 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168976529 784981254 /nfs/dbraw/zinc/98/12/54/784981254.db2.gz DMNWWJDNVWNHHN-DZGCQCFKSA-N 2 2 304.394 2.085 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168976535 784981959 /nfs/dbraw/zinc/98/19/59/784981959.db2.gz DMNWWJDNVWNHHN-UKRRQHHQSA-N 2 2 304.394 2.085 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164210348 799539444 /nfs/dbraw/zinc/53/94/44/799539444.db2.gz BQFFPIOSAYEYCG-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP CC(C)[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278649896 214301072 /nfs/dbraw/zinc/30/10/72/214301072.db2.gz JOALGNIQLUPSSS-UHFFFAOYSA-N 2 2 317.393 2.434 20 5 DEBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595511842 358470221 /nfs/dbraw/zinc/47/02/21/358470221.db2.gz RUAWDHLGFQSZCA-ZDUSSCGKSA-N 2 2 309.410 2.121 20 5 DEBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595511842 358470224 /nfs/dbraw/zinc/47/02/24/358470224.db2.gz RUAWDHLGFQSZCA-ZDUSSCGKSA-N 2 2 309.410 2.121 20 5 DEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000593735694 358133434 /nfs/dbraw/zinc/13/34/34/358133434.db2.gz YRCSDGBTXLYNFT-ZBEGNZNMSA-N 2 2 316.361 2.297 20 5 DEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000593735694 358133436 /nfs/dbraw/zinc/13/34/36/358133436.db2.gz YRCSDGBTXLYNFT-ZBEGNZNMSA-N 2 2 316.361 2.297 20 5 DEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000598912197 359354893 /nfs/dbraw/zinc/35/48/93/359354893.db2.gz ODLQTLNSFXVGTG-MNOVXSKESA-N 2 2 304.350 2.308 20 5 DEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000598912197 359354896 /nfs/dbraw/zinc/35/48/96/359354896.db2.gz ODLQTLNSFXVGTG-MNOVXSKESA-N 2 2 304.350 2.308 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000601154696 359945161 /nfs/dbraw/zinc/94/51/61/359945161.db2.gz SYTIHFRPEOVICR-UHFFFAOYSA-N 2 2 324.344 2.193 20 5 DEBDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602546771 360427471 /nfs/dbraw/zinc/42/74/71/360427471.db2.gz FRDFLHDNLQIOQZ-NSHDSACASA-N 2 2 304.350 2.167 20 5 DEBDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602546771 360427473 /nfs/dbraw/zinc/42/74/73/360427473.db2.gz FRDFLHDNLQIOQZ-NSHDSACASA-N 2 2 304.350 2.167 20 5 DEBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640122 146115586 /nfs/dbraw/zinc/11/55/86/146115586.db2.gz AGVBNENXFIWSDI-ZJUUUORDSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640122 146115589 /nfs/dbraw/zinc/11/55/89/146115589.db2.gz AGVBNENXFIWSDI-ZJUUUORDSA-N 2 2 315.320 2.365 20 5 DEBDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178439431 402498950 /nfs/dbraw/zinc/49/89/50/402498950.db2.gz QQPCAFBSZWOJCB-HNNXBMFYSA-N 2 2 318.421 2.201 20 5 DEBDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178439431 402498951 /nfs/dbraw/zinc/49/89/51/402498951.db2.gz QQPCAFBSZWOJCB-HNNXBMFYSA-N 2 2 318.421 2.201 20 5 DEBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672276 403155945 /nfs/dbraw/zinc/15/59/45/403155945.db2.gz VCKPCFCLERYHEI-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672276 403155948 /nfs/dbraw/zinc/15/59/48/403155948.db2.gz VCKPCFCLERYHEI-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672276 403155951 /nfs/dbraw/zinc/15/59/51/403155951.db2.gz VCKPCFCLERYHEI-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672276 403155953 /nfs/dbraw/zinc/15/59/53/403155953.db2.gz VCKPCFCLERYHEI-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423415295 405797755 /nfs/dbraw/zinc/79/77/55/405797755.db2.gz DJUHXJBYSVQORN-CJNGLKHVSA-N 2 2 307.394 2.322 20 5 DEBDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423415297 405798647 /nfs/dbraw/zinc/79/86/47/405798647.db2.gz DJUHXJBYSVQORN-XJKSGUPXSA-N 2 2 307.394 2.322 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000550658279 406606657 /nfs/dbraw/zinc/60/66/57/406606657.db2.gz HJYFNEKHCXWWEY-INIZCTEOSA-N 2 2 319.405 2.282 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000550658279 406606664 /nfs/dbraw/zinc/60/66/64/406606664.db2.gz HJYFNEKHCXWWEY-INIZCTEOSA-N 2 2 319.405 2.282 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422918818 230277788 /nfs/dbraw/zinc/27/77/88/230277788.db2.gz IIGWVSQZXFUKMW-IPYPFGDCSA-N 2 2 307.394 2.321 20 5 DEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521287 276373690 /nfs/dbraw/zinc/37/36/90/276373690.db2.gz VZFUEWRCYLEXKT-KFWWJZLASA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521287 276373691 /nfs/dbraw/zinc/37/36/91/276373691.db2.gz VZFUEWRCYLEXKT-KFWWJZLASA-N 2 2 321.425 2.349 20 5 DEBDLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784251221 643113784 /nfs/dbraw/zinc/11/37/84/643113784.db2.gz HMXYOLGCXKNBNM-INIZCTEOSA-N 2 2 319.405 2.188 20 5 DEBDLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784251221 643113790 /nfs/dbraw/zinc/11/37/90/643113790.db2.gz HMXYOLGCXKNBNM-INIZCTEOSA-N 2 2 319.405 2.188 20 5 DEBDLP COc1cc(C)[nH+]c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734894 646270848 /nfs/dbraw/zinc/27/08/48/646270848.db2.gz NIOMPYPQIIHKCE-UHFFFAOYSA-N 2 2 316.361 2.272 20 5 DEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866341600 687541895 /nfs/dbraw/zinc/54/18/95/687541895.db2.gz ANOMOARLXSXCRV-BXUZGUMPSA-N 2 2 318.352 2.466 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000877619062 690168885 /nfs/dbraw/zinc/16/88/85/690168885.db2.gz MZDCCGCTMHEKLA-BGHVQYPCSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000877619062 690168887 /nfs/dbraw/zinc/16/88/87/690168887.db2.gz MZDCCGCTMHEKLA-BGHVQYPCSA-N 2 2 319.409 2.101 20 5 DEBDLP C[N@@H+]1C[C@]2(C)C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931305692 694361395 /nfs/dbraw/zinc/36/13/95/694361395.db2.gz HBBIKPAOPUPFED-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[N@H+]1C[C@]2(C)C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931305692 694361401 /nfs/dbraw/zinc/36/14/01/694361401.db2.gz HBBIKPAOPUPFED-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[NH+]1C[C@]2(C)C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931305692 694361406 /nfs/dbraw/zinc/36/14/06/694361406.db2.gz HBBIKPAOPUPFED-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[NH+]1C[C@]2(C)C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931305692 694361408 /nfs/dbraw/zinc/36/14/08/694361408.db2.gz HBBIKPAOPUPFED-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc2ccccc2c2ccccc21 ZINC001169076381 785028733 /nfs/dbraw/zinc/02/87/33/785028733.db2.gz QZZALNKEWUCHGK-CYBMUJFWSA-N 2 2 318.380 2.436 20 5 DEBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001168737232 1086127988 /nfs/dbraw/zinc/12/79/88/1086127988.db2.gz QYUOYBDKTMQWBE-UHFFFAOYSA-N 2 2 319.409 2.486 20 5 DEBDLP C[C@H](C[NH+](C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464901 1143125337 /nfs/dbraw/zinc/12/53/37/1143125337.db2.gz MNSYQQGIGAXUOA-CYBMUJFWSA-N 2 2 306.410 2.103 20 5 DEBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506514 358468180 /nfs/dbraw/zinc/46/81/80/358468180.db2.gz DVDBMTWRZMTOCY-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506514 358468183 /nfs/dbraw/zinc/46/81/83/358468183.db2.gz DVDBMTWRZMTOCY-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506514 358468189 /nfs/dbraw/zinc/46/81/89/358468189.db2.gz DVDBMTWRZMTOCY-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506514 358468192 /nfs/dbraw/zinc/46/81/92/358468192.db2.gz DVDBMTWRZMTOCY-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP [NH3+]C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCC1 ZINC000591275545 357697743 /nfs/dbraw/zinc/69/77/43/357697743.db2.gz SXAVOMRYUCMLKI-UHFFFAOYSA-N 2 2 321.377 2.117 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[NH+]3CCSCC3)c2c1 ZINC000601115925 359927849 /nfs/dbraw/zinc/92/78/49/359927849.db2.gz FCQLIINMVQFAAJ-UHFFFAOYSA-N 2 2 318.402 2.026 20 5 DEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647874 133090694 /nfs/dbraw/zinc/09/06/94/133090694.db2.gz MWFXSTZKOCBBNB-CYBMUJFWSA-N 2 2 307.394 2.044 20 5 DEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647874 133090695 /nfs/dbraw/zinc/09/06/95/133090695.db2.gz MWFXSTZKOCBBNB-CYBMUJFWSA-N 2 2 307.394 2.044 20 5 DEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000177382473 402396531 /nfs/dbraw/zinc/39/65/31/402396531.db2.gz RWRUSSJKJPEECD-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000177382473 402396533 /nfs/dbraw/zinc/39/65/33/402396533.db2.gz RWRUSSJKJPEECD-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000177382473 402396536 /nfs/dbraw/zinc/39/65/36/402396536.db2.gz RWRUSSJKJPEECD-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000177382473 402396537 /nfs/dbraw/zinc/39/65/37/402396537.db2.gz RWRUSSJKJPEECD-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854279 535914402 /nfs/dbraw/zinc/91/44/02/535914402.db2.gz XIIHNSQYJFCVOS-IKGGRYGDSA-N 2 2 319.405 2.499 20 5 DEBDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854279 535914404 /nfs/dbraw/zinc/91/44/04/535914404.db2.gz XIIHNSQYJFCVOS-IKGGRYGDSA-N 2 2 319.405 2.499 20 5 DEBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590587 642189279 /nfs/dbraw/zinc/18/92/79/642189279.db2.gz FAQVKZXSGGHPQR-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590587 642189280 /nfs/dbraw/zinc/18/92/80/642189280.db2.gz FAQVKZXSGGHPQR-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590587 642189283 /nfs/dbraw/zinc/18/92/83/642189283.db2.gz FAQVKZXSGGHPQR-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590587 642189286 /nfs/dbraw/zinc/18/92/86/642189286.db2.gz FAQVKZXSGGHPQR-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000902428008 643035420 /nfs/dbraw/zinc/03/54/20/643035420.db2.gz AGBGVRFEYYJZTI-BFHYXJOUSA-N 2 2 307.394 2.055 20 5 DEBDLP C[C@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]C1 ZINC000904312752 643633476 /nfs/dbraw/zinc/63/34/76/643633476.db2.gz SFQICIYRTZZCLD-KRWDZBQOSA-N 2 2 318.421 2.107 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001168967738 784990437 /nfs/dbraw/zinc/99/04/37/784990437.db2.gz SVQWPKSGBGNYSH-GJZGRUSLSA-N 2 2 300.362 2.407 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCn2cc[nH+]c2)c1F ZINC001173174985 793618131 /nfs/dbraw/zinc/61/81/31/793618131.db2.gz HUHWCLIBOKYUBR-LLVKDONJSA-N 2 2 322.340 2.160 20 5 DEBDLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000152413599 186069946 /nfs/dbraw/zinc/06/99/46/186069946.db2.gz KVRRUOUTZPGYRT-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000152413599 186069947 /nfs/dbraw/zinc/06/99/47/186069947.db2.gz KVRRUOUTZPGYRT-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000152413599 186069949 /nfs/dbraw/zinc/06/99/49/186069949.db2.gz KVRRUOUTZPGYRT-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000152413599 186069950 /nfs/dbraw/zinc/06/99/50/186069950.db2.gz KVRRUOUTZPGYRT-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427830 357875442 /nfs/dbraw/zinc/87/54/42/357875442.db2.gz MCNPBDJLNLZANU-CYBMUJFWSA-N 2 2 323.393 2.171 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427830 357875446 /nfs/dbraw/zinc/87/54/46/357875446.db2.gz MCNPBDJLNLZANU-CYBMUJFWSA-N 2 2 323.393 2.171 20 5 DEBDLP Cc1c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000594500361 358284430 /nfs/dbraw/zinc/28/44/30/358284430.db2.gz POVAJRGXXGEINL-INIZCTEOSA-N 2 2 319.405 2.246 20 5 DEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000594992587 358375454 /nfs/dbraw/zinc/37/54/54/358375454.db2.gz GZCQHVAFOOHYMP-HNNXBMFYSA-N 2 2 323.368 2.077 20 5 DEBDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000598994020 359379183 /nfs/dbraw/zinc/37/91/83/359379183.db2.gz FULLAYVYWZOYQO-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000598994020 359379187 /nfs/dbraw/zinc/37/91/87/359379187.db2.gz FULLAYVYWZOYQO-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247302 245010865 /nfs/dbraw/zinc/01/08/65/245010865.db2.gz DSTOAHFANJKTIY-IRXDYDNUSA-N 2 2 321.421 2.482 20 5 DEBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247302 245010870 /nfs/dbraw/zinc/01/08/70/245010870.db2.gz DSTOAHFANJKTIY-IRXDYDNUSA-N 2 2 321.421 2.482 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505607 145377212 /nfs/dbraw/zinc/37/72/12/145377212.db2.gz BGSRVDBMRWURSV-BPUTZDHNSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505607 145377213 /nfs/dbraw/zinc/37/72/13/145377213.db2.gz BGSRVDBMRWURSV-BPUTZDHNSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000124206011 402168842 /nfs/dbraw/zinc/16/88/42/402168842.db2.gz VJZAUIQHWVRTKG-AWEZNQCLSA-N 2 2 307.394 2.104 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855785 402247676 /nfs/dbraw/zinc/24/76/76/402247676.db2.gz JJSACKZICBEYRM-MRXNPFEDSA-N 2 2 319.405 2.139 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855785 402247678 /nfs/dbraw/zinc/24/76/78/402247678.db2.gz JJSACKZICBEYRM-MRXNPFEDSA-N 2 2 319.405 2.139 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348403501 404065494 /nfs/dbraw/zinc/06/54/94/404065494.db2.gz VVHSKVUQKVNVKQ-KBPBESRZSA-N 2 2 323.441 2.319 20 5 DEBDLP Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424334164 405071732 /nfs/dbraw/zinc/07/17/32/405071732.db2.gz NDRVFPACRIDSSS-YRGRVCCFSA-N 2 2 320.393 2.090 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427112275 405389756 /nfs/dbraw/zinc/38/97/56/405389756.db2.gz BAKIBYNVHYWFLI-IUODEOHRSA-N 2 2 305.378 2.177 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427112275 405389757 /nfs/dbraw/zinc/38/97/57/405389757.db2.gz BAKIBYNVHYWFLI-IUODEOHRSA-N 2 2 305.378 2.177 20 5 DEBDLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510824 276750559 /nfs/dbraw/zinc/75/05/59/276750559.db2.gz QRZIEALFYBVYPJ-QWHCGFSZSA-N 2 2 309.414 2.205 20 5 DEBDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892668163 625254992 /nfs/dbraw/zinc/25/49/92/625254992.db2.gz IRVNYJGOWHRDPT-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892668163 625255001 /nfs/dbraw/zinc/25/50/01/625255001.db2.gz IRVNYJGOWHRDPT-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP C[C@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000904301439 643630744 /nfs/dbraw/zinc/63/07/44/643630744.db2.gz IAAGCIXBUCKACH-KRWDZBQOSA-N 2 2 318.421 2.107 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001169012189 785002836 /nfs/dbraw/zinc/00/28/36/785002836.db2.gz OQTDFWJDJVRPCC-KBPBESRZSA-N 2 2 305.378 2.370 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001169042524 785013757 /nfs/dbraw/zinc/01/37/57/785013757.db2.gz FJGDJAMNDYFBPE-UKRRQHHQSA-N 2 2 304.394 2.085 20 5 DEBDLP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000277239863 213388077 /nfs/dbraw/zinc/38/80/77/213388077.db2.gz PKURFJTXKDAAIP-AWEZNQCLSA-N 2 2 307.394 2.390 20 5 DEBDLP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000277239863 213388079 /nfs/dbraw/zinc/38/80/79/213388079.db2.gz PKURFJTXKDAAIP-AWEZNQCLSA-N 2 2 307.394 2.390 20 5 DEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591578013 357738088 /nfs/dbraw/zinc/73/80/88/357738088.db2.gz MGPFBFQLBHXAEQ-JSGCOSHPSA-N 2 2 320.393 2.044 20 5 DEBDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000593999218 358187049 /nfs/dbraw/zinc/18/70/49/358187049.db2.gz BLZWQAZJGLFWHI-AWEZNQCLSA-N 2 2 321.421 2.481 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000595032694 358381191 /nfs/dbraw/zinc/38/11/91/358381191.db2.gz LBZVWKCWTZFITA-VXGBXAGGSA-N 2 2 316.361 2.466 20 5 DEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096353 358388744 /nfs/dbraw/zinc/38/87/44/358388744.db2.gz JTKSLQGGJIMFBR-ZNMIVQPWSA-N 2 2 321.425 2.349 20 5 DEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096353 358388747 /nfs/dbraw/zinc/38/87/47/358388747.db2.gz JTKSLQGGJIMFBR-ZNMIVQPWSA-N 2 2 321.425 2.349 20 5 DEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)n1 ZINC000331724595 296518674 /nfs/dbraw/zinc/51/86/74/296518674.db2.gz LUASNHSOFZBKDN-LSDHHAIUSA-N 2 2 321.425 2.351 20 5 DEBDLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000315601768 145360490 /nfs/dbraw/zinc/36/04/90/145360490.db2.gz NEAIKEJZDAYFIC-NSHDSACASA-N 2 2 303.366 2.245 20 5 DEBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694069 146126144 /nfs/dbraw/zinc/12/61/44/146126144.db2.gz RRXVOQXPHZDLGU-VHSXEESVSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694069 146126146 /nfs/dbraw/zinc/12/61/46/146126146.db2.gz RRXVOQXPHZDLGU-VHSXEESVSA-N 2 2 315.320 2.365 20 5 DEBDLP CC(C)[NH2+]C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000108368711 402251625 /nfs/dbraw/zinc/25/16/25/402251625.db2.gz AHDLWKNVFAZJMZ-UHFFFAOYSA-N 2 2 307.394 2.436 20 5 DEBDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000184544091 402272943 /nfs/dbraw/zinc/27/29/43/402272943.db2.gz GDEFMRARYYWCEK-UHFFFAOYSA-N 2 2 309.410 2.122 20 5 DEBDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000184544091 402272947 /nfs/dbraw/zinc/27/29/47/402272947.db2.gz GDEFMRARYYWCEK-UHFFFAOYSA-N 2 2 309.410 2.122 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000269636678 403152220 /nfs/dbraw/zinc/15/22/20/403152220.db2.gz HPRAUNIZLJGYDF-YOEHRIQHSA-N 2 2 319.405 2.046 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000269636678 403152221 /nfs/dbraw/zinc/15/22/21/403152221.db2.gz HPRAUNIZLJGYDF-YOEHRIQHSA-N 2 2 319.405 2.046 20 5 DEBDLP COc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414931804 404768629 /nfs/dbraw/zinc/76/86/29/404768629.db2.gz RVRPARHOBAHZNC-HNNXBMFYSA-N 2 2 307.394 2.471 20 5 DEBDLP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415036468 404792677 /nfs/dbraw/zinc/79/26/77/404792677.db2.gz JXWHEWSAKOUJFW-CQSZACIVSA-N 2 2 307.394 2.186 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415122806 404812234 /nfs/dbraw/zinc/81/22/34/404812234.db2.gz ISAGQYVLOJPRTA-GXTWGEPZSA-N 2 2 307.394 2.410 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415122806 404812238 /nfs/dbraw/zinc/81/22/38/404812238.db2.gz ISAGQYVLOJPRTA-GXTWGEPZSA-N 2 2 307.394 2.410 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000430603193 405464941 /nfs/dbraw/zinc/46/49/41/405464941.db2.gz JDLOKOKCODATDG-AWEZNQCLSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000430603193 405464943 /nfs/dbraw/zinc/46/49/43/405464943.db2.gz JDLOKOKCODATDG-AWEZNQCLSA-N 2 2 320.393 2.045 20 5 DEBDLP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000902430618 643035946 /nfs/dbraw/zinc/03/59/46/643035946.db2.gz PEIPOKZHOYLOND-DQYPLSBCSA-N 2 2 319.405 2.055 20 5 DEBDLP C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034957 688917164 /nfs/dbraw/zinc/91/71/64/688917164.db2.gz SKBDJBHPIIXEOT-STQMWFEESA-N 2 2 324.400 2.020 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000877478122 690125175 /nfs/dbraw/zinc/12/51/75/690125175.db2.gz AMIYYDQAOIKAKN-HNFVBEJKSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000877478122 690125182 /nfs/dbraw/zinc/12/51/82/690125182.db2.gz AMIYYDQAOIKAKN-HNFVBEJKSA-N 2 2 319.409 2.101 20 5 DEBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000931438046 694396369 /nfs/dbraw/zinc/39/63/69/694396369.db2.gz YJRZAABPYGZUIF-NEPJUHHUSA-N 2 2 316.361 2.120 20 5 DEBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000931438046 694396371 /nfs/dbraw/zinc/39/63/71/694396371.db2.gz YJRZAABPYGZUIF-NEPJUHHUSA-N 2 2 316.361 2.120 20 5 DEBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000931438046 694396375 /nfs/dbraw/zinc/39/63/75/694396375.db2.gz YJRZAABPYGZUIF-NEPJUHHUSA-N 2 2 316.361 2.120 20 5 DEBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000931438046 694396379 /nfs/dbraw/zinc/39/63/79/694396379.db2.gz YJRZAABPYGZUIF-NEPJUHHUSA-N 2 2 316.361 2.120 20 5 DEBDLP Cc1cc(Cl)c(NC(=[NH2+])N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001168746394 1086224305 /nfs/dbraw/zinc/22/43/05/1086224305.db2.gz NNAZAKXWIDJPJU-UHFFFAOYSA-N 2 2 311.773 2.151 20 5 DEBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586700 1143267643 /nfs/dbraw/zinc/26/76/43/1143267643.db2.gz RMBOHLYIOMJYHZ-JKSUJKDBSA-N 2 2 303.406 2.382 20 5 DEBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586700 1143267649 /nfs/dbraw/zinc/26/76/49/1143267649.db2.gz RMBOHLYIOMJYHZ-JKSUJKDBSA-N 2 2 303.406 2.382 20 5 DEBDLP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000581379988 357178147 /nfs/dbraw/zinc/17/81/47/357178147.db2.gz DEUGYACGANAHCX-XJKSGUPXSA-N 2 2 319.405 2.140 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902617 207071381 /nfs/dbraw/zinc/07/13/81/207071381.db2.gz LJOLXKYCXLDZQM-IAGOWNOFSA-N 2 2 320.437 2.271 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902617 207071385 /nfs/dbraw/zinc/07/13/85/207071385.db2.gz LJOLXKYCXLDZQM-IAGOWNOFSA-N 2 2 320.437 2.271 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300052 148084961 /nfs/dbraw/zinc/08/49/61/148084961.db2.gz MLIKYGZQOSKHPV-HYVNUMGLSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300052 148084965 /nfs/dbraw/zinc/08/49/65/148084965.db2.gz MLIKYGZQOSKHPV-HYVNUMGLSA-N 2 2 319.405 2.278 20 5 DEBDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658277 402190238 /nfs/dbraw/zinc/19/02/38/402190238.db2.gz NXZFPAQFWYKJPC-HNNXBMFYSA-N 2 2 318.421 2.201 20 5 DEBDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658277 402190239 /nfs/dbraw/zinc/19/02/39/402190239.db2.gz NXZFPAQFWYKJPC-HNNXBMFYSA-N 2 2 318.421 2.201 20 5 DEBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305146195 403851074 /nfs/dbraw/zinc/85/10/74/403851074.db2.gz RWKHYUKXHRODTP-WMLDXEAASA-N 2 2 321.421 2.338 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337820827 404260723 /nfs/dbraw/zinc/26/07/23/404260723.db2.gz UGRDERNPNZQKPA-KBPBESRZSA-N 2 2 305.378 2.320 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337820827 404260732 /nfs/dbraw/zinc/26/07/32/404260732.db2.gz UGRDERNPNZQKPA-KBPBESRZSA-N 2 2 305.378 2.320 20 5 DEBDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000352810494 404640756 /nfs/dbraw/zinc/64/07/56/404640756.db2.gz CTLSRULONHJZIZ-UHFFFAOYSA-N 2 2 306.391 2.403 20 5 DEBDLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000419751113 405264431 /nfs/dbraw/zinc/26/44/31/405264431.db2.gz UCCLCEUNKRTZIA-UHFFFAOYSA-N 2 2 317.393 2.419 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385082 405535757 /nfs/dbraw/zinc/53/57/57/405535757.db2.gz DOOHVLKOMUQASX-NKPXIPJASA-N 2 2 319.405 2.044 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385082 405535758 /nfs/dbraw/zinc/53/57/58/405535758.db2.gz DOOHVLKOMUQASX-NKPXIPJASA-N 2 2 319.405 2.044 20 5 DEBDLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000572451653 406669364 /nfs/dbraw/zinc/66/93/64/406669364.db2.gz MWNVLHINPNAKAT-KBPBESRZSA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063363 406860354 /nfs/dbraw/zinc/86/03/54/406860354.db2.gz BPOCZCDJZVQDMH-RBSFLKMASA-N 2 2 321.425 2.206 20 5 DEBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063363 406860355 /nfs/dbraw/zinc/86/03/55/406860355.db2.gz BPOCZCDJZVQDMH-RBSFLKMASA-N 2 2 321.425 2.206 20 5 DEBDLP C[NH2+][C@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001348514996 1151165693 /nfs/dbraw/zinc/16/56/93/1151165693.db2.gz HSZFMUHEWCUVSI-SECBINFHSA-N 2 2 303.309 2.284 20 5 DEBDLP COc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1[N+](=O)[O-] ZINC000422947143 533698124 /nfs/dbraw/zinc/69/81/24/533698124.db2.gz PUSKZHKOGDAACM-SNVBAGLBSA-N 2 2 302.334 2.262 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]Cc2nc(C(C)(C)[NH3+])no2)cc1[N+](=O)[O-] ZINC000567895818 325877591 /nfs/dbraw/zinc/87/75/91/325877591.db2.gz ZDYVLSVAAACVKV-JTQLQIEISA-N 2 2 319.365 2.331 20 5 DEBDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209924 641876567 /nfs/dbraw/zinc/87/65/67/641876567.db2.gz PQYQDDBPCJDLHR-ILXRZTDVSA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209924 641876572 /nfs/dbraw/zinc/87/65/72/641876572.db2.gz PQYQDDBPCJDLHR-ILXRZTDVSA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034954 688916837 /nfs/dbraw/zinc/91/68/37/688916837.db2.gz SKBDJBHPIIXEOT-CHWSQXEVSA-N 2 2 324.400 2.020 20 5 DEBDLP C[NH+]1C[C@]2(C)C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931307564 694362210 /nfs/dbraw/zinc/36/22/10/694362210.db2.gz PTYKPLTUJNVGAM-IAGOWNOFSA-N 2 2 319.405 2.247 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001335361093 1150399647 /nfs/dbraw/zinc/39/96/47/1150399647.db2.gz MIZCFCAULFCCEJ-BRWVUGGUSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001335361093 1150399651 /nfs/dbraw/zinc/39/96/51/1150399651.db2.gz MIZCFCAULFCCEJ-BRWVUGGUSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001335398319 1150407107 /nfs/dbraw/zinc/40/71/07/1150407107.db2.gz SQOSOFLUCFPCEZ-YESZJQIVSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001335398319 1150407117 /nfs/dbraw/zinc/40/71/17/1150407117.db2.gz SQOSOFLUCFPCEZ-YESZJQIVSA-N 2 2 319.405 2.235 20 5 DEBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001347812999 1151099559 /nfs/dbraw/zinc/09/95/59/1151099559.db2.gz JSHAQTOFSUPURY-UHFFFAOYSA-N 2 2 317.349 2.350 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169052001 785022907 /nfs/dbraw/zinc/02/29/07/785022907.db2.gz FKLMGCRGPMQBSH-RBSFLKMASA-N 2 2 305.378 2.289 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169052001 785022910 /nfs/dbraw/zinc/02/29/10/785022910.db2.gz FKLMGCRGPMQBSH-RBSFLKMASA-N 2 2 305.378 2.289 20 5 DEBDLP O=[N+]([O-])c1ccc2ncc(-n3c[nH+]cc3C3CC[NH2+]CC3)nc2c1 ZINC001155054371 797670650 /nfs/dbraw/zinc/67/06/50/797670650.db2.gz XDHQCRDJFKHYBT-UHFFFAOYSA-N 2 2 324.344 2.191 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1O ZINC001560358683 1075138694 /nfs/dbraw/zinc/13/86/94/1075138694.db2.gz SLOMWRQJJHVVME-QWHCGFSZSA-N 2 2 323.393 2.271 20 5 DEBDLP [NH3+]Cc1nc2c(s1)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001580352660 1075909343 /nfs/dbraw/zinc/90/93/43/1075909343.db2.gz ZRFXZOLPUDQMTP-UHFFFAOYSA-N 2 2 318.402 2.111 20 5 DEBDLP [NH3+]Cc1nc2c(s1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001580352660 1075909352 /nfs/dbraw/zinc/90/93/52/1075909352.db2.gz ZRFXZOLPUDQMTP-UHFFFAOYSA-N 2 2 318.402 2.111 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001254565334 1143250305 /nfs/dbraw/zinc/25/03/05/1143250305.db2.gz OGFJEXYABCKBTO-FRFSOERESA-N 2 2 303.406 2.409 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001254565334 1143250310 /nfs/dbraw/zinc/25/03/10/1143250310.db2.gz OGFJEXYABCKBTO-FRFSOERESA-N 2 2 303.406 2.409 20 5 DEBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930524 530059775 /nfs/dbraw/zinc/05/97/75/530059775.db2.gz IXDNUOFWNQREFL-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930524 530059776 /nfs/dbraw/zinc/05/97/76/530059776.db2.gz IXDNUOFWNQREFL-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930524 530059777 /nfs/dbraw/zinc/05/97/77/530059777.db2.gz IXDNUOFWNQREFL-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930524 530059778 /nfs/dbraw/zinc/05/97/78/530059778.db2.gz IXDNUOFWNQREFL-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858620 191241783 /nfs/dbraw/zinc/24/17/83/191241783.db2.gz IPOCPENLJSFCMS-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858620 191241786 /nfs/dbraw/zinc/24/17/86/191241786.db2.gz IPOCPENLJSFCMS-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858620 191241789 /nfs/dbraw/zinc/24/17/89/191241789.db2.gz IPOCPENLJSFCMS-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858620 191241791 /nfs/dbraw/zinc/24/17/91/191241791.db2.gz IPOCPENLJSFCMS-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP C[NH+](C)[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000602565110 360435414 /nfs/dbraw/zinc/43/54/14/360435414.db2.gz QAORZEDWFIHQGJ-HNNXBMFYSA-N 2 2 309.435 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677575 361444623 /nfs/dbraw/zinc/44/46/23/361444623.db2.gz MSQNYNFQCFJPFM-AWEZNQCLSA-N 2 2 318.421 2.484 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677575 361444627 /nfs/dbraw/zinc/44/46/27/361444627.db2.gz MSQNYNFQCFJPFM-AWEZNQCLSA-N 2 2 318.421 2.484 20 5 DEBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305146193 132606507 /nfs/dbraw/zinc/60/65/07/132606507.db2.gz RWKHYUKXHRODTP-RHSMWYFYSA-N 2 2 321.421 2.338 20 5 DEBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751254 145363866 /nfs/dbraw/zinc/36/38/66/145363866.db2.gz HXECMHDWEZLRFA-APHBMKBZSA-N 2 2 305.378 2.109 20 5 DEBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751254 145363869 /nfs/dbraw/zinc/36/38/69/145363869.db2.gz HXECMHDWEZLRFA-APHBMKBZSA-N 2 2 305.378 2.109 20 5 DEBDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854278 145375467 /nfs/dbraw/zinc/37/54/67/145375467.db2.gz XIIHNSQYJFCVOS-BBWFWOEESA-N 2 2 319.405 2.499 20 5 DEBDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854278 145375469 /nfs/dbraw/zinc/37/54/69/145375469.db2.gz XIIHNSQYJFCVOS-BBWFWOEESA-N 2 2 319.405 2.499 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000175232143 402789705 /nfs/dbraw/zinc/78/97/05/402789705.db2.gz XKEOGYZOENQRKZ-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000175232143 402789708 /nfs/dbraw/zinc/78/97/08/402789708.db2.gz XKEOGYZOENQRKZ-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC(C)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305220878 403883634 /nfs/dbraw/zinc/88/36/34/403883634.db2.gz LKFPPTHKLYTMFF-INIZCTEOSA-N 2 2 309.410 2.120 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000350050183 404303696 /nfs/dbraw/zinc/30/36/96/404303696.db2.gz QSJUUVBXODFUIG-CQSZACIVSA-N 2 2 307.394 2.104 20 5 DEBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247304 535912464 /nfs/dbraw/zinc/91/24/64/535912464.db2.gz DSTOAHFANJKTIY-SJORKVTESA-N 2 2 321.421 2.482 20 5 DEBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247304 535912467 /nfs/dbraw/zinc/91/24/67/535912467.db2.gz DSTOAHFANJKTIY-SJORKVTESA-N 2 2 321.421 2.482 20 5 DEBDLP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590976 642189301 /nfs/dbraw/zinc/18/93/01/642189301.db2.gz LAGAKPYAAORNMP-ZFWWWQNUSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590976 642189304 /nfs/dbraw/zinc/18/93/04/642189304.db2.gz LAGAKPYAAORNMP-ZFWWWQNUSA-N 2 2 316.361 2.231 20 5 DEBDLP CCC1([NH+]2CCC2)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000886719929 692172423 /nfs/dbraw/zinc/17/24/23/692172423.db2.gz MNSRZQNFIFXUAC-UHFFFAOYSA-N 2 2 321.425 2.050 20 5 DEBDLP Cc1ccc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001169054652 785024597 /nfs/dbraw/zinc/02/45/97/785024597.db2.gz NEDCNYYIDOEBCB-HOCLYGCPSA-N 2 2 318.421 2.394 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C[NH2+]CC23CC3)c1F ZINC001246132899 1140865065 /nfs/dbraw/zinc/86/50/65/1140865065.db2.gz NGAWQEQRBDRCJN-YGRLFVJLSA-N 2 2 323.368 2.015 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000278721247 214352672 /nfs/dbraw/zinc/35/26/72/214352672.db2.gz POSOJZLDJKIQDM-RYUDHWBXSA-N 2 2 315.377 2.188 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000278721247 214352675 /nfs/dbraw/zinc/35/26/75/214352675.db2.gz POSOJZLDJKIQDM-RYUDHWBXSA-N 2 2 315.377 2.188 20 5 DEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275605 357697525 /nfs/dbraw/zinc/69/75/25/357697525.db2.gz IPKGUQJNSHLWKU-JSGCOSHPSA-N 2 2 320.393 2.044 20 5 DEBDLP CN(c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372604283 133360390 /nfs/dbraw/zinc/36/03/90/133360390.db2.gz BQIIUICFHFRKIK-HNNXBMFYSA-N 2 2 318.421 2.200 20 5 DEBDLP CN(c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372604283 133360391 /nfs/dbraw/zinc/36/03/91/133360391.db2.gz BQIIUICFHFRKIK-HNNXBMFYSA-N 2 2 318.421 2.200 20 5 DEBDLP CN(c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372604285 133360727 /nfs/dbraw/zinc/36/07/27/133360727.db2.gz BQIIUICFHFRKIK-OAHLLOKOSA-N 2 2 318.421 2.200 20 5 DEBDLP CN(c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372604285 133360728 /nfs/dbraw/zinc/36/07/28/133360728.db2.gz BQIIUICFHFRKIK-OAHLLOKOSA-N 2 2 318.421 2.200 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300054 148085082 /nfs/dbraw/zinc/08/50/82/148085082.db2.gz MLIKYGZQOSKHPV-PVAVHDDUSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300054 148085086 /nfs/dbraw/zinc/08/50/86/148085086.db2.gz MLIKYGZQOSKHPV-PVAVHDDUSA-N 2 2 319.405 2.278 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663567 403155224 /nfs/dbraw/zinc/15/52/24/403155224.db2.gz REPSGDNTDXPBOE-HIFRSBDPSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663567 403155225 /nfs/dbraw/zinc/15/52/25/403155225.db2.gz REPSGDNTDXPBOE-HIFRSBDPSA-N 2 2 316.361 2.231 20 5 DEBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998483 403237790 /nfs/dbraw/zinc/23/77/90/403237790.db2.gz HSFOOKBSJGZVQR-NILFDRSVSA-N 2 2 304.394 2.454 20 5 DEBDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998483 403237791 /nfs/dbraw/zinc/23/77/91/403237791.db2.gz HSFOOKBSJGZVQR-NILFDRSVSA-N 2 2 304.394 2.454 20 5 DEBDLP C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+](C)C ZINC000291812063 404534820 /nfs/dbraw/zinc/53/48/20/404534820.db2.gz YFWPCQUMSWTFQV-JTQLQIEISA-N 2 2 317.336 2.484 20 5 DEBDLP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414804170 404739165 /nfs/dbraw/zinc/73/91/65/404739165.db2.gz NGMQRWCUFFNWTH-UHFFFAOYSA-N 2 2 311.382 2.219 20 5 DEBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414929212 404769200 /nfs/dbraw/zinc/76/92/00/404769200.db2.gz NPJSVGUQZKLHJH-SNVBAGLBSA-N 2 2 305.334 2.300 20 5 DEBDLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414934205 404769673 /nfs/dbraw/zinc/76/96/73/404769673.db2.gz AHFDWGQWLIHTSZ-GFCCVEGCSA-N 2 2 317.393 2.083 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593912 405464024 /nfs/dbraw/zinc/46/40/24/405464024.db2.gz PWDSDVHBFKCUKN-DOMZBBRYSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593912 405464025 /nfs/dbraw/zinc/46/40/25/405464025.db2.gz PWDSDVHBFKCUKN-DOMZBBRYSA-N 2 2 322.409 2.227 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385081 405535644 /nfs/dbraw/zinc/53/56/44/405535644.db2.gz DOOHVLKOMUQASX-LERPRCHQSA-N 2 2 319.405 2.044 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385081 405535646 /nfs/dbraw/zinc/53/56/46/405535646.db2.gz DOOHVLKOMUQASX-LERPRCHQSA-N 2 2 319.405 2.044 20 5 DEBDLP COC[C@@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423416818 274047160 /nfs/dbraw/zinc/04/71/60/274047160.db2.gz RGYGKTMJPSGLOA-IRXDYDNUSA-N 2 2 319.405 2.330 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348403505 535580967 /nfs/dbraw/zinc/58/09/67/535580967.db2.gz VVHSKVUQKVNVKQ-UONOGXRCSA-N 2 2 323.441 2.319 20 5 DEBDLP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088478 536752151 /nfs/dbraw/zinc/75/21/51/536752151.db2.gz FDCLIOSDEKXFJZ-VXGBXAGGSA-N 2 2 323.393 2.171 20 5 DEBDLP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088478 536752155 /nfs/dbraw/zinc/75/21/55/536752155.db2.gz FDCLIOSDEKXFJZ-VXGBXAGGSA-N 2 2 323.393 2.171 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000893094540 625107097 /nfs/dbraw/zinc/10/70/97/625107097.db2.gz LJDFPMFBSLLKDV-QWHCGFSZSA-N 2 2 323.393 2.271 20 5 DEBDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618373 647036070 /nfs/dbraw/zinc/03/60/70/647036070.db2.gz JZMANPMJTLURNM-JQWIXIFHSA-N 2 2 301.350 2.039 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000873044356 689147556 /nfs/dbraw/zinc/14/75/56/689147556.db2.gz KZODGODTWBEYQU-HUUCEWRRSA-N 2 2 319.405 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000873044356 689147559 /nfs/dbraw/zinc/14/75/59/689147559.db2.gz KZODGODTWBEYQU-HUUCEWRRSA-N 2 2 319.405 2.164 20 5 DEBDLP C[N@@H+]1C[C@]2(C)C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931307563 694362362 /nfs/dbraw/zinc/36/23/62/694362362.db2.gz PTYKPLTUJNVGAM-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[N@H+]1C[C@]2(C)C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931307563 694362363 /nfs/dbraw/zinc/36/23/63/694362363.db2.gz PTYKPLTUJNVGAM-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[NH+]1C[C@]2(C)C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931307563 694362365 /nfs/dbraw/zinc/36/23/65/694362365.db2.gz PTYKPLTUJNVGAM-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP C[NH+]1C[C@]2(C)C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931307563 694362366 /nfs/dbraw/zinc/36/23/66/694362366.db2.gz PTYKPLTUJNVGAM-CALCHBBNSA-N 2 2 319.405 2.247 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC001172896445 793530495 /nfs/dbraw/zinc/53/04/95/793530495.db2.gz PPZWEWGGUKYTCS-HNNXBMFYSA-N 2 2 300.362 2.329 20 5 DEBDLP C[N@@H+]1CCc2c(NCCCn3cc[nH+]c3)ccc([N+](=O)[O-])c2C1 ZINC001161689137 798912667 /nfs/dbraw/zinc/91/26/67/798912667.db2.gz IYCHODWSOTVEHL-UHFFFAOYSA-N 2 2 315.377 2.281 20 5 DEBDLP C[N@H+]1CCc2c(NCCCn3cc[nH+]c3)ccc([N+](=O)[O-])c2C1 ZINC001161689137 798912670 /nfs/dbraw/zinc/91/26/70/798912670.db2.gz IYCHODWSOTVEHL-UHFFFAOYSA-N 2 2 315.377 2.281 20 5 DEBDLP COc1cccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164213099 799540688 /nfs/dbraw/zinc/54/06/88/799540688.db2.gz OCULVLGVROCJMO-UHFFFAOYSA-N 2 2 322.409 2.041 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246606409 1141001774 /nfs/dbraw/zinc/00/17/74/1141001774.db2.gz FGIBHYVRACFIMC-SJORKVTESA-N 2 2 301.390 2.280 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246606409 1141001781 /nfs/dbraw/zinc/00/17/81/1141001781.db2.gz FGIBHYVRACFIMC-SJORKVTESA-N 2 2 301.390 2.280 20 5 DEBDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594503218 358285220 /nfs/dbraw/zinc/28/52/20/358285220.db2.gz HCBQVMDHUNYTBE-SUMWQHHRSA-N 2 2 319.405 2.499 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449337594 240378435 /nfs/dbraw/zinc/37/84/35/240378435.db2.gz QIPFWLKGEQPBMJ-WCQYABFASA-N 2 2 300.362 2.396 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449337594 240378448 /nfs/dbraw/zinc/37/84/48/240378448.db2.gz QIPFWLKGEQPBMJ-WCQYABFASA-N 2 2 300.362 2.396 20 5 DEBDLP Cc1c(C[NH+]2CCC([N@H+](C)CCCO)CC2)cccc1[N+](=O)[O-] ZINC000115546422 401831297 /nfs/dbraw/zinc/83/12/97/401831297.db2.gz AGVIHFICTVXYGD-UHFFFAOYSA-N 2 2 321.421 2.182 20 5 DEBDLP Cc1c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cccc1[N+](=O)[O-] ZINC000115546422 401831299 /nfs/dbraw/zinc/83/12/99/401831299.db2.gz AGVIHFICTVXYGD-UHFFFAOYSA-N 2 2 321.421 2.182 20 5 DEBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124209922 402168819 /nfs/dbraw/zinc/16/88/19/402168819.db2.gz QGSSQZOUMZQCNA-DRDHIDPGSA-N 2 2 319.405 2.308 20 5 DEBDLP C[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000237109688 402395527 /nfs/dbraw/zinc/39/55/27/402395527.db2.gz FMADJOUOMYZPDR-UHFFFAOYSA-N 2 2 315.320 2.380 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267192192 403023660 /nfs/dbraw/zinc/02/36/60/403023660.db2.gz MUVHGEUQMHHOIJ-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268820691 403117696 /nfs/dbraw/zinc/11/76/96/403117696.db2.gz HMTRDFCAPWVVHX-CYBMUJFWSA-N 2 2 307.394 2.092 20 5 DEBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347779843 403863674 /nfs/dbraw/zinc/86/36/74/403863674.db2.gz QGSSQZOUMZQCNA-VOKGJARPSA-N 2 2 319.405 2.308 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786031 404240207 /nfs/dbraw/zinc/24/02/07/404240207.db2.gz BJXJMEMJUQWHOA-STQMWFEESA-N 2 2 321.377 2.025 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786031 404240211 /nfs/dbraw/zinc/24/02/11/404240211.db2.gz BJXJMEMJUQWHOA-STQMWFEESA-N 2 2 321.377 2.025 20 5 DEBDLP [NH3+]CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000342400641 404555905 /nfs/dbraw/zinc/55/59/05/404555905.db2.gz MMAJPJILQPVNRF-UHFFFAOYSA-N 2 2 315.373 2.435 20 5 DEBDLP [NH3+]CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000342400641 404555914 /nfs/dbraw/zinc/55/59/14/404555914.db2.gz MMAJPJILQPVNRF-UHFFFAOYSA-N 2 2 315.373 2.435 20 5 DEBDLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000414371207 404598729 /nfs/dbraw/zinc/59/87/29/404598729.db2.gz WEWVXKAXTINGJO-UHFFFAOYSA-N 2 2 317.393 2.419 20 5 DEBDLP C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C[NH3+] ZINC000420410115 405346865 /nfs/dbraw/zinc/34/68/65/405346865.db2.gz QZZVWDXVGHJFBA-MNOVXSKESA-N 2 2 304.350 2.153 20 5 DEBDLP C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C[NH3+] ZINC000420410115 405346866 /nfs/dbraw/zinc/34/68/66/405346866.db2.gz QZZVWDXVGHJFBA-MNOVXSKESA-N 2 2 304.350 2.153 20 5 DEBDLP CC1(C)C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423498034 405828616 /nfs/dbraw/zinc/82/86/16/405828616.db2.gz ZSUULRWZWPPSNJ-CZUORRHYSA-N 2 2 319.405 2.285 20 5 DEBDLP COC[C@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423419619 405799742 /nfs/dbraw/zinc/79/97/42/405799742.db2.gz ISJUPLYEAZPPKV-CZUORRHYSA-N 2 2 307.394 2.322 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000430229138 269127496 /nfs/dbraw/zinc/12/74/96/269127496.db2.gz VAAHLWNZTDEAEO-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000430229138 269127498 /nfs/dbraw/zinc/12/74/98/269127498.db2.gz VAAHLWNZTDEAEO-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000430229138 269127499 /nfs/dbraw/zinc/12/74/99/269127499.db2.gz VAAHLWNZTDEAEO-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000430229138 269127503 /nfs/dbraw/zinc/12/75/03/269127503.db2.gz VAAHLWNZTDEAEO-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000066795627 625854997 /nfs/dbraw/zinc/85/49/97/625854997.db2.gz QVXJURSWUZTDGE-UHFFFAOYSA-N 2 2 317.393 2.333 20 5 DEBDLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000066795627 625855000 /nfs/dbraw/zinc/85/50/00/625855000.db2.gz QVXJURSWUZTDGE-UHFFFAOYSA-N 2 2 317.393 2.333 20 5 DEBDLP CCO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000922758011 636380847 /nfs/dbraw/zinc/38/08/47/636380847.db2.gz ZVFCMLCKJPMECT-HEWZJLJBSA-N 2 2 307.394 2.164 20 5 DEBDLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590574 642189389 /nfs/dbraw/zinc/18/93/89/642189389.db2.gz FAQVKZXSGGHPQR-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590574 642189391 /nfs/dbraw/zinc/18/93/91/642189391.db2.gz FAQVKZXSGGHPQR-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590574 642189392 /nfs/dbraw/zinc/18/93/92/642189392.db2.gz FAQVKZXSGGHPQR-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590574 642189394 /nfs/dbraw/zinc/18/93/94/642189394.db2.gz FAQVKZXSGGHPQR-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000872148526 688937401 /nfs/dbraw/zinc/93/74/01/688937401.db2.gz JSBGIIMGNAUCCI-NWDGAFQWSA-N 2 2 317.311 2.472 20 5 DEBDLP Cc1c(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000872148526 688937404 /nfs/dbraw/zinc/93/74/04/688937404.db2.gz JSBGIIMGNAUCCI-NWDGAFQWSA-N 2 2 317.311 2.472 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081863 691999356 /nfs/dbraw/zinc/99/93/56/691999356.db2.gz ZTIBEFPFJRXJHN-CZUORRHYSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081863 691999358 /nfs/dbraw/zinc/99/93/58/691999358.db2.gz ZTIBEFPFJRXJHN-CZUORRHYSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081863 691999360 /nfs/dbraw/zinc/99/93/60/691999360.db2.gz ZTIBEFPFJRXJHN-CZUORRHYSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ncccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081863 691999364 /nfs/dbraw/zinc/99/93/64/691999364.db2.gz ZTIBEFPFJRXJHN-CZUORRHYSA-N 2 2 316.405 2.439 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1F)CC2 ZINC001246094579 1140860343 /nfs/dbraw/zinc/86/03/43/1140860343.db2.gz IPONDFWDHUJIBM-VNQPRFMTSA-N 2 2 307.369 2.132 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC23CC3)c1F ZINC001246132898 1140864674 /nfs/dbraw/zinc/86/46/74/1140864674.db2.gz NGAWQEQRBDRCJN-QMTHXVAHSA-N 2 2 323.368 2.015 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246606402 1141001327 /nfs/dbraw/zinc/00/13/27/1141001327.db2.gz FGIBHYVRACFIMC-IAGOWNOFSA-N 2 2 301.390 2.280 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246606402 1141001336 /nfs/dbraw/zinc/00/13/36/1141001336.db2.gz FGIBHYVRACFIMC-IAGOWNOFSA-N 2 2 301.390 2.280 20 5 DEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858619 191243400 /nfs/dbraw/zinc/24/34/00/191243400.db2.gz IPOCPENLJSFCMS-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858619 191243402 /nfs/dbraw/zinc/24/34/02/191243402.db2.gz IPOCPENLJSFCMS-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858619 191243403 /nfs/dbraw/zinc/24/34/03/191243403.db2.gz IPOCPENLJSFCMS-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858619 191243406 /nfs/dbraw/zinc/24/34/06/191243406.db2.gz IPOCPENLJSFCMS-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677576 361444538 /nfs/dbraw/zinc/44/45/38/361444538.db2.gz MSQNYNFQCFJPFM-CQSZACIVSA-N 2 2 318.421 2.484 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610677576 361444543 /nfs/dbraw/zinc/44/45/43/361444543.db2.gz MSQNYNFQCFJPFM-CQSZACIVSA-N 2 2 318.421 2.484 20 5 DEBDLP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000106466197 194219331 /nfs/dbraw/zinc/21/93/31/194219331.db2.gz MHVQLAJTXPHMFH-UHFFFAOYSA-N 2 2 305.378 2.320 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262098631 145261779 /nfs/dbraw/zinc/26/17/79/145261779.db2.gz VKQYBYSKGFLBNN-MRXNPFEDSA-N 2 2 305.378 2.179 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262098631 145261781 /nfs/dbraw/zinc/26/17/81/145261781.db2.gz VKQYBYSKGFLBNN-MRXNPFEDSA-N 2 2 305.378 2.179 20 5 DEBDLP CC(C)[NH2+]C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000108370517 402252481 /nfs/dbraw/zinc/25/24/81/402252481.db2.gz MVFBFPMDONKSRE-UHFFFAOYSA-N 2 2 307.394 2.436 20 5 DEBDLP O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000162476911 402421208 /nfs/dbraw/zinc/42/12/08/402421208.db2.gz AVPUBUIEYFQCRH-UHFFFAOYSA-N 2 2 304.394 2.224 20 5 DEBDLP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000162476911 402421210 /nfs/dbraw/zinc/42/12/10/402421210.db2.gz AVPUBUIEYFQCRH-UHFFFAOYSA-N 2 2 304.394 2.224 20 5 DEBDLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1O ZINC000295049319 403743053 /nfs/dbraw/zinc/74/30/53/403743053.db2.gz PHIKQVGGXAPASK-YHWZYXNKSA-N 2 2 321.377 2.024 20 5 DEBDLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1O ZINC000295049319 403743057 /nfs/dbraw/zinc/74/30/57/403743057.db2.gz PHIKQVGGXAPASK-YHWZYXNKSA-N 2 2 321.377 2.024 20 5 DEBDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305146196 403850707 /nfs/dbraw/zinc/85/07/07/403850707.db2.gz RWKHYUKXHRODTP-YOEHRIQHSA-N 2 2 321.421 2.338 20 5 DEBDLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414869273 404753150 /nfs/dbraw/zinc/75/31/50/404753150.db2.gz FWGMIRGXRZQPCZ-GDBMZVCRSA-N 2 2 321.421 2.132 20 5 DEBDLP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127980 404814093 /nfs/dbraw/zinc/81/40/93/404814093.db2.gz NQTNYZWZHYXKGN-WCQYABFASA-N 2 2 323.393 2.029 20 5 DEBDLP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127980 404814096 /nfs/dbraw/zinc/81/40/96/404814096.db2.gz NQTNYZWZHYXKGN-WCQYABFASA-N 2 2 323.393 2.029 20 5 DEBDLP Cc1cc(NCC2([NH3+])CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420224227 405297016 /nfs/dbraw/zinc/29/70/16/405297016.db2.gz ADUQIYSQAWQWRC-UHFFFAOYSA-N 2 2 313.361 2.075 20 5 DEBDLP C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)C[NH3+] ZINC000430580329 405461025 /nfs/dbraw/zinc/46/10/25/405461025.db2.gz DPCTUSUHORYESD-UHFFFAOYSA-N 2 2 319.365 2.062 20 5 DEBDLP C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)C[NH3+] ZINC000430580329 405461027 /nfs/dbraw/zinc/46/10/27/405461027.db2.gz DPCTUSUHORYESD-UHFFFAOYSA-N 2 2 319.365 2.062 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)(C)[NH3+])no2)cc1[N+](=O)[O-] ZINC000567895819 406157182 /nfs/dbraw/zinc/15/71/82/406157182.db2.gz ZDYVLSVAAACVKV-SNVBAGLBSA-N 2 2 319.365 2.331 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000556083947 406861283 /nfs/dbraw/zinc/86/12/83/406861283.db2.gz RDZJERRGINJGKP-MRXNPFEDSA-N 2 2 319.405 2.282 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000556083947 406861288 /nfs/dbraw/zinc/86/12/88/406861288.db2.gz RDZJERRGINJGKP-MRXNPFEDSA-N 2 2 319.405 2.282 20 5 DEBDLP COc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1[N+](=O)[O-] ZINC000422947142 533687020 /nfs/dbraw/zinc/68/70/20/533687020.db2.gz PUSKZHKOGDAACM-JTQLQIEISA-N 2 2 302.334 2.262 20 5 DEBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917073 278295310 /nfs/dbraw/zinc/29/53/10/278295310.db2.gz FKQYZGOMDFSFQF-HOCLYGCPSA-N 2 2 321.421 2.274 20 5 DEBDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247300 535804675 /nfs/dbraw/zinc/80/46/75/535804675.db2.gz DSTOAHFANJKTIY-DLBZAZTESA-N 2 2 321.421 2.482 20 5 DEBDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247300 535804676 /nfs/dbraw/zinc/80/46/76/535804676.db2.gz DSTOAHFANJKTIY-DLBZAZTESA-N 2 2 321.421 2.482 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587498 642189234 /nfs/dbraw/zinc/18/92/34/642189234.db2.gz IUJWNLNOCHTFIE-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587498 642189239 /nfs/dbraw/zinc/18/92/39/642189239.db2.gz IUJWNLNOCHTFIE-WMLDXEAASA-N 2 2 321.421 2.292 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000819079736 647579557 /nfs/dbraw/zinc/57/95/57/647579557.db2.gz FBRKIRQBNATBHM-OAHLLOKOSA-N 2 2 316.361 2.115 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289397 282225913 /nfs/dbraw/zinc/22/59/13/282225913.db2.gz KSEPZJHQLHOCMP-PVAVHDDUSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289397 282225914 /nfs/dbraw/zinc/22/59/14/282225914.db2.gz KSEPZJHQLHOCMP-PVAVHDDUSA-N 2 2 319.405 2.278 20 5 DEBDLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC000594917688 358357998 /nfs/dbraw/zinc/35/79/98/358357998.db2.gz LQEYUYXCTXTUTF-UHFFFAOYSA-N 2 2 302.334 2.036 20 5 DEBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536883 133277159 /nfs/dbraw/zinc/27/71/59/133277159.db2.gz FLROCLRCMSMQHU-APHBMKBZSA-N 2 2 305.378 2.109 20 5 DEBDLP COCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000564349211 292093103 /nfs/dbraw/zinc/09/31/03/292093103.db2.gz KVQWJYRGAHDFLC-INIZCTEOSA-N 2 2 319.405 2.283 20 5 DEBDLP C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000153301355 402138292 /nfs/dbraw/zinc/13/82/92/402138292.db2.gz WNDVMBMUMBJKBU-KGLIPLIRSA-N 2 2 307.394 2.214 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228026 403255712 /nfs/dbraw/zinc/25/57/12/403255712.db2.gz ULWUKUOQVYKPFE-MDZLAQPJSA-N 2 2 304.394 2.453 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228026 403255714 /nfs/dbraw/zinc/25/57/14/403255714.db2.gz ULWUKUOQVYKPFE-MDZLAQPJSA-N 2 2 304.394 2.453 20 5 DEBDLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750932 404348423 /nfs/dbraw/zinc/34/84/23/404348423.db2.gz OTDLCBYYXFZLMC-GDBMZVCRSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750932 404348431 /nfs/dbraw/zinc/34/84/31/404348431.db2.gz OTDLCBYYXFZLMC-GDBMZVCRSA-N 2 2 321.421 2.226 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CCO2 ZINC000352621968 404497356 /nfs/dbraw/zinc/49/73/56/404497356.db2.gz VUGZEXNHQNEUBD-UHFFFAOYSA-N 2 2 302.334 2.076 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)CCO2 ZINC000352621968 404497363 /nfs/dbraw/zinc/49/73/63/404497363.db2.gz VUGZEXNHQNEUBD-UHFFFAOYSA-N 2 2 302.334 2.076 20 5 DEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561236 405457224 /nfs/dbraw/zinc/45/72/24/405457224.db2.gz ZIUAMYPRIHULJW-QWRGUYRKSA-N 2 2 304.350 2.295 20 5 DEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561236 405457228 /nfs/dbraw/zinc/45/72/28/405457228.db2.gz ZIUAMYPRIHULJW-QWRGUYRKSA-N 2 2 304.350 2.295 20 5 DEBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430583300 405461686 /nfs/dbraw/zinc/46/16/86/405461686.db2.gz XNINPTZSVPFWRK-GFCCVEGCSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430583300 405461687 /nfs/dbraw/zinc/46/16/87/405461687.db2.gz XNINPTZSVPFWRK-GFCCVEGCSA-N 2 2 322.409 2.147 20 5 DEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129357983 196041921 /nfs/dbraw/zinc/04/19/21/196041921.db2.gz LMZPGYPSNWFNTB-LSDHHAIUSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129357983 196041922 /nfs/dbraw/zinc/04/19/22/196041922.db2.gz LMZPGYPSNWFNTB-LSDHHAIUSA-N 2 2 319.405 2.310 20 5 DEBDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348403503 535592647 /nfs/dbraw/zinc/59/26/47/535592647.db2.gz VVHSKVUQKVNVKQ-KGLIPLIRSA-N 2 2 323.441 2.319 20 5 DEBDLP [NH3+]C1(C[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000841052436 650414911 /nfs/dbraw/zinc/41/49/11/650414911.db2.gz WNSSQVCBYZQIBJ-UHFFFAOYSA-N 2 2 314.183 2.328 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590975 642189501 /nfs/dbraw/zinc/18/95/01/642189501.db2.gz LAGAKPYAAORNMP-UKRRQHHQSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590975 642189503 /nfs/dbraw/zinc/18/95/03/642189503.db2.gz LAGAKPYAAORNMP-UKRRQHHQSA-N 2 2 316.361 2.231 20 5 DEBDLP C[NH2+]CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000903572043 643393669 /nfs/dbraw/zinc/39/36/69/643393669.db2.gz DMXHONJKWBSFJD-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000903572043 643393675 /nfs/dbraw/zinc/39/36/75/643393675.db2.gz DMXHONJKWBSFJD-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872149018 688937507 /nfs/dbraw/zinc/93/75/07/688937507.db2.gz SEMJNDQLYMLTML-PWSUYJOCSA-N 2 2 303.284 2.164 20 5 DEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872149018 688937510 /nfs/dbraw/zinc/93/75/10/688937510.db2.gz SEMJNDQLYMLTML-PWSUYJOCSA-N 2 2 303.284 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000873044354 689147542 /nfs/dbraw/zinc/14/75/42/689147542.db2.gz KZODGODTWBEYQU-CABCVRRESA-N 2 2 319.405 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000873044354 689147544 /nfs/dbraw/zinc/14/75/44/689147544.db2.gz KZODGODTWBEYQU-CABCVRRESA-N 2 2 319.405 2.164 20 5 DEBDLP C[NH+]1C[C@@]2(C)C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931307565 694362186 /nfs/dbraw/zinc/36/21/86/694362186.db2.gz PTYKPLTUJNVGAM-IRXDYDNUSA-N 2 2 319.405 2.247 20 5 DEBDLP CC1([NH+]2CCCCC2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000879948720 690759841 /nfs/dbraw/zinc/75/98/41/690759841.db2.gz JQAJAZQGKXZVIQ-UHFFFAOYSA-N 2 2 321.425 2.132 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168976532 784981893 /nfs/dbraw/zinc/98/18/93/784981893.db2.gz DMNWWJDNVWNHHN-HIFRSBDPSA-N 2 2 304.394 2.085 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]CCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001170299113 786894479 /nfs/dbraw/zinc/89/44/79/786894479.db2.gz PYQUMIAVXCXSHD-GFCCVEGCSA-N 2 2 304.350 2.021 20 5 DEBDLP Cc1noc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC001118496052 795194283 /nfs/dbraw/zinc/19/42/83/795194283.db2.gz MCWKVPLEIIDKCF-GFCCVEGCSA-N 2 2 319.365 2.079 20 5 DEBDLP Cc1noc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC001118496052 795194286 /nfs/dbraw/zinc/19/42/86/795194286.db2.gz MCWKVPLEIIDKCF-GFCCVEGCSA-N 2 2 319.365 2.079 20 5 DEBDLP O=[N+]([O-])c1cc(Cl)cc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155058068 797671846 /nfs/dbraw/zinc/67/18/46/797671846.db2.gz SJZVOOSUGWPGRK-UHFFFAOYSA-N 2 2 307.741 2.296 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001335361096 1150399548 /nfs/dbraw/zinc/39/95/48/1150399548.db2.gz MIZCFCAULFCCEJ-YESZJQIVSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001335361096 1150399551 /nfs/dbraw/zinc/39/95/51/1150399551.db2.gz MIZCFCAULFCCEJ-YESZJQIVSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246606406 1141001387 /nfs/dbraw/zinc/00/13/87/1141001387.db2.gz FGIBHYVRACFIMC-IRXDYDNUSA-N 2 2 301.390 2.280 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246606406 1141001395 /nfs/dbraw/zinc/00/13/95/1141001395.db2.gz FGIBHYVRACFIMC-IRXDYDNUSA-N 2 2 301.390 2.280 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846903 1142595114 /nfs/dbraw/zinc/59/51/14/1142595114.db2.gz ZTXSCGKPJXBBHD-BZUAXINKSA-N 2 2 319.405 2.091 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000278721238 214352604 /nfs/dbraw/zinc/35/26/04/214352604.db2.gz POSOJZLDJKIQDM-NEPJUHHUSA-N 2 2 315.377 2.188 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000278721238 214352608 /nfs/dbraw/zinc/35/26/08/214352608.db2.gz POSOJZLDJKIQDM-NEPJUHHUSA-N 2 2 315.377 2.188 20 5 DEBDLP CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427660 357875208 /nfs/dbraw/zinc/87/52/08/357875208.db2.gz NYWSKUIXICJQIV-AAEUAGOBSA-N 2 2 323.393 2.171 20 5 DEBDLP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427660 357875211 /nfs/dbraw/zinc/87/52/11/357875211.db2.gz NYWSKUIXICJQIV-AAEUAGOBSA-N 2 2 323.393 2.171 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000601146847 359941728 /nfs/dbraw/zinc/94/17/28/359941728.db2.gz DSFZSTOEJVYRGZ-LLVKDONJSA-N 2 2 309.329 2.188 20 5 DEBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602495923 360405445 /nfs/dbraw/zinc/40/54/45/360405445.db2.gz ZHPPBWXKKDKEHZ-PHIMTYICSA-N 2 2 315.295 2.265 20 5 DEBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602495923 360405452 /nfs/dbraw/zinc/40/54/52/360405452.db2.gz ZHPPBWXKKDKEHZ-PHIMTYICSA-N 2 2 315.295 2.265 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000602516779 360413886 /nfs/dbraw/zinc/41/38/86/360413886.db2.gz RDJISQLHPNHPTF-NWDGAFQWSA-N 2 2 316.361 2.452 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000602516779 360413891 /nfs/dbraw/zinc/41/38/91/360413891.db2.gz RDJISQLHPNHPTF-NWDGAFQWSA-N 2 2 316.361 2.452 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000602516781 360414066 /nfs/dbraw/zinc/41/40/66/360414066.db2.gz RDJISQLHPNHPTF-VXGBXAGGSA-N 2 2 316.361 2.452 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000602516781 360414070 /nfs/dbraw/zinc/41/40/70/360414070.db2.gz RDJISQLHPNHPTF-VXGBXAGGSA-N 2 2 316.361 2.452 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000611140144 361533569 /nfs/dbraw/zinc/53/35/69/361533569.db2.gz YAGLOIHFGMEZME-LLVKDONJSA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000611140144 361533572 /nfs/dbraw/zinc/53/35/72/361533572.db2.gz YAGLOIHFGMEZME-LLVKDONJSA-N 2 2 304.325 2.457 20 5 DEBDLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000268806450 206971348 /nfs/dbraw/zinc/97/13/48/206971348.db2.gz CPXORQKTDXHDQJ-KBPBESRZSA-N 2 2 307.394 2.011 20 5 DEBDLP [NH3+][C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346092922 146013836 /nfs/dbraw/zinc/01/38/36/146013836.db2.gz YSCPUJMETBBCPA-ZDUSSCGKSA-N 2 2 316.361 2.215 20 5 DEBDLP [NH3+][C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346092922 146013839 /nfs/dbraw/zinc/01/38/39/146013839.db2.gz YSCPUJMETBBCPA-ZDUSSCGKSA-N 2 2 316.361 2.215 20 5 DEBDLP CC(C)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305220880 403883461 /nfs/dbraw/zinc/88/34/61/403883461.db2.gz LKFPPTHKLYTMFF-MRXNPFEDSA-N 2 2 309.410 2.120 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786028 404239268 /nfs/dbraw/zinc/23/92/68/404239268.db2.gz BJXJMEMJUQWHOA-CHWSQXEVSA-N 2 2 321.377 2.025 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786028 404239275 /nfs/dbraw/zinc/23/92/75/404239275.db2.gz BJXJMEMJUQWHOA-CHWSQXEVSA-N 2 2 321.377 2.025 20 5 DEBDLP Cc1cc(N2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420123821 405289390 /nfs/dbraw/zinc/28/93/90/405289390.db2.gz RGQILSRZWGINRK-CYBMUJFWSA-N 2 2 313.361 2.288 20 5 DEBDLP C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000420367332 405334214 /nfs/dbraw/zinc/33/42/14/405334214.db2.gz JYAVBNVHEKGHNM-FZMZJTMJSA-N 2 2 316.361 2.071 20 5 DEBDLP C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000420367332 405334216 /nfs/dbraw/zinc/33/42/16/405334216.db2.gz JYAVBNVHEKGHNM-FZMZJTMJSA-N 2 2 316.361 2.071 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357070124 535021568 /nfs/dbraw/zinc/02/15/68/535021568.db2.gz FVDBMYPEZAUTDH-UKRRQHHQSA-N 2 2 319.405 2.423 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357070124 535021575 /nfs/dbraw/zinc/02/15/75/535021575.db2.gz FVDBMYPEZAUTDH-UKRRQHHQSA-N 2 2 319.405 2.423 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587499 642189591 /nfs/dbraw/zinc/18/95/91/642189591.db2.gz IUJWNLNOCHTFIE-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587499 642189593 /nfs/dbraw/zinc/18/95/93/642189593.db2.gz IUJWNLNOCHTFIE-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP C[C@@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000904301440 643630736 /nfs/dbraw/zinc/63/07/36/643630736.db2.gz IAAGCIXBUCKACH-QGZVFWFLSA-N 2 2 318.421 2.107 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000819080975 647579548 /nfs/dbraw/zinc/57/95/48/647579548.db2.gz NRWIXJPIBGERNZ-OAHLLOKOSA-N 2 2 316.361 2.115 20 5 DEBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104433 652340676 /nfs/dbraw/zinc/34/06/76/652340676.db2.gz BUDZVRNBPPMNOF-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104433 652340680 /nfs/dbraw/zinc/34/06/80/652340680.db2.gz BUDZVRNBPPMNOF-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104433 652340684 /nfs/dbraw/zinc/34/06/84/652340684.db2.gz BUDZVRNBPPMNOF-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104433 652340689 /nfs/dbraw/zinc/34/06/89/652340689.db2.gz BUDZVRNBPPMNOF-DLBZAZTESA-N 2 2 319.405 2.046 20 5 DEBDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877017379 689998613 /nfs/dbraw/zinc/99/86/13/689998613.db2.gz UEYYIVRQXBUEQB-MOKVOYLWSA-N 2 2 309.414 2.061 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC001168965688 784989485 /nfs/dbraw/zinc/98/94/85/784989485.db2.gz BYJOIAUOHZWFTN-WBVHZDCISA-N 2 2 303.406 2.153 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001168967740 784990305 /nfs/dbraw/zinc/99/03/05/784990305.db2.gz SVQWPKSGBGNYSH-HUUCEWRRSA-N 2 2 300.362 2.407 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001168967736 784990463 /nfs/dbraw/zinc/99/04/63/784990463.db2.gz SVQWPKSGBGNYSH-CABCVRRESA-N 2 2 300.362 2.407 20 5 DEBDLP Cc1c(C)c(-n2c[nH+]cc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155057373 797671806 /nfs/dbraw/zinc/67/18/06/797671806.db2.gz FTESQRNFMBFKKZ-UHFFFAOYSA-N 2 2 301.350 2.259 20 5 DEBDLP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001196781512 798111254 /nfs/dbraw/zinc/11/12/54/798111254.db2.gz CNIMSDPYGWBIBL-YPMHNXCESA-N 2 2 323.368 2.126 20 5 DEBDLP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001196781512 798111256 /nfs/dbraw/zinc/11/12/56/798111256.db2.gz CNIMSDPYGWBIBL-YPMHNXCESA-N 2 2 323.368 2.126 20 5 DEBDLP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001196781512 798111258 /nfs/dbraw/zinc/11/12/58/798111258.db2.gz CNIMSDPYGWBIBL-YPMHNXCESA-N 2 2 323.368 2.126 20 5 DEBDLP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001196781512 798111259 /nfs/dbraw/zinc/11/12/59/798111259.db2.gz CNIMSDPYGWBIBL-YPMHNXCESA-N 2 2 323.368 2.126 20 5 DEBDLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335315492 1150395553 /nfs/dbraw/zinc/39/55/53/1150395553.db2.gz XHJJZJRFKBTBQD-HNNXBMFYSA-N 2 2 318.377 2.238 20 5 DEBDLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC001621569629 1078177906 /nfs/dbraw/zinc/17/79/06/1078177906.db2.gz AQMJJGWXBBHEOD-DRZSPHRISA-N 2 2 316.361 2.166 20 5 DEBDLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC001621569629 1078177908 /nfs/dbraw/zinc/17/79/08/1078177908.db2.gz AQMJJGWXBBHEOD-DRZSPHRISA-N 2 2 316.361 2.166 20 5 DEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516471 358288467 /nfs/dbraw/zinc/28/84/67/358288467.db2.gz ZVTSTEQQBRFUBI-HIFRSBDPSA-N 2 2 319.405 2.499 20 5 DEBDLP C[NH+](C)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602503437 360407557 /nfs/dbraw/zinc/40/75/57/360407557.db2.gz JPGHLTDPUFELDU-UHFFFAOYSA-N 2 2 322.228 2.460 20 5 DEBDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247301 245010331 /nfs/dbraw/zinc/01/03/31/245010331.db2.gz DSTOAHFANJKTIY-IAGOWNOFSA-N 2 2 321.421 2.482 20 5 DEBDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453247301 245010341 /nfs/dbraw/zinc/01/03/41/245010341.db2.gz DSTOAHFANJKTIY-IAGOWNOFSA-N 2 2 321.421 2.482 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000268877001 207045627 /nfs/dbraw/zinc/04/56/27/207045627.db2.gz WTARXWNSHUAMDN-ZFWWWQNUSA-N 2 2 307.394 2.011 20 5 DEBDLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377890439 133349871 /nfs/dbraw/zinc/34/98/71/133349871.db2.gz VGZTXGZADLTHMQ-CYBMUJFWSA-N 2 2 316.361 2.326 20 5 DEBDLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377890439 133349872 /nfs/dbraw/zinc/34/98/72/133349872.db2.gz VGZTXGZADLTHMQ-CYBMUJFWSA-N 2 2 316.361 2.326 20 5 DEBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000261695811 145217957 /nfs/dbraw/zinc/21/79/57/145217957.db2.gz KZZCCCWLPBFXDN-CQSZACIVSA-N 2 2 315.320 2.367 20 5 DEBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000261695811 145217958 /nfs/dbraw/zinc/21/79/58/145217958.db2.gz KZZCCCWLPBFXDN-CQSZACIVSA-N 2 2 315.320 2.367 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505608 145377092 /nfs/dbraw/zinc/37/70/92/145377092.db2.gz BGSRVDBMRWURSV-CWRNSKLLSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505608 145377094 /nfs/dbraw/zinc/37/70/94/145377094.db2.gz BGSRVDBMRWURSV-CWRNSKLLSA-N 2 2 319.405 2.417 20 5 DEBDLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000191812692 402694234 /nfs/dbraw/zinc/69/42/34/402694234.db2.gz CUILMDJEIKDUTC-CQSZACIVSA-N 2 2 321.425 2.208 20 5 DEBDLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000191812692 402694237 /nfs/dbraw/zinc/69/42/37/402694237.db2.gz CUILMDJEIKDUTC-CQSZACIVSA-N 2 2 321.425 2.208 20 5 DEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266882500 402996604 /nfs/dbraw/zinc/99/66/04/402996604.db2.gz AMPVLRDIJZXQGF-CYBMUJFWSA-N 2 2 315.377 2.212 20 5 DEBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339042832 403333171 /nfs/dbraw/zinc/33/31/71/403333171.db2.gz BTQWCIOGLQWJEG-UHFFFAOYSA-N 2 2 304.350 2.327 20 5 DEBDLP CCc1cc(NC[C@@H](C)C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420214416 405295658 /nfs/dbraw/zinc/29/56/58/405295658.db2.gz ISARJAJYYQLWEY-NSHDSACASA-N 2 2 315.377 2.043 20 5 DEBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000430600001 405464433 /nfs/dbraw/zinc/46/44/33/405464433.db2.gz RHJAVVZWQYXXMD-UHFFFAOYSA-N 2 2 319.405 2.438 20 5 DEBDLP CC[NH2+][C@H](C)CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423395510 405789173 /nfs/dbraw/zinc/78/91/73/405789173.db2.gz SUVDGUGGXVEBOA-DOMZBBRYSA-N 2 2 317.393 2.005 20 5 DEBDLP COC[C@@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423416819 405797358 /nfs/dbraw/zinc/79/73/58/405797358.db2.gz RGYGKTMJPSGLOA-SJORKVTESA-N 2 2 319.405 2.330 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894456961 637047698 /nfs/dbraw/zinc/04/76/98/637047698.db2.gz RZUKTYTWUFLXDY-LBPRGKRZSA-N 2 2 323.393 2.129 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894456961 637047701 /nfs/dbraw/zinc/04/77/01/637047701.db2.gz RZUKTYTWUFLXDY-LBPRGKRZSA-N 2 2 323.393 2.129 20 5 DEBDLP CC(C)(C[NH3+])C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000903791458 643457245 /nfs/dbraw/zinc/45/72/45/643457245.db2.gz YCMNQPCQSIHZKP-UHFFFAOYSA-N 2 2 307.394 2.497 20 5 DEBDLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000903810583 643470634 /nfs/dbraw/zinc/47/06/34/643470634.db2.gz FIBPLUWIXCBIAI-AWEZNQCLSA-N 2 2 304.394 2.473 20 5 DEBDLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000903810583 643470638 /nfs/dbraw/zinc/47/06/38/643470638.db2.gz FIBPLUWIXCBIAI-AWEZNQCLSA-N 2 2 304.394 2.473 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001335361094 1150399612 /nfs/dbraw/zinc/39/96/12/1150399612.db2.gz MIZCFCAULFCCEJ-GVDBMIGSSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001335361094 1150399617 /nfs/dbraw/zinc/39/96/17/1150399617.db2.gz MIZCFCAULFCCEJ-GVDBMIGSSA-N 2 2 319.405 2.235 20 5 DEBDLP [NH3+]C1CCC2(CC1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC001580173592 1067516922 /nfs/dbraw/zinc/51/69/22/1067516922.db2.gz YMAQDUOLTBIKQW-UHFFFAOYSA-N 2 2 305.378 2.067 20 5 DEBDLP [NH3+]C1CCC2(CC1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC001580173592 1067516926 /nfs/dbraw/zinc/51/69/26/1067516926.db2.gz YMAQDUOLTBIKQW-UHFFFAOYSA-N 2 2 305.378 2.067 20 5 DEBDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001351975859 1151642748 /nfs/dbraw/zinc/64/27/48/1151642748.db2.gz WYXCPOSCSDVGFC-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001351975859 1151642755 /nfs/dbraw/zinc/64/27/55/1151642755.db2.gz WYXCPOSCSDVGFC-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC001336093161 1142357252 /nfs/dbraw/zinc/35/72/52/1142357252.db2.gz FAMAUAHMVMZESZ-INIZCTEOSA-N 2 2 317.389 2.069 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC001336093161 1142357259 /nfs/dbraw/zinc/35/72/59/1142357259.db2.gz FAMAUAHMVMZESZ-INIZCTEOSA-N 2 2 317.389 2.069 20 5 DEBDLP CC[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598051 1143271567 /nfs/dbraw/zinc/27/15/67/1143271567.db2.gz GYFLCLZTUWNFQK-KRWDZBQOSA-N 2 2 303.406 2.478 20 5 DEBDLP CC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598051 1143271578 /nfs/dbraw/zinc/27/15/78/1143271578.db2.gz GYFLCLZTUWNFQK-KRWDZBQOSA-N 2 2 303.406 2.478 20 5 DEBDLP Cc1cc(N(C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080685424 355380570 /nfs/dbraw/zinc/38/05/70/355380570.db2.gz CYDHWNJDTCHZMU-UHFFFAOYSA-N 2 2 315.377 2.358 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395397 358439865 /nfs/dbraw/zinc/43/98/65/358439865.db2.gz VGRJLEQERNCXLZ-CMPLNLGQSA-N 2 2 305.338 2.171 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395397 358439869 /nfs/dbraw/zinc/43/98/69/358439869.db2.gz VGRJLEQERNCXLZ-CMPLNLGQSA-N 2 2 305.338 2.171 20 5 DEBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000602495927 360404887 /nfs/dbraw/zinc/40/48/87/360404887.db2.gz ZHPPBWXKKDKEHZ-QWRGUYRKSA-N 2 2 315.295 2.265 20 5 DEBDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246974593 402551740 /nfs/dbraw/zinc/55/17/40/402551740.db2.gz JQTOILUFGJVGKQ-SWLSCSKDSA-N 2 2 307.394 2.423 20 5 DEBDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246974593 402551743 /nfs/dbraw/zinc/55/17/43/402551743.db2.gz JQTOILUFGJVGKQ-SWLSCSKDSA-N 2 2 307.394 2.423 20 5 DEBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000304451958 403794121 /nfs/dbraw/zinc/79/41/21/403794121.db2.gz OSHKGVLNGCOXCK-RHSMWYFYSA-N 2 2 321.421 2.338 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352487129 404406764 /nfs/dbraw/zinc/40/67/64/404406764.db2.gz AGMAZBTYCLZSFP-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352487129 404406772 /nfs/dbraw/zinc/40/67/72/404406772.db2.gz AGMAZBTYCLZSFP-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423492392 405824815 /nfs/dbraw/zinc/82/48/15/405824815.db2.gz MVXVYMBOLACOFZ-OCCSQVGLSA-N 2 2 323.393 2.023 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459546325 405951117 /nfs/dbraw/zinc/95/11/17/405951117.db2.gz IAWOABBFCQCUDE-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000925762250 634724411 /nfs/dbraw/zinc/72/44/11/634724411.db2.gz HZPCEQLLHPAHKH-MRVPVSSYSA-N 2 2 314.183 2.055 20 5 DEBDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209926 641876779 /nfs/dbraw/zinc/87/67/79/641876779.db2.gz PQYQDDBPCJDLHR-QLFBSQMISA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209926 641876784 /nfs/dbraw/zinc/87/67/84/641876784.db2.gz PQYQDDBPCJDLHR-QLFBSQMISA-N 2 2 321.425 2.349 20 5 DEBDLP COc1cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000903151500 643274802 /nfs/dbraw/zinc/27/48/02/643274802.db2.gz GENPQSUJJJDQKW-DGCLKSJQSA-N 2 2 316.361 2.466 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001335398318 1150406507 /nfs/dbraw/zinc/40/65/07/1150406507.db2.gz SQOSOFLUCFPCEZ-IXDOHACOSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001335398318 1150406514 /nfs/dbraw/zinc/40/65/14/1150406514.db2.gz SQOSOFLUCFPCEZ-IXDOHACOSA-N 2 2 319.405 2.235 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051999 785023489 /nfs/dbraw/zinc/02/34/89/785023489.db2.gz FKLMGCRGPMQBSH-QLFBSQMISA-N 2 2 305.378 2.289 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051999 785023491 /nfs/dbraw/zinc/02/34/91/785023491.db2.gz FKLMGCRGPMQBSH-QLFBSQMISA-N 2 2 305.378 2.289 20 5 DEBDLP Cc1[nH+]c2c(n1-c1nccc3cc([N+](=O)[O-])ccc31)CC[NH2+]CC2 ZINC001165356742 799713614 /nfs/dbraw/zinc/71/36/14/799713614.db2.gz QUYTVMQPWRGYJG-UHFFFAOYSA-N 2 2 323.356 2.325 20 5 DEBDLP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246981870 1141210203 /nfs/dbraw/zinc/21/02/03/1141210203.db2.gz SMOFSPWIQPUIJQ-QWRGUYRKSA-N 2 2 313.373 2.343 20 5 DEBDLP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246981870 1141210211 /nfs/dbraw/zinc/21/02/11/1141210211.db2.gz SMOFSPWIQPUIJQ-QWRGUYRKSA-N 2 2 313.373 2.343 20 5 DEBDLP Cc1[nH+]c2c(n1[C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC[NH2+]CC2 ZINC001254595876 1143271841 /nfs/dbraw/zinc/27/18/41/1143271841.db2.gz ZZRKOHUTPOLUIA-OAHLLOKOSA-N 2 2 312.373 2.128 20 5 DEBDLP CC[N@H+](C)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606150 1143279469 /nfs/dbraw/zinc/27/94/69/1143279469.db2.gz FJJBVPDDSJYLKU-QGZVFWFLSA-N 2 2 303.406 2.478 20 5 DEBDLP CC[N@@H+](C)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606150 1143279483 /nfs/dbraw/zinc/27/94/83/1143279483.db2.gz FJJBVPDDSJYLKU-QGZVFWFLSA-N 2 2 303.406 2.478 20 5 DEBDLP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000152413505 186069818 /nfs/dbraw/zinc/06/98/18/186069818.db2.gz KVRRUOUTZPGYRT-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000152413505 186069821 /nfs/dbraw/zinc/06/98/21/186069821.db2.gz KVRRUOUTZPGYRT-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000152413505 186069822 /nfs/dbraw/zinc/06/98/22/186069822.db2.gz KVRRUOUTZPGYRT-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000152413505 186069824 /nfs/dbraw/zinc/06/98/24/186069824.db2.gz KVRRUOUTZPGYRT-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP CCC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618618908 363549100 /nfs/dbraw/zinc/54/91/00/363549100.db2.gz KWILYLSRENEOPD-UHFFFAOYSA-N 2 2 317.393 2.435 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000591581844 357739244 /nfs/dbraw/zinc/73/92/44/357739244.db2.gz ZPEVLEGPMWHRLU-KKUMJFAQSA-N 2 2 307.369 2.206 20 5 DEBDLP CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000592488299 357884962 /nfs/dbraw/zinc/88/49/62/357884962.db2.gz JVESGDLLHBXASZ-PWSUYJOCSA-N 2 2 304.350 2.295 20 5 DEBDLP CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000592488299 357884964 /nfs/dbraw/zinc/88/49/64/357884964.db2.gz JVESGDLLHBXASZ-PWSUYJOCSA-N 2 2 304.350 2.295 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000611140145 361533404 /nfs/dbraw/zinc/53/34/04/361533404.db2.gz YAGLOIHFGMEZME-NSHDSACASA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000611140145 361533413 /nfs/dbraw/zinc/53/34/13/361533413.db2.gz YAGLOIHFGMEZME-NSHDSACASA-N 2 2 304.325 2.457 20 5 DEBDLP C[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000449161200 240138306 /nfs/dbraw/zinc/13/83/06/240138306.db2.gz DREWDCANKYYGJC-HUUCEWRRSA-N 2 2 321.421 2.084 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449258491 240265706 /nfs/dbraw/zinc/26/57/06/240265706.db2.gz NFRPGLUJGYNYKI-OCCSQVGLSA-N 2 2 300.362 2.327 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449337593 240383687 /nfs/dbraw/zinc/38/36/87/240383687.db2.gz QIPFWLKGEQPBMJ-DGCLKSJQSA-N 2 2 300.362 2.396 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449337593 240383697 /nfs/dbraw/zinc/38/36/97/240383697.db2.gz QIPFWLKGEQPBMJ-DGCLKSJQSA-N 2 2 300.362 2.396 20 5 DEBDLP COc1cccc(NCC[NH+]2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000185522686 402358898 /nfs/dbraw/zinc/35/88/98/402358898.db2.gz OGOXDWLWHUPFDO-UHFFFAOYSA-N 2 2 322.409 2.041 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269394 404028143 /nfs/dbraw/zinc/02/81/43/404028143.db2.gz WIGQZDUUPCXLOR-ZDUSSCGKSA-N 2 2 322.384 2.314 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269394 404028147 /nfs/dbraw/zinc/02/81/47/404028147.db2.gz WIGQZDUUPCXLOR-ZDUSSCGKSA-N 2 2 322.384 2.314 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031741 404049713 /nfs/dbraw/zinc/04/97/13/404049713.db2.gz QEIKYSBSVKHGOZ-CYBMUJFWSA-N 2 2 304.394 2.175 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031741 404049718 /nfs/dbraw/zinc/04/97/18/404049718.db2.gz QEIKYSBSVKHGOZ-CYBMUJFWSA-N 2 2 304.394 2.175 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625829 404269940 /nfs/dbraw/zinc/26/99/40/404269940.db2.gz JTWVCJBORGLECU-WCQYABFASA-N 2 2 323.393 2.184 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625829 404269945 /nfs/dbraw/zinc/26/99/45/404269945.db2.gz JTWVCJBORGLECU-WCQYABFASA-N 2 2 323.393 2.184 20 5 DEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414955368 404775304 /nfs/dbraw/zinc/77/53/04/404775304.db2.gz UDMPKGLAMDAVSG-KOLCDFICSA-N 2 2 315.320 2.426 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600545 405464288 /nfs/dbraw/zinc/46/42/88/405464288.db2.gz SGXVJKWFWNSULD-WFASDCNBSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600545 405464290 /nfs/dbraw/zinc/46/42/90/405464290.db2.gz SGXVJKWFWNSULD-WFASDCNBSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600544 405464549 /nfs/dbraw/zinc/46/45/49/405464549.db2.gz SGXVJKWFWNSULD-SWLSCSKDSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600544 405464551 /nfs/dbraw/zinc/46/45/51/405464551.db2.gz SGXVJKWFWNSULD-SWLSCSKDSA-N 2 2 323.393 2.041 20 5 DEBDLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423419280 405799381 /nfs/dbraw/zinc/79/93/81/405799381.db2.gz ISJUPLYEAZPPKV-BBRMVZONSA-N 2 2 307.394 2.322 20 5 DEBDLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423417883 405800261 /nfs/dbraw/zinc/80/02/61/405800261.db2.gz HKFUBPZZLFLKEY-HZPDHXFCSA-N 2 2 307.394 2.404 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000532208286 406055060 /nfs/dbraw/zinc/05/50/60/406055060.db2.gz FILKSOJHRUBPQD-CQSZACIVSA-N 2 2 321.421 2.401 20 5 DEBDLP CC[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000570953564 406461048 /nfs/dbraw/zinc/46/10/48/406461048.db2.gz OHELADSLUXDMSV-HNNXBMFYSA-N 2 2 317.393 2.007 20 5 DEBDLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000572451655 292619377 /nfs/dbraw/zinc/61/93/77/292619377.db2.gz MWNVLHINPNAKAT-UONOGXRCSA-N 2 2 321.425 2.349 20 5 DEBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105031 652340741 /nfs/dbraw/zinc/34/07/41/652340741.db2.gz HXJDPRQEKGSZKT-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105031 652340746 /nfs/dbraw/zinc/34/07/46/652340746.db2.gz HXJDPRQEKGSZKT-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105031 652340748 /nfs/dbraw/zinc/34/07/48/652340748.db2.gz HXJDPRQEKGSZKT-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105031 652340750 /nfs/dbraw/zinc/34/07/50/652340750.db2.gz HXJDPRQEKGSZKT-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034956 688917292 /nfs/dbraw/zinc/91/72/92/688917292.db2.gz SKBDJBHPIIXEOT-QWHCGFSZSA-N 2 2 324.400 2.020 20 5 DEBDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877631793 690173985 /nfs/dbraw/zinc/17/39/85/690173985.db2.gz NMTFCCNWPGGDBO-WLYUNCDWSA-N 2 2 321.425 2.205 20 5 DEBDLP C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000886316541 692054467 /nfs/dbraw/zinc/05/44/67/692054467.db2.gz FAYUBAANJYEUFM-CYBMUJFWSA-N 2 2 313.361 2.096 20 5 DEBDLP C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000886316541 692054469 /nfs/dbraw/zinc/05/44/69/692054469.db2.gz FAYUBAANJYEUFM-CYBMUJFWSA-N 2 2 313.361 2.096 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)C[NH+](C)C)c1F ZINC001173177583 793619370 /nfs/dbraw/zinc/61/93/70/793619370.db2.gz VNPSTYPBOHXUNE-WDEREUQCSA-N 2 2 313.373 2.213 20 5 DEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607652 1143278522 /nfs/dbraw/zinc/27/85/22/1143278522.db2.gz LPIIEFKFLNLWHP-XYPHTWIQSA-N 2 2 301.390 2.088 20 5 DEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607652 1143278537 /nfs/dbraw/zinc/27/85/37/1143278537.db2.gz LPIIEFKFLNLWHP-XYPHTWIQSA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607652 1143278549 /nfs/dbraw/zinc/27/85/49/1143278549.db2.gz LPIIEFKFLNLWHP-XYPHTWIQSA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607652 1143278554 /nfs/dbraw/zinc/27/85/54/1143278554.db2.gz LPIIEFKFLNLWHP-XYPHTWIQSA-N 2 2 301.390 2.088 20 5 DEBDLP C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[NH+](C)C1 ZINC000444652092 530023291 /nfs/dbraw/zinc/02/32/91/530023291.db2.gz SFWKVPMTIAEDMD-LBPRGKRZSA-N 2 2 317.393 2.245 20 5 DEBDLP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[NH+](C)C1 ZINC000444652092 530023292 /nfs/dbraw/zinc/02/32/92/530023292.db2.gz SFWKVPMTIAEDMD-LBPRGKRZSA-N 2 2 317.393 2.245 20 5 DEBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[N@H+](C)C1 ZINC000444652092 530023293 /nfs/dbraw/zinc/02/32/93/530023293.db2.gz SFWKVPMTIAEDMD-LBPRGKRZSA-N 2 2 317.393 2.245 20 5 DEBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000444652092 530023294 /nfs/dbraw/zinc/02/32/94/530023294.db2.gz SFWKVPMTIAEDMD-LBPRGKRZSA-N 2 2 317.393 2.245 20 5 DEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275604 357697489 /nfs/dbraw/zinc/69/74/89/357697489.db2.gz IPKGUQJNSHLWKU-GXTWGEPZSA-N 2 2 320.393 2.044 20 5 DEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096350 358388707 /nfs/dbraw/zinc/38/87/07/358388707.db2.gz JTKSLQGGJIMFBR-KKUMJFAQSA-N 2 2 321.425 2.349 20 5 DEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096350 358388712 /nfs/dbraw/zinc/38/87/12/358388712.db2.gz JTKSLQGGJIMFBR-KKUMJFAQSA-N 2 2 321.425 2.349 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391761 358438494 /nfs/dbraw/zinc/43/84/94/358438494.db2.gz ALVJKPUTSNURBO-LBPRGKRZSA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391761 358438498 /nfs/dbraw/zinc/43/84/98/358438498.db2.gz ALVJKPUTSNURBO-LBPRGKRZSA-N 2 2 304.325 2.457 20 5 DEBDLP Cc1noc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595404311 358440217 /nfs/dbraw/zinc/44/02/17/358440217.db2.gz UFGPBOQIZAQBIM-UHFFFAOYSA-N 2 2 317.349 2.363 20 5 DEBDLP CC(C)n1cc[nH+]c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000597128126 358830990 /nfs/dbraw/zinc/83/09/90/358830990.db2.gz UNROWYJCDKXQIV-UHFFFAOYSA-N 2 2 303.366 2.338 20 5 DEBDLP Cc1cccc(NCC[NH+]2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000275461556 212349051 /nfs/dbraw/zinc/34/90/51/212349051.db2.gz MSFJCHXSZMQPGP-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118350 240085070 /nfs/dbraw/zinc/08/50/70/240085070.db2.gz RZSVZPQTUIOZEN-GOEBONIOSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118350 240085080 /nfs/dbraw/zinc/08/50/80/240085080.db2.gz RZSVZPQTUIOZEN-GOEBONIOSA-N 2 2 321.421 2.226 20 5 DEBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664329 193286062 /nfs/dbraw/zinc/28/60/62/193286062.db2.gz CXQUGOFSKRFAGJ-INIZCTEOSA-N 2 2 319.405 2.057 20 5 DEBDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664329 193286064 /nfs/dbraw/zinc/28/60/64/193286064.db2.gz CXQUGOFSKRFAGJ-INIZCTEOSA-N 2 2 319.405 2.057 20 5 DEBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)n1 ZINC000351520112 285169670 /nfs/dbraw/zinc/16/96/70/285169670.db2.gz DSHDCIWHXKZNFU-KGLIPLIRSA-N 2 2 318.381 2.151 20 5 DEBDLP CC[NH2+][C@H](C)CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423372919 285622650 /nfs/dbraw/zinc/62/26/50/285622650.db2.gz BOVSJPSYLADXKR-DOMZBBRYSA-N 2 2 317.393 2.005 20 5 DEBDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998484 403237707 /nfs/dbraw/zinc/23/77/07/403237707.db2.gz HSFOOKBSJGZVQR-TUKIKUTGSA-N 2 2 304.394 2.454 20 5 DEBDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998484 403237708 /nfs/dbraw/zinc/23/77/08/403237708.db2.gz HSFOOKBSJGZVQR-TUKIKUTGSA-N 2 2 304.394 2.454 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228015 403255638 /nfs/dbraw/zinc/25/56/38/403255638.db2.gz ULWUKUOQVYKPFE-GMXVVIOVSA-N 2 2 304.394 2.453 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228015 403255641 /nfs/dbraw/zinc/25/56/41/403255641.db2.gz ULWUKUOQVYKPFE-GMXVVIOVSA-N 2 2 304.394 2.453 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337820830 404261491 /nfs/dbraw/zinc/26/14/91/404261491.db2.gz UGRDERNPNZQKPA-ZIAGYGMSSA-N 2 2 305.378 2.320 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337820830 404261493 /nfs/dbraw/zinc/26/14/93/404261493.db2.gz UGRDERNPNZQKPA-ZIAGYGMSSA-N 2 2 305.378 2.320 20 5 DEBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414796665 404738026 /nfs/dbraw/zinc/73/80/26/404738026.db2.gz OKFAOXFKQCYEME-LLVKDONJSA-N 2 2 303.309 2.269 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329698 405321286 /nfs/dbraw/zinc/32/12/86/405321286.db2.gz HDNITJJLQGLUEO-OLZOCXBDSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420329698 405321289 /nfs/dbraw/zinc/32/12/89/405321289.db2.gz HDNITJJLQGLUEO-OLZOCXBDSA-N 2 2 323.393 2.041 20 5 DEBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430598858 405464582 /nfs/dbraw/zinc/46/45/82/405464582.db2.gz UNFSFOFRKGKUGJ-AWEZNQCLSA-N 2 2 316.361 2.215 20 5 DEBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430598858 405464584 /nfs/dbraw/zinc/46/45/84/405464584.db2.gz UNFSFOFRKGKUGJ-AWEZNQCLSA-N 2 2 316.361 2.215 20 5 DEBDLP CC1(C)C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423498033 405828149 /nfs/dbraw/zinc/82/81/49/405828149.db2.gz ZSUULRWZWPPSNJ-CJNGLKHVSA-N 2 2 319.405 2.285 20 5 DEBDLP COCC[NH2+]CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423319120 274036781 /nfs/dbraw/zinc/03/67/81/274036781.db2.gz CGUPSGZEYQSYCG-HNNXBMFYSA-N 2 2 307.394 2.143 20 5 DEBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)n1 ZINC000351520111 275040409 /nfs/dbraw/zinc/04/04/09/275040409.db2.gz DSHDCIWHXKZNFU-KBPBESRZSA-N 2 2 318.381 2.151 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000893094541 625107093 /nfs/dbraw/zinc/10/70/93/625107093.db2.gz LJDFPMFBSLLKDV-STQMWFEESA-N 2 2 323.393 2.271 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609244 625191528 /nfs/dbraw/zinc/19/15/28/625191528.db2.gz YYKYKWJKFDJDBV-OLZOCXBDSA-N 2 2 321.377 2.025 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609244 625191531 /nfs/dbraw/zinc/19/15/31/625191531.db2.gz YYKYKWJKFDJDBV-OLZOCXBDSA-N 2 2 321.377 2.025 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000776592007 642190246 /nfs/dbraw/zinc/19/02/46/642190246.db2.gz ODFHIPLCKBKXMU-MRXNPFEDSA-N 2 2 316.361 2.162 20 5 DEBDLP [NH3+]C1CC[NH+](Cc2cc(-c3ccccc3[N+](=O)[O-])no2)CC1 ZINC000901393802 642647389 /nfs/dbraw/zinc/64/73/89/642647389.db2.gz DEUQBLYAEQRRKK-UHFFFAOYSA-N 2 2 302.334 2.173 20 5 DEBDLP C[NH+]1C[C@@]2(C)C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931305694 694361043 /nfs/dbraw/zinc/36/10/43/694361043.db2.gz HBBIKPAOPUPFED-IRXDYDNUSA-N 2 2 319.405 2.247 20 5 DEBDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594503217 358285360 /nfs/dbraw/zinc/28/53/60/358285360.db2.gz HCBQVMDHUNYTBE-GUYCJALGSA-N 2 2 319.405 2.499 20 5 DEBDLP Cn1cc(C[N@H+](C)CC(C)(C)[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594734743 358328237 /nfs/dbraw/zinc/32/82/37/358328237.db2.gz DKLOGHHAKJAYPT-UHFFFAOYSA-N 2 2 317.393 2.164 20 5 DEBDLP Cn1cc(C[N@@H+](C)CC(C)(C)[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594734743 358328240 /nfs/dbraw/zinc/32/82/40/358328240.db2.gz DKLOGHHAKJAYPT-UHFFFAOYSA-N 2 2 317.393 2.164 20 5 DEBDLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594995068 358375041 /nfs/dbraw/zinc/37/50/41/358375041.db2.gz YYHISPRNYKNYPG-MRXNPFEDSA-N 2 2 319.405 2.246 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388902 358437316 /nfs/dbraw/zinc/43/73/16/358437316.db2.gz YOMZZCZHCFBHLP-TZMCWYRMSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388902 358437319 /nfs/dbraw/zinc/43/73/19/358437319.db2.gz YOMZZCZHCFBHLP-TZMCWYRMSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388902 358437324 /nfs/dbraw/zinc/43/73/24/358437324.db2.gz YOMZZCZHCFBHLP-TZMCWYRMSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388902 358437327 /nfs/dbraw/zinc/43/73/27/358437327.db2.gz YOMZZCZHCFBHLP-TZMCWYRMSA-N 2 2 320.393 2.340 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116520 359927588 /nfs/dbraw/zinc/92/75/88/359927588.db2.gz MLHDWZDUDUQVAH-NSHDSACASA-N 2 2 310.423 2.237 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116520 359927592 /nfs/dbraw/zinc/92/75/92/359927592.db2.gz MLHDWZDUDUQVAH-NSHDSACASA-N 2 2 310.423 2.237 20 5 DEBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602513021 360412876 /nfs/dbraw/zinc/41/28/76/360412876.db2.gz ZPLAGGAMUFKLQL-JTQLQIEISA-N 2 2 301.306 2.111 20 5 DEBDLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000602637684 360471760 /nfs/dbraw/zinc/47/17/60/360471760.db2.gz OUXFSQBCDKYSTQ-WDEREUQCSA-N 2 2 303.366 2.043 20 5 DEBDLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000602637684 360471764 /nfs/dbraw/zinc/47/17/64/360471764.db2.gz OUXFSQBCDKYSTQ-WDEREUQCSA-N 2 2 303.366 2.043 20 5 DEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000609599038 361326053 /nfs/dbraw/zinc/32/60/53/361326053.db2.gz BFVIXNXFHUWQQN-KRWDZBQOSA-N 2 2 319.405 2.328 20 5 DEBDLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154518716 196971313 /nfs/dbraw/zinc/97/13/13/196971313.db2.gz VLBFXHGTJRFSCB-INIZCTEOSA-N 2 2 307.394 2.091 20 5 DEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521285 285262026 /nfs/dbraw/zinc/26/20/26/285262026.db2.gz VZFUEWRCYLEXKT-ILXRZTDVSA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521285 285262027 /nfs/dbraw/zinc/26/20/27/285262027.db2.gz VZFUEWRCYLEXKT-ILXRZTDVSA-N 2 2 321.425 2.349 20 5 DEBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267193711 403023899 /nfs/dbraw/zinc/02/38/99/403023899.db2.gz MYMAKOTVIFQDQV-UHFFFAOYSA-N 2 2 310.373 2.172 20 5 DEBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000277897686 403268722 /nfs/dbraw/zinc/26/87/22/403268722.db2.gz OVFCTUGVGFMZHC-GFCCVEGCSA-N 2 2 313.423 2.247 20 5 DEBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000277897686 403268724 /nfs/dbraw/zinc/26/87/24/403268724.db2.gz OVFCTUGVGFMZHC-GFCCVEGCSA-N 2 2 313.423 2.247 20 5 DEBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893361 403382136 /nfs/dbraw/zinc/38/21/36/403382136.db2.gz GBDWTWDQHQMWAD-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893361 403382139 /nfs/dbraw/zinc/38/21/39/403382139.db2.gz GBDWTWDQHQMWAD-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893361 403382143 /nfs/dbraw/zinc/38/21/43/403382143.db2.gz GBDWTWDQHQMWAD-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893361 403382146 /nfs/dbraw/zinc/38/21/46/403382146.db2.gz GBDWTWDQHQMWAD-QGZVFWFLSA-N 2 2 319.405 2.391 20 5 DEBDLP C[NH2+]C[C@@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420213720 405295871 /nfs/dbraw/zinc/29/58/71/405295871.db2.gz VAGHZDQCGKLPJB-LLVKDONJSA-N 2 2 315.377 2.050 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccccc1[N+](=O)[O-] ZINC000124449113 522804133 /nfs/dbraw/zinc/80/41/33/522804133.db2.gz OVBMVGNURYPDHO-UHFFFAOYSA-N 2 2 304.350 2.192 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccccc1[N+](=O)[O-] ZINC000124449113 522804143 /nfs/dbraw/zinc/80/41/43/522804143.db2.gz OVBMVGNURYPDHO-UHFFFAOYSA-N 2 2 304.350 2.192 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765789565 640818648 /nfs/dbraw/zinc/81/86/48/640818648.db2.gz BAOGPMUHEMQCQR-IMJJTQAJSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765789565 640818651 /nfs/dbraw/zinc/81/86/51/640818651.db2.gz BAOGPMUHEMQCQR-IMJJTQAJSA-N 2 2 319.405 2.417 20 5 DEBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903717674 643438046 /nfs/dbraw/zinc/43/80/46/643438046.db2.gz CXEUYDOJUPZBDM-HNNXBMFYSA-N 2 2 318.421 2.107 20 5 DEBDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618375 647036140 /nfs/dbraw/zinc/03/61/40/647036140.db2.gz JZMANPMJTLURNM-ZYHUDNBSSA-N 2 2 301.350 2.039 20 5 DEBDLP CC(C)n1c[nH+]cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000822481254 648216893 /nfs/dbraw/zinc/21/68/93/648216893.db2.gz NZBHBFDDUPJEQN-UHFFFAOYSA-N 2 2 303.366 2.338 20 5 DEBDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000883160394 691444338 /nfs/dbraw/zinc/44/43/38/691444338.db2.gz OLYQPKBVVTXHBU-HNNXBMFYSA-N 2 2 309.410 2.086 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246556175 1140960312 /nfs/dbraw/zinc/96/03/12/1140960312.db2.gz DOTYFBCYSLEBJW-AAEUAGOBSA-N 2 2 313.348 2.442 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246556175 1140960329 /nfs/dbraw/zinc/96/03/29/1140960329.db2.gz DOTYFBCYSLEBJW-AAEUAGOBSA-N 2 2 313.348 2.442 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001254584263 1143268114 /nfs/dbraw/zinc/26/81/14/1143268114.db2.gz GVZDXFCWBUNPJI-JKSUJKDBSA-N 2 2 301.390 2.136 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001254584263 1143268132 /nfs/dbraw/zinc/26/81/32/1143268132.db2.gz GVZDXFCWBUNPJI-JKSUJKDBSA-N 2 2 301.390 2.136 20 5 DEBDLP Cc1[nH+]c2c(n1[C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC[NH2+]CC2 ZINC001254595866 1143271180 /nfs/dbraw/zinc/27/11/80/1143271180.db2.gz ZZRKOHUTPOLUIA-HNNXBMFYSA-N 2 2 312.373 2.128 20 5 DEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607651 1143279283 /nfs/dbraw/zinc/27/92/83/1143279283.db2.gz LPIIEFKFLNLWHP-XOKHGSTOSA-N 2 2 301.390 2.088 20 5 DEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607651 1143279297 /nfs/dbraw/zinc/27/92/97/1143279297.db2.gz LPIIEFKFLNLWHP-XOKHGSTOSA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607651 1143279304 /nfs/dbraw/zinc/27/93/04/1143279304.db2.gz LPIIEFKFLNLWHP-XOKHGSTOSA-N 2 2 301.390 2.088 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254607651 1143279313 /nfs/dbraw/zinc/27/93/13/1143279313.db2.gz LPIIEFKFLNLWHP-XOKHGSTOSA-N 2 2 301.390 2.088 20 5 DEBDLP [NH3+]CCN(Cc1c[nH+]c2ccccn12)c1ccccc1[N+](=O)[O-] ZINC000589190882 357452966 /nfs/dbraw/zinc/45/29/66/357452966.db2.gz OPGHVIWKEWJJIQ-UHFFFAOYSA-N 2 2 311.345 2.208 20 5 DEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591578012 357737933 /nfs/dbraw/zinc/73/79/33/357737933.db2.gz MGPFBFQLBHXAEQ-GXTWGEPZSA-N 2 2 320.393 2.044 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+](C4CC4)CC3)nc2c1 ZINC000602507105 360408634 /nfs/dbraw/zinc/40/86/34/360408634.db2.gz OHPLKTBSUUIOCN-UHFFFAOYSA-N 2 2 316.361 2.452 20 5 DEBDLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000602637683 360471608 /nfs/dbraw/zinc/47/16/08/360471608.db2.gz OUXFSQBCDKYSTQ-QWRGUYRKSA-N 2 2 303.366 2.043 20 5 DEBDLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000602637683 360471611 /nfs/dbraw/zinc/47/16/11/360471611.db2.gz OUXFSQBCDKYSTQ-QWRGUYRKSA-N 2 2 303.366 2.043 20 5 DEBDLP O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000602649313 360476172 /nfs/dbraw/zinc/47/61/72/360476172.db2.gz BAXCJQVCVWKFJA-UHFFFAOYSA-N 2 2 300.362 2.460 20 5 DEBDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154373901 402209176 /nfs/dbraw/zinc/20/91/76/402209176.db2.gz HTEDGCKVIOFPHG-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154373901 402209180 /nfs/dbraw/zinc/20/91/80/402209180.db2.gz HTEDGCKVIOFPHG-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154373901 402209183 /nfs/dbraw/zinc/20/91/83/402209183.db2.gz HTEDGCKVIOFPHG-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154373901 402209185 /nfs/dbraw/zinc/20/91/85/402209185.db2.gz HTEDGCKVIOFPHG-WBVHZDCISA-N 2 2 321.421 2.434 20 5 DEBDLP [NH3+][C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414900544 404761985 /nfs/dbraw/zinc/76/19/85/404761985.db2.gz WBGFAAXPPCUGSA-NSHDSACASA-N 2 2 301.293 2.023 20 5 DEBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430583301 405461683 /nfs/dbraw/zinc/46/16/83/405461683.db2.gz XNINPTZSVPFWRK-LBPRGKRZSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430583301 405461684 /nfs/dbraw/zinc/46/16/84/405461684.db2.gz XNINPTZSVPFWRK-LBPRGKRZSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430661600 405483976 /nfs/dbraw/zinc/48/39/76/405483976.db2.gz GNGCOCZMBXJBOV-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430661600 405483983 /nfs/dbraw/zinc/48/39/83/405483983.db2.gz GNGCOCZMBXJBOV-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422918819 230278942 /nfs/dbraw/zinc/27/89/42/230278942.db2.gz IIGWVSQZXFUKMW-KCQAQPDRSA-N 2 2 307.394 2.321 20 5 DEBDLP O=[N+]([O-])c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351549665 425039660 /nfs/dbraw/zinc/03/96/60/425039660.db2.gz CMDGBOLZGUWKPB-UHFFFAOYSA-N 2 2 309.329 2.847 20 5 DEBDLP CCO[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000922758012 636380717 /nfs/dbraw/zinc/38/07/17/636380717.db2.gz ZVFCMLCKJPMECT-LOWQCSRCSA-N 2 2 307.394 2.164 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765789562 640818931 /nfs/dbraw/zinc/81/89/31/640818931.db2.gz BAOGPMUHEMQCQR-BPUTZDHNSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765789562 640818932 /nfs/dbraw/zinc/81/89/32/640818932.db2.gz BAOGPMUHEMQCQR-BPUTZDHNSA-N 2 2 319.405 2.417 20 5 DEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000903843228 643481014 /nfs/dbraw/zinc/48/10/14/643481014.db2.gz GCLLAKSEJHXGAF-NHCYSSNCSA-N 2 2 302.334 2.048 20 5 DEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000903843228 643481018 /nfs/dbraw/zinc/48/10/18/643481018.db2.gz GCLLAKSEJHXGAF-NHCYSSNCSA-N 2 2 302.334 2.048 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000130634330 684191308 /nfs/dbraw/zinc/19/13/08/684191308.db2.gz VHEYMPLBHNOVST-UHFFFAOYSA-N 2 2 314.349 2.121 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000130634330 684191311 /nfs/dbraw/zinc/19/13/11/684191311.db2.gz VHEYMPLBHNOVST-UHFFFAOYSA-N 2 2 314.349 2.121 20 5 DEBDLP Cc1c(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873009928 689139845 /nfs/dbraw/zinc/13/98/45/689139845.db2.gz XCLXWWCYYIDNAO-OKILXGFUSA-N 2 2 321.421 2.492 20 5 DEBDLP Cc1c(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873009928 689139848 /nfs/dbraw/zinc/13/98/48/689139848.db2.gz XCLXWWCYYIDNAO-OKILXGFUSA-N 2 2 321.421 2.492 20 5 DEBDLP Cc1ccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001169054650 785023772 /nfs/dbraw/zinc/02/37/72/785023772.db2.gz NEDCNYYIDOEBCB-GOEBONIOSA-N 2 2 318.421 2.394 20 5 DEBDLP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001177803713 794755677 /nfs/dbraw/zinc/75/56/77/794755677.db2.gz DQGWZXIHRWFRNU-QGZVFWFLSA-N 2 2 319.405 2.328 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609787 795497817 /nfs/dbraw/zinc/49/78/17/795497817.db2.gz GFYKQLMDAVNFKI-HRCADAONSA-N 2 2 319.405 2.091 20 5 DEBDLP CCOc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155064336 797673675 /nfs/dbraw/zinc/67/36/75/797673675.db2.gz OZRIWYQBILJJBI-UHFFFAOYSA-N 2 2 317.349 2.041 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1O ZINC001560358682 1075138650 /nfs/dbraw/zinc/13/86/50/1075138650.db2.gz SLOMWRQJJHVVME-OLZOCXBDSA-N 2 2 323.393 2.271 20 5 DEBDLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423417884 529616681 /nfs/dbraw/zinc/61/66/81/529616681.db2.gz HKFUBPZZLFLKEY-JKSUJKDBSA-N 2 2 307.394 2.404 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000602511780 360410958 /nfs/dbraw/zinc/41/09/58/360410958.db2.gz RPKHRONMYDOTPT-LLVKDONJSA-N 2 2 316.361 2.310 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)nc2c1 ZINC000602511780 360410962 /nfs/dbraw/zinc/41/09/62/360410962.db2.gz RPKHRONMYDOTPT-LLVKDONJSA-N 2 2 316.361 2.310 20 5 DEBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640117 146115194 /nfs/dbraw/zinc/11/51/94/146115194.db2.gz AGVBNENXFIWSDI-UWVGGRQHSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346640117 146115198 /nfs/dbraw/zinc/11/51/98/146115198.db2.gz AGVBNENXFIWSDI-UWVGGRQHSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266760023 402989131 /nfs/dbraw/zinc/98/91/31/402989131.db2.gz SWDCMFBCHNMHIC-GJZGRUSLSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266760023 402989133 /nfs/dbraw/zinc/98/91/33/402989133.db2.gz SWDCMFBCHNMHIC-GJZGRUSLSA-N 2 2 319.405 2.310 20 5 DEBDLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672274 403156309 /nfs/dbraw/zinc/15/63/09/403156309.db2.gz VCKPCFCLERYHEI-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672274 403156311 /nfs/dbraw/zinc/15/63/11/403156311.db2.gz VCKPCFCLERYHEI-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672274 403156312 /nfs/dbraw/zinc/15/63/12/403156312.db2.gz VCKPCFCLERYHEI-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672274 403156315 /nfs/dbraw/zinc/15/63/15/403156315.db2.gz VCKPCFCLERYHEI-RHSMWYFYSA-N 2 2 321.421 2.292 20 5 DEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024169 403325357 /nfs/dbraw/zinc/32/53/57/403325357.db2.gz XBBOWMBNEFTXDR-SWLSCSKDSA-N 2 2 305.378 2.217 20 5 DEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024169 403325362 /nfs/dbraw/zinc/32/53/62/403325362.db2.gz XBBOWMBNEFTXDR-SWLSCSKDSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024169 403325365 /nfs/dbraw/zinc/32/53/65/403325365.db2.gz XBBOWMBNEFTXDR-SWLSCSKDSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024169 403325370 /nfs/dbraw/zinc/32/53/70/403325370.db2.gz XBBOWMBNEFTXDR-SWLSCSKDSA-N 2 2 305.378 2.217 20 5 DEBDLP [NH3+]C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000414890068 404760058 /nfs/dbraw/zinc/76/00/58/404760058.db2.gz TXWDSUFFHNJHFN-UHFFFAOYSA-N 2 2 301.293 2.167 20 5 DEBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000572451656 406670351 /nfs/dbraw/zinc/67/03/51/406670351.db2.gz MWNVLHINPNAKAT-ZIAGYGMSSA-N 2 2 321.425 2.349 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000757642266 639863538 /nfs/dbraw/zinc/86/35/38/639863538.db2.gz KWQBCVLKEOUUNE-LLVKDONJSA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000757642266 639863545 /nfs/dbraw/zinc/86/35/45/639863545.db2.gz KWQBCVLKEOUUNE-LLVKDONJSA-N 2 2 304.325 2.457 20 5 DEBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903717675 643437803 /nfs/dbraw/zinc/43/78/03/643437803.db2.gz CXEUYDOJUPZBDM-OAHLLOKOSA-N 2 2 318.421 2.107 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000848528681 651467713 /nfs/dbraw/zinc/46/77/13/651467713.db2.gz OEMUXMYZBSJZRC-ZENOOKHLSA-N 2 2 317.389 2.035 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000848528681 651467714 /nfs/dbraw/zinc/46/77/14/651467714.db2.gz OEMUXMYZBSJZRC-ZENOOKHLSA-N 2 2 317.389 2.035 20 5 DEBDLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335315494 1150395820 /nfs/dbraw/zinc/39/58/20/1150395820.db2.gz XHJJZJRFKBTBQD-OAHLLOKOSA-N 2 2 318.377 2.238 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cc[nH+]c2CC[NH3+])c1F ZINC001173179220 793620140 /nfs/dbraw/zinc/62/01/40/793620140.db2.gz OHTNDCMRCVVNSY-SNVBAGLBSA-N 2 2 322.340 2.244 20 5 DEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736770 1086119795 /nfs/dbraw/zinc/11/97/95/1086119795.db2.gz KGRGATDCDHUUNE-UHFFFAOYSA-N 2 2 305.382 2.114 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC23CC3)c1F ZINC001246132896 1140864940 /nfs/dbraw/zinc/86/49/40/1140864940.db2.gz NGAWQEQRBDRCJN-IINYFYTJSA-N 2 2 323.368 2.015 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846902 1142595758 /nfs/dbraw/zinc/59/57/58/1142595758.db2.gz ZTXSCGKPJXBBHD-ARFHVFGLSA-N 2 2 319.405 2.091 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000591581845 357739353 /nfs/dbraw/zinc/73/93/53/357739353.db2.gz ZPEVLEGPMWHRLU-SOUVJXGZSA-N 2 2 307.369 2.206 20 5 DEBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118352 240076980 /nfs/dbraw/zinc/07/69/80/240076980.db2.gz RZSVZPQTUIOZEN-ZBFHGGJFSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118352 240076990 /nfs/dbraw/zinc/07/69/90/240076990.db2.gz RZSVZPQTUIOZEN-ZBFHGGJFSA-N 2 2 321.421 2.226 20 5 DEBDLP Cc1cc(NCC[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272891948 210281668 /nfs/dbraw/zinc/28/16/68/210281668.db2.gz XZDPISUGRKZPPR-UHFFFAOYSA-N 2 2 316.361 2.196 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000362637801 133242691 /nfs/dbraw/zinc/24/26/91/133242691.db2.gz RITCZZVJHNBJRW-CQSZACIVSA-N 2 2 304.394 2.175 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000362637801 133242692 /nfs/dbraw/zinc/24/26/92/133242692.db2.gz RITCZZVJHNBJRW-CQSZACIVSA-N 2 2 304.394 2.175 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300051 148084544 /nfs/dbraw/zinc/08/45/44/148084544.db2.gz MLIKYGZQOSKHPV-DJIMGWMZSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300051 148084547 /nfs/dbraw/zinc/08/45/47/148084547.db2.gz MLIKYGZQOSKHPV-DJIMGWMZSA-N 2 2 319.405 2.278 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266760017 402989168 /nfs/dbraw/zinc/98/91/68/402989168.db2.gz SWDCMFBCHNMHIC-CABCVRRESA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266760017 402989169 /nfs/dbraw/zinc/98/91/69/402989169.db2.gz SWDCMFBCHNMHIC-CABCVRRESA-N 2 2 319.405 2.310 20 5 DEBDLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772554 403122407 /nfs/dbraw/zinc/12/24/07/403122407.db2.gz YXPUHVZCIBSQCM-GXTWGEPZSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772554 403122409 /nfs/dbraw/zinc/12/24/09/403122409.db2.gz YXPUHVZCIBSQCM-GXTWGEPZSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772554 403122411 /nfs/dbraw/zinc/12/24/11/403122411.db2.gz YXPUHVZCIBSQCM-GXTWGEPZSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772554 403122412 /nfs/dbraw/zinc/12/24/12/403122412.db2.gz YXPUHVZCIBSQCM-GXTWGEPZSA-N 2 2 307.394 2.375 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000269636666 403152149 /nfs/dbraw/zinc/15/21/49/403152149.db2.gz HPRAUNIZLJGYDF-RHSMWYFYSA-N 2 2 319.405 2.046 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000269636666 403152151 /nfs/dbraw/zinc/15/21/51/403152151.db2.gz HPRAUNIZLJGYDF-RHSMWYFYSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031742 404049938 /nfs/dbraw/zinc/04/99/38/404049938.db2.gz QEIKYSBSVKHGOZ-ZDUSSCGKSA-N 2 2 304.394 2.175 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031742 404049942 /nfs/dbraw/zinc/04/99/42/404049942.db2.gz QEIKYSBSVKHGOZ-ZDUSSCGKSA-N 2 2 304.394 2.175 20 5 DEBDLP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414898081 533881810 /nfs/dbraw/zinc/88/18/10/533881810.db2.gz FXCOVTPREUYMHA-INIZCTEOSA-N 2 2 323.393 2.091 20 5 DEBDLP C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000925762251 634724090 /nfs/dbraw/zinc/72/40/90/634724090.db2.gz HZPCEQLLHPAHKH-QMMMGPOBSA-N 2 2 314.183 2.055 20 5 DEBDLP C[C@]1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000904301420 643630785 /nfs/dbraw/zinc/63/07/85/643630785.db2.gz HFNPHTNPPXFHGT-KRWDZBQOSA-N 2 2 318.421 2.107 20 5 DEBDLP O=[N+]([O-])CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848415 694042189 /nfs/dbraw/zinc/04/21/89/694042189.db2.gz SAQLBEZNQKVUBJ-SJORKVTESA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848415 694042195 /nfs/dbraw/zinc/04/21/95/694042195.db2.gz SAQLBEZNQKVUBJ-SJORKVTESA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929848415 694042199 /nfs/dbraw/zinc/04/21/99/694042199.db2.gz SAQLBEZNQKVUBJ-SJORKVTESA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929848415 694042203 /nfs/dbraw/zinc/04/22/03/694042203.db2.gz SAQLBEZNQKVUBJ-SJORKVTESA-N 2 2 303.406 2.250 20 5 DEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866341603 687541984 /nfs/dbraw/zinc/54/19/84/687541984.db2.gz ANOMOARLXSXCRV-SMDDNHRTSA-N 2 2 318.352 2.466 20 5 DEBDLP CCO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961647 693536205 /nfs/dbraw/zinc/53/62/05/693536205.db2.gz PQIUZOWEMDYFNC-WFASDCNBSA-N 2 2 307.394 2.138 20 5 DEBDLP C[N+](C)(C)CCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001224775855 781627737 /nfs/dbraw/zinc/62/77/37/781627737.db2.gz QAVSLWNYIOBKKB-UHFFFAOYSA-N 2 2 311.471 2.118 20 5 DEBDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])c3ccccc31)CC[NH2+]CC2 ZINC001165353291 799712276 /nfs/dbraw/zinc/71/22/76/799712276.db2.gz ODAWVYMIOOGGKU-UHFFFAOYSA-N 2 2 323.356 2.325 20 5 DEBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344185 529810590 /nfs/dbraw/zinc/81/05/90/529810590.db2.gz PQQAQCNOHAKLOE-IRXDYDNUSA-N 2 2 319.405 2.019 20 5 DEBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344185 529810591 /nfs/dbraw/zinc/81/05/91/529810591.db2.gz PQQAQCNOHAKLOE-IRXDYDNUSA-N 2 2 319.405 2.019 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785551 186065859 /nfs/dbraw/zinc/06/58/59/186065859.db2.gz KYCHSBUEAJKDIA-HNNXBMFYSA-N 2 2 319.405 2.391 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785551 186065861 /nfs/dbraw/zinc/06/58/61/186065861.db2.gz KYCHSBUEAJKDIA-HNNXBMFYSA-N 2 2 319.405 2.391 20 5 DEBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000595349479 358427617 /nfs/dbraw/zinc/42/76/17/358427617.db2.gz YSFXLBDUONJFGB-UHFFFAOYSA-N 2 2 316.336 2.451 20 5 DEBDLP C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000153301251 402138304 /nfs/dbraw/zinc/13/83/04/402138304.db2.gz WNDVMBMUMBJKBU-KBPBESRZSA-N 2 2 307.394 2.214 20 5 DEBDLP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566416441 292237177 /nfs/dbraw/zinc/23/71/77/292237177.db2.gz PHRZDQSXJCSRAA-UHFFFAOYSA-N 2 2 321.768 2.294 20 5 DEBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000304451959 403793991 /nfs/dbraw/zinc/79/39/91/403793991.db2.gz OSHKGVLNGCOXCK-WMLDXEAASA-N 2 2 321.421 2.338 20 5 DEBDLP Cc1[nH+]ccn1CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621898 404497453 /nfs/dbraw/zinc/49/74/53/404497453.db2.gz VAXCASGKEASGBB-UHFFFAOYSA-N 2 2 316.361 2.384 20 5 DEBDLP Cc1[nH+]ccn1CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621898 404497458 /nfs/dbraw/zinc/49/74/58/404497458.db2.gz VAXCASGKEASGBB-UHFFFAOYSA-N 2 2 316.361 2.384 20 5 DEBDLP [NH3+]CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000342385769 404546362 /nfs/dbraw/zinc/54/63/62/404546362.db2.gz KEHPPDFNSUYHQW-UHFFFAOYSA-N 2 2 315.373 2.435 20 5 DEBDLP [NH3+]CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000342385769 404546370 /nfs/dbraw/zinc/54/63/70/404546370.db2.gz KEHPPDFNSUYHQW-UHFFFAOYSA-N 2 2 315.373 2.435 20 5 DEBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414841931 404747434 /nfs/dbraw/zinc/74/74/34/404747434.db2.gz OJMDJNCZIBOXJO-VIFPVBQESA-N 2 2 303.309 2.141 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588689 405462423 /nfs/dbraw/zinc/46/24/23/405462423.db2.gz AFJJRSIMIGSDSP-QWHCGFSZSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588689 405462425 /nfs/dbraw/zinc/46/24/25/405462425.db2.gz AFJJRSIMIGSDSP-QWHCGFSZSA-N 2 2 322.409 2.227 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385084 405535408 /nfs/dbraw/zinc/53/54/08/405535408.db2.gz DOOHVLKOMUQASX-SEJWUHKESA-N 2 2 319.405 2.044 20 5 DEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385084 405535413 /nfs/dbraw/zinc/53/54/13/405535413.db2.gz DOOHVLKOMUQASX-SEJWUHKESA-N 2 2 319.405 2.044 20 5 DEBDLP CCC[NH2+]CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423306666 405754603 /nfs/dbraw/zinc/75/46/03/405754603.db2.gz FLIBPPDFERTESJ-OAHLLOKOSA-N 2 2 317.393 2.007 20 5 DEBDLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892560181 625151163 /nfs/dbraw/zinc/15/11/63/625151163.db2.gz SWTYKGMVRGZUNY-UHFFFAOYSA-N 2 2 315.801 2.306 20 5 DEBDLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892560181 625151164 /nfs/dbraw/zinc/15/11/64/625151164.db2.gz SWTYKGMVRGZUNY-UHFFFAOYSA-N 2 2 315.801 2.306 20 5 DEBDLP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000902430621 643036271 /nfs/dbraw/zinc/03/62/71/643036271.db2.gz PEIPOKZHOYLOND-OAUYIBNBSA-N 2 2 319.405 2.055 20 5 DEBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104434 652340768 /nfs/dbraw/zinc/34/07/68/652340768.db2.gz BUDZVRNBPPMNOF-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104434 652340772 /nfs/dbraw/zinc/34/07/72/652340772.db2.gz BUDZVRNBPPMNOF-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104434 652340773 /nfs/dbraw/zinc/34/07/73/652340773.db2.gz BUDZVRNBPPMNOF-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104434 652340776 /nfs/dbraw/zinc/34/07/76/652340776.db2.gz BUDZVRNBPPMNOF-IAGOWNOFSA-N 2 2 319.405 2.046 20 5 DEBDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035806 688917305 /nfs/dbraw/zinc/91/73/05/688917305.db2.gz ZBCCAIZZQNOGRV-CHWSQXEVSA-N 2 2 324.400 2.020 20 5 DEBDLP Cc1[nH]c(C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886659810 692150852 /nfs/dbraw/zinc/15/08/52/692150852.db2.gz VZPDVMZFPUVTLH-UHFFFAOYSA-N 2 2 318.381 2.048 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CC[NH3+])C(C)C)c1F ZINC001173178947 793620095 /nfs/dbraw/zinc/62/00/95/793620095.db2.gz NOZZMAJIWKJSSS-NSHDSACASA-N 2 2 313.373 2.343 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](CC[NH3+])C(C)C)c1F ZINC001173178947 793620104 /nfs/dbraw/zinc/62/01/04/793620104.db2.gz NOZZMAJIWKJSSS-NSHDSACASA-N 2 2 313.373 2.343 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609788 795497963 /nfs/dbraw/zinc/49/79/63/795497963.db2.gz GFYKQLMDAVNFKI-OWCLPIDISA-N 2 2 319.405 2.091 20 5 DEBDLP C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489223 361841310 /nfs/dbraw/zinc/84/13/10/361841310.db2.gz ZCRUBRLSMDHOCN-CHWSQXEVSA-N 2 2 321.425 2.071 20 5 DEBDLP C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489223 361841312 /nfs/dbraw/zinc/84/13/12/361841312.db2.gz ZCRUBRLSMDHOCN-CHWSQXEVSA-N 2 2 321.425 2.071 20 5 DEBDLP C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[NH+](C)C1 ZINC000444652091 530022927 /nfs/dbraw/zinc/02/29/27/530022927.db2.gz SFWKVPMTIAEDMD-GFCCVEGCSA-N 2 2 317.393 2.245 20 5 DEBDLP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[NH+](C)C1 ZINC000444652091 530022929 /nfs/dbraw/zinc/02/29/29/530022929.db2.gz SFWKVPMTIAEDMD-GFCCVEGCSA-N 2 2 317.393 2.245 20 5 DEBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[N@H+](C)C1 ZINC000444652091 530022930 /nfs/dbraw/zinc/02/29/30/530022930.db2.gz SFWKVPMTIAEDMD-GFCCVEGCSA-N 2 2 317.393 2.245 20 5 DEBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444652091 530022932 /nfs/dbraw/zinc/02/29/32/530022932.db2.gz SFWKVPMTIAEDMD-GFCCVEGCSA-N 2 2 317.393 2.245 20 5 DEBDLP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885442 198265152 /nfs/dbraw/zinc/26/51/52/198265152.db2.gz GZJKJPBTPWKDSY-CQSZACIVSA-N 2 2 307.394 2.247 20 5 DEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885442 198265154 /nfs/dbraw/zinc/26/51/54/198265154.db2.gz GZJKJPBTPWKDSY-CQSZACIVSA-N 2 2 307.394 2.247 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885442 198265156 /nfs/dbraw/zinc/26/51/56/198265156.db2.gz GZJKJPBTPWKDSY-CQSZACIVSA-N 2 2 307.394 2.247 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885442 198265158 /nfs/dbraw/zinc/26/51/58/198265158.db2.gz GZJKJPBTPWKDSY-CQSZACIVSA-N 2 2 307.394 2.247 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000155643946 197074888 /nfs/dbraw/zinc/07/48/88/197074888.db2.gz WPSIXKRCAPBVOF-HNNXBMFYSA-N 2 2 300.362 2.402 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499072 221020604 /nfs/dbraw/zinc/02/06/04/221020604.db2.gz KJQVZPKEOQGUQB-WFASDCNBSA-N 2 2 307.394 2.009 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499072 221020607 /nfs/dbraw/zinc/02/06/07/221020607.db2.gz KJQVZPKEOQGUQB-WFASDCNBSA-N 2 2 307.394 2.009 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422714770 533223178 /nfs/dbraw/zinc/22/31/78/533223178.db2.gz LKZQKKJIGBOMDW-SNVBAGLBSA-N 2 2 302.334 2.262 20 5 DEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000567402309 292311100 /nfs/dbraw/zinc/31/11/00/292311100.db2.gz PVYWVIFWCCPFKD-UHFFFAOYSA-N 2 2 321.768 2.294 20 5 DEBDLP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)c([N+](=O)[O-])cc1OC ZINC000414847034 404747761 /nfs/dbraw/zinc/74/77/61/404747761.db2.gz UJYDVLVDGNDCTJ-UHFFFAOYSA-N 2 2 323.393 2.363 20 5 DEBDLP [NH3+]C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435383061 404975317 /nfs/dbraw/zinc/97/53/17/404975317.db2.gz DPRCZJNHNQQKQW-LLVKDONJSA-N 2 2 318.402 2.499 20 5 DEBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435383061 404975320 /nfs/dbraw/zinc/97/53/20/404975320.db2.gz DPRCZJNHNQQKQW-LLVKDONJSA-N 2 2 318.402 2.499 20 5 DEBDLP Cc1cc(N2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420123822 405289422 /nfs/dbraw/zinc/28/94/22/405289422.db2.gz RGQILSRZWGINRK-ZDUSSCGKSA-N 2 2 313.361 2.288 20 5 DEBDLP C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000420367334 405333700 /nfs/dbraw/zinc/33/37/00/405333700.db2.gz JYAVBNVHEKGHNM-RISCZKNCSA-N 2 2 316.361 2.071 20 5 DEBDLP C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000420367334 405333701 /nfs/dbraw/zinc/33/37/01/405333701.db2.gz JYAVBNVHEKGHNM-RISCZKNCSA-N 2 2 316.361 2.071 20 5 DEBDLP C[NH2+]C[C@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420213725 405295637 /nfs/dbraw/zinc/29/56/37/405295637.db2.gz VAGHZDQCGKLPJB-NSHDSACASA-N 2 2 315.377 2.050 20 5 DEBDLP C[NH2+]CCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420224198 405296944 /nfs/dbraw/zinc/29/69/44/405296944.db2.gz FLWTYSQPHDOMIM-UHFFFAOYSA-N 2 2 301.350 2.016 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600543 405464317 /nfs/dbraw/zinc/46/43/17/405464317.db2.gz SGXVJKWFWNSULD-IUODEOHRSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600543 405464318 /nfs/dbraw/zinc/46/43/18/405464318.db2.gz SGXVJKWFWNSULD-IUODEOHRSA-N 2 2 323.393 2.041 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000430620019 405467527 /nfs/dbraw/zinc/46/75/27/405467527.db2.gz BQRCZNYAIDCCAJ-AWEZNQCLSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000430620019 405467531 /nfs/dbraw/zinc/46/75/31/405467531.db2.gz BQRCZNYAIDCCAJ-AWEZNQCLSA-N 2 2 320.393 2.045 20 5 DEBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000432371493 405755762 /nfs/dbraw/zinc/75/57/62/405755762.db2.gz ZOCBKQQRACCGNF-AWEZNQCLSA-N 2 2 307.394 2.185 20 5 DEBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000432371493 405755767 /nfs/dbraw/zinc/75/57/67/405755767.db2.gz ZOCBKQQRACCGNF-AWEZNQCLSA-N 2 2 307.394 2.185 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000584124148 405832102 /nfs/dbraw/zinc/83/21/02/405832102.db2.gz VPEYTNONYWGWPF-BBRMVZONSA-N 2 2 319.405 2.019 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000584124148 405832109 /nfs/dbraw/zinc/83/21/09/405832109.db2.gz VPEYTNONYWGWPF-BBRMVZONSA-N 2 2 319.405 2.019 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865677 406164774 /nfs/dbraw/zinc/16/47/74/406164774.db2.gz WESCDPUSNUFMJZ-ZDUSSCGKSA-N 2 2 316.361 2.197 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865677 406164779 /nfs/dbraw/zinc/16/47/79/406164779.db2.gz WESCDPUSNUFMJZ-ZDUSSCGKSA-N 2 2 316.361 2.197 20 5 DEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917074 230279271 /nfs/dbraw/zinc/27/92/71/230279271.db2.gz FKQYZGOMDFSFQF-ZBFHGGJFSA-N 2 2 321.421 2.274 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422918821 274759689 /nfs/dbraw/zinc/75/96/89/274759689.db2.gz IIGWVSQZXFUKMW-YDHLFZDLSA-N 2 2 307.394 2.321 20 5 DEBDLP COc1c(O)ccc(C[NH2+]CCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000892517483 625085275 /nfs/dbraw/zinc/08/52/75/625085275.db2.gz MCMYCDIVRHYGEV-UHFFFAOYSA-N 2 2 311.382 2.129 20 5 DEBDLP COc1c(O)ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000892517483 625085276 /nfs/dbraw/zinc/08/52/76/625085276.db2.gz MCMYCDIVRHYGEV-UHFFFAOYSA-N 2 2 311.382 2.129 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000893094539 625107089 /nfs/dbraw/zinc/10/70/89/625107089.db2.gz LJDFPMFBSLLKDV-OLZOCXBDSA-N 2 2 323.393 2.271 20 5 DEBDLP C[NH2+]CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000903572267 643394069 /nfs/dbraw/zinc/39/40/69/643394069.db2.gz LZTVYRCKNKCJKB-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000903572267 643394073 /nfs/dbraw/zinc/39/40/73/643394073.db2.gz LZTVYRCKNKCJKB-UHFFFAOYSA-N 2 2 322.409 2.162 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000877619063 690168849 /nfs/dbraw/zinc/16/88/49/690168849.db2.gz MZDCCGCTMHEKLA-FPCDFSMTSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000877619063 690168851 /nfs/dbraw/zinc/16/88/51/690168851.db2.gz MZDCCGCTMHEKLA-FPCDFSMTSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000877656421 690180984 /nfs/dbraw/zinc/18/09/84/690180984.db2.gz HWTJLUDYLLYNDU-BLZCZZARSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000877656421 690180986 /nfs/dbraw/zinc/18/09/86/690180986.db2.gz HWTJLUDYLLYNDU-BLZCZZARSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001334796860 1150342549 /nfs/dbraw/zinc/34/25/49/1150342549.db2.gz SUMUMKHZQUGBED-ALOPSCKCSA-N 2 2 303.406 2.438 20 5 DEBDLP O=[N+]([O-])CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001334796860 1150342553 /nfs/dbraw/zinc/34/25/53/1150342553.db2.gz SUMUMKHZQUGBED-ALOPSCKCSA-N 2 2 303.406 2.438 20 5 DEBDLP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001177803712 794755730 /nfs/dbraw/zinc/75/57/30/794755730.db2.gz DQGWZXIHRWFRNU-KRWDZBQOSA-N 2 2 319.405 2.328 20 5 DEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119435693 795301602 /nfs/dbraw/zinc/30/16/02/795301602.db2.gz QXEUESQFUJTXQR-ZDUSSCGKSA-N 2 2 315.377 2.178 20 5 DEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119435693 795301611 /nfs/dbraw/zinc/30/16/11/795301611.db2.gz QXEUESQFUJTXQR-ZDUSSCGKSA-N 2 2 315.377 2.178 20 5 DEBDLP Cc1c(C)c(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001156182589 797940758 /nfs/dbraw/zinc/94/07/58/797940758.db2.gz YPKXRHFXKKNBFX-UHFFFAOYSA-N 2 2 321.425 2.045 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152465771 186076099 /nfs/dbraw/zinc/07/60/99/186076099.db2.gz KMDMGUVOQFUJTC-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152465771 186076101 /nfs/dbraw/zinc/07/61/01/186076101.db2.gz KMDMGUVOQFUJTC-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152465771 186076103 /nfs/dbraw/zinc/07/61/03/186076103.db2.gz KMDMGUVOQFUJTC-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152465771 186076105 /nfs/dbraw/zinc/07/61/05/186076105.db2.gz KMDMGUVOQFUJTC-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210153 213369179 /nfs/dbraw/zinc/36/91/79/213369179.db2.gz NDVRHSSMLLSMMT-GOEBONIOSA-N 2 2 307.394 2.044 20 5 DEBDLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210153 213369182 /nfs/dbraw/zinc/36/91/82/213369182.db2.gz NDVRHSSMLLSMMT-GOEBONIOSA-N 2 2 307.394 2.044 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000579128506 356927443 /nfs/dbraw/zinc/92/74/43/356927443.db2.gz DCGBYWZPXNUOAI-INIZCTEOSA-N 2 2 319.405 2.019 20 5 DEBDLP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427661 357874819 /nfs/dbraw/zinc/87/48/19/357874819.db2.gz NYWSKUIXICJQIV-DGCLKSJQSA-N 2 2 323.393 2.171 20 5 DEBDLP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427661 357874822 /nfs/dbraw/zinc/87/48/22/357874822.db2.gz NYWSKUIXICJQIV-DGCLKSJQSA-N 2 2 323.393 2.171 20 5 DEBDLP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592484894 357884944 /nfs/dbraw/zinc/88/49/44/357884944.db2.gz HCMWATRIVPTZRH-GFCCVEGCSA-N 2 2 320.393 2.043 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388900 358437209 /nfs/dbraw/zinc/43/72/09/358437209.db2.gz YOMZZCZHCFBHLP-JSGCOSHPSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388900 358437214 /nfs/dbraw/zinc/43/72/14/358437214.db2.gz YOMZZCZHCFBHLP-JSGCOSHPSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388900 358437219 /nfs/dbraw/zinc/43/72/19/358437219.db2.gz YOMZZCZHCFBHLP-JSGCOSHPSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388900 358437223 /nfs/dbraw/zinc/43/72/23/358437223.db2.gz YOMZZCZHCFBHLP-JSGCOSHPSA-N 2 2 320.393 2.340 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395398 358439540 /nfs/dbraw/zinc/43/95/40/358439540.db2.gz VGRJLEQERNCXLZ-JQWIXIFHSA-N 2 2 305.338 2.171 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395398 358439543 /nfs/dbraw/zinc/43/95/43/358439543.db2.gz VGRJLEQERNCXLZ-JQWIXIFHSA-N 2 2 305.338 2.171 20 5 DEBDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000598994019 359378817 /nfs/dbraw/zinc/37/88/17/359378817.db2.gz FULLAYVYWZOYQO-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000598994019 359378820 /nfs/dbraw/zinc/37/88/20/359378820.db2.gz FULLAYVYWZOYQO-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000315601767 145360877 /nfs/dbraw/zinc/36/08/77/145360877.db2.gz NEAIKEJZDAYFIC-LLVKDONJSA-N 2 2 303.366 2.245 20 5 DEBDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246974615 402551819 /nfs/dbraw/zinc/55/18/19/402551819.db2.gz JQTOILUFGJVGKQ-WFASDCNBSA-N 2 2 307.394 2.423 20 5 DEBDLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246974615 402551821 /nfs/dbraw/zinc/55/18/21/402551821.db2.gz JQTOILUFGJVGKQ-WFASDCNBSA-N 2 2 307.394 2.423 20 5 DEBDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772565 403122249 /nfs/dbraw/zinc/12/22/49/403122249.db2.gz YXPUHVZCIBSQCM-OCCSQVGLSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772565 403122251 /nfs/dbraw/zinc/12/22/51/403122251.db2.gz YXPUHVZCIBSQCM-OCCSQVGLSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772565 403122252 /nfs/dbraw/zinc/12/22/52/403122252.db2.gz YXPUHVZCIBSQCM-OCCSQVGLSA-N 2 2 307.394 2.375 20 5 DEBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772565 403122254 /nfs/dbraw/zinc/12/22/54/403122254.db2.gz YXPUHVZCIBSQCM-OCCSQVGLSA-N 2 2 307.394 2.375 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967388 403235661 /nfs/dbraw/zinc/23/56/61/403235661.db2.gz GKXXMEFRHXVJFF-JRPNMDOOSA-N 2 2 304.394 2.310 20 5 DEBDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967388 403235662 /nfs/dbraw/zinc/23/56/62/403235662.db2.gz GKXXMEFRHXVJFF-JRPNMDOOSA-N 2 2 304.394 2.310 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967398 403235737 /nfs/dbraw/zinc/23/57/37/403235737.db2.gz GKXXMEFRHXVJFF-ZETOZRRWSA-N 2 2 304.394 2.310 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967398 403235738 /nfs/dbraw/zinc/23/57/38/403235738.db2.gz GKXXMEFRHXVJFF-ZETOZRRWSA-N 2 2 304.394 2.310 20 5 DEBDLP C[N@H+](C[C@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284499 403894551 /nfs/dbraw/zinc/89/45/51/403894551.db2.gz AGXKSPJAFHPUGH-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP C[N@@H+](C[C@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284499 403894556 /nfs/dbraw/zinc/89/45/56/403894556.db2.gz AGXKSPJAFHPUGH-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284499 403894560 /nfs/dbraw/zinc/89/45/60/403894560.db2.gz AGXKSPJAFHPUGH-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284499 403894563 /nfs/dbraw/zinc/89/45/63/403894563.db2.gz AGXKSPJAFHPUGH-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786029 404239324 /nfs/dbraw/zinc/23/93/24/404239324.db2.gz BJXJMEMJUQWHOA-OLZOCXBDSA-N 2 2 321.377 2.025 20 5 DEBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786029 404239328 /nfs/dbraw/zinc/23/93/28/404239328.db2.gz BJXJMEMJUQWHOA-OLZOCXBDSA-N 2 2 321.377 2.025 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430561001 405457354 /nfs/dbraw/zinc/45/73/54/405457354.db2.gz JKXRGUAEOWWNAJ-AWEZNQCLSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430561001 405457356 /nfs/dbraw/zinc/45/73/56/405457356.db2.gz JKXRGUAEOWWNAJ-AWEZNQCLSA-N 2 2 322.409 2.147 20 5 DEBDLP CC[NH2+][C@H](C)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423395511 405788274 /nfs/dbraw/zinc/78/82/74/405788274.db2.gz SUVDGUGGXVEBOA-IUODEOHRSA-N 2 2 317.393 2.005 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000532479775 406079599 /nfs/dbraw/zinc/07/95/99/406079599.db2.gz MMQJOQBIHJAMGY-ZFWWWQNUSA-N 2 2 307.394 2.011 20 5 DEBDLP CC(C)[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000571538699 406535130 /nfs/dbraw/zinc/53/51/30/406535130.db2.gz SXCBPYPJTGBFMN-OAHLLOKOSA-N 2 2 318.377 2.159 20 5 DEBDLP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000571538699 406535133 /nfs/dbraw/zinc/53/51/33/406535133.db2.gz SXCBPYPJTGBFMN-OAHLLOKOSA-N 2 2 318.377 2.159 20 5 DEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192114 269125749 /nfs/dbraw/zinc/12/57/49/269125749.db2.gz ACAFUXBZNFTJLH-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192114 269125750 /nfs/dbraw/zinc/12/57/50/269125750.db2.gz ACAFUXBZNFTJLH-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192114 269125751 /nfs/dbraw/zinc/12/57/51/269125751.db2.gz ACAFUXBZNFTJLH-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192114 269125752 /nfs/dbraw/zinc/12/57/52/269125752.db2.gz ACAFUXBZNFTJLH-ZDUSSCGKSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000430218578 269126838 /nfs/dbraw/zinc/12/68/38/269126838.db2.gz JHOAFGZUAQJTOZ-UHFFFAOYSA-N 2 2 304.350 2.322 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000430218578 269126839 /nfs/dbraw/zinc/12/68/39/269126839.db2.gz JHOAFGZUAQJTOZ-UHFFFAOYSA-N 2 2 304.350 2.322 20 5 DEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000902428011 643035103 /nfs/dbraw/zinc/03/51/03/643035103.db2.gz AGBGVRFEYYJZTI-MJBXVCDLSA-N 2 2 307.394 2.055 20 5 DEBDLP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485181 643363014 /nfs/dbraw/zinc/36/30/14/643363014.db2.gz KMRKGRILBKAXSG-HNNXBMFYSA-N 2 2 305.378 2.238 20 5 DEBDLP Cc1c(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000903813922 643472103 /nfs/dbraw/zinc/47/21/03/643472103.db2.gz CPWRTOVJTQCOHY-UHFFFAOYSA-N 2 2 319.405 2.248 20 5 DEBDLP Cc1c(C[N@H+]2CC[NH2+]CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000903813922 643472106 /nfs/dbraw/zinc/47/21/06/643472106.db2.gz CPWRTOVJTQCOHY-UHFFFAOYSA-N 2 2 319.405 2.248 20 5 DEBDLP Cc1c(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873009929 689140003 /nfs/dbraw/zinc/14/00/03/689140003.db2.gz XCLXWWCYYIDNAO-ZIAGYGMSSA-N 2 2 321.421 2.492 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000877656422 690181239 /nfs/dbraw/zinc/18/12/39/690181239.db2.gz HWTJLUDYLLYNDU-HNFVBEJKSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000877656422 690181241 /nfs/dbraw/zinc/18/12/41/690181241.db2.gz HWTJLUDYLLYNDU-HNFVBEJKSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cc(Cl)cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155054472 797670542 /nfs/dbraw/zinc/67/05/42/797670542.db2.gz YSWCAIIMWPEBDO-UHFFFAOYSA-N 2 2 307.741 2.296 20 5 DEBDLP CC(C)[NH+]1CC(Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001157529472 798222122 /nfs/dbraw/zinc/22/21/22/798222122.db2.gz FQWVIBBPQDDXEA-AATRIKPKSA-N 2 2 305.382 2.027 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001461832106 1058721968 /nfs/dbraw/zinc/72/19/68/1058721968.db2.gz SAFQDRKDAURVDE-UHOFOFEASA-N 2 2 319.405 2.423 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001461832106 1058721986 /nfs/dbraw/zinc/72/19/86/1058721986.db2.gz SAFQDRKDAURVDE-UHOFOFEASA-N 2 2 319.405 2.423 20 5 DEBDLP C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCCCC1 ZINC001578446555 1067103768 /nfs/dbraw/zinc/10/37/68/1067103768.db2.gz ZZKCWQVGDFMUDU-OAHLLOKOSA-N 2 2 307.394 2.222 20 5 DEBDLP C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCCCC1 ZINC001578446555 1067103775 /nfs/dbraw/zinc/10/37/75/1067103775.db2.gz ZZKCWQVGDFMUDU-OAHLLOKOSA-N 2 2 307.394 2.222 20 5 DEBDLP C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489226 361841557 /nfs/dbraw/zinc/84/15/57/361841557.db2.gz ZCRUBRLSMDHOCN-OLZOCXBDSA-N 2 2 321.425 2.071 20 5 DEBDLP C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489226 361841562 /nfs/dbraw/zinc/84/15/62/361841562.db2.gz ZCRUBRLSMDHOCN-OLZOCXBDSA-N 2 2 321.425 2.071 20 5 DEBDLP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930533 530065425 /nfs/dbraw/zinc/06/54/25/530065425.db2.gz IXDNUOFWNQREFL-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930533 530065426 /nfs/dbraw/zinc/06/54/26/530065426.db2.gz IXDNUOFWNQREFL-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930533 530065427 /nfs/dbraw/zinc/06/54/27/530065427.db2.gz IXDNUOFWNQREFL-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930533 530065428 /nfs/dbraw/zinc/06/54/28/530065428.db2.gz IXDNUOFWNQREFL-SJORKVTESA-N 2 2 319.405 2.046 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785523 186065899 /nfs/dbraw/zinc/06/58/99/186065899.db2.gz KYCHSBUEAJKDIA-OAHLLOKOSA-N 2 2 319.405 2.391 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785523 186065901 /nfs/dbraw/zinc/06/59/01/186065901.db2.gz KYCHSBUEAJKDIA-OAHLLOKOSA-N 2 2 319.405 2.391 20 5 DEBDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602521299 360416572 /nfs/dbraw/zinc/41/65/72/360416572.db2.gz PBNUUHZZBWIRQZ-NSHDSACASA-N 2 2 304.350 2.167 20 5 DEBDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602521299 360416575 /nfs/dbraw/zinc/41/65/75/360416575.db2.gz PBNUUHZZBWIRQZ-NSHDSACASA-N 2 2 304.350 2.167 20 5 DEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647877 133090981 /nfs/dbraw/zinc/09/09/81/133090981.db2.gz MWFXSTZKOCBBNB-ZDUSSCGKSA-N 2 2 307.394 2.044 20 5 DEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647877 133090982 /nfs/dbraw/zinc/09/09/82/133090982.db2.gz MWFXSTZKOCBBNB-ZDUSSCGKSA-N 2 2 307.394 2.044 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000321505609 145377166 /nfs/dbraw/zinc/37/71/66/145377166.db2.gz BGSRVDBMRWURSV-IMJJTQAJSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000321505609 145377167 /nfs/dbraw/zinc/37/71/67/145377167.db2.gz BGSRVDBMRWURSV-IMJJTQAJSA-N 2 2 319.405 2.417 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289394 148083837 /nfs/dbraw/zinc/08/38/37/148083837.db2.gz KSEPZJHQLHOCMP-DJIMGWMZSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000371289394 148083839 /nfs/dbraw/zinc/08/38/39/148083839.db2.gz KSEPZJHQLHOCMP-DJIMGWMZSA-N 2 2 319.405 2.278 20 5 DEBDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658002 402190497 /nfs/dbraw/zinc/19/04/97/402190497.db2.gz NXZFPAQFWYKJPC-OAHLLOKOSA-N 2 2 318.421 2.201 20 5 DEBDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658002 402190501 /nfs/dbraw/zinc/19/05/01/402190501.db2.gz NXZFPAQFWYKJPC-OAHLLOKOSA-N 2 2 318.421 2.201 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803258 402244324 /nfs/dbraw/zinc/24/43/24/402244324.db2.gz CXBSWRTXMJBFQS-INIZCTEOSA-N 2 2 319.405 2.139 20 5 DEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803258 402244327 /nfs/dbraw/zinc/24/43/27/402244327.db2.gz CXBSWRTXMJBFQS-INIZCTEOSA-N 2 2 319.405 2.139 20 5 DEBDLP COCC[N@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268837757 403119734 /nfs/dbraw/zinc/11/97/34/403119734.db2.gz LXJJTCWRXUGRPD-MRXNPFEDSA-N 2 2 321.421 2.084 20 5 DEBDLP COCC[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268837757 403119736 /nfs/dbraw/zinc/11/97/36/403119736.db2.gz LXJJTCWRXUGRPD-MRXNPFEDSA-N 2 2 321.421 2.084 20 5 DEBDLP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541467 404445198 /nfs/dbraw/zinc/44/51/98/404445198.db2.gz YEPROEJETMFFIH-MRXNPFEDSA-N 2 2 305.378 2.179 20 5 DEBDLP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541467 404445208 /nfs/dbraw/zinc/44/52/08/404445208.db2.gz YEPROEJETMFFIH-MRXNPFEDSA-N 2 2 305.378 2.179 20 5 DEBDLP C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C[NH3+] ZINC000430591839 405463166 /nfs/dbraw/zinc/46/31/66/405463166.db2.gz OUIHLGLCRHSLMD-UHFFFAOYSA-N 2 2 319.365 2.062 20 5 DEBDLP C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C[NH3+] ZINC000430591839 405463167 /nfs/dbraw/zinc/46/31/67/405463167.db2.gz OUIHLGLCRHSLMD-UHFFFAOYSA-N 2 2 319.365 2.062 20 5 DEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192113 269126183 /nfs/dbraw/zinc/12/61/83/269126183.db2.gz ACAFUXBZNFTJLH-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192113 269126185 /nfs/dbraw/zinc/12/61/85/269126185.db2.gz ACAFUXBZNFTJLH-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192113 269126186 /nfs/dbraw/zinc/12/61/86/269126186.db2.gz ACAFUXBZNFTJLH-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192113 269126188 /nfs/dbraw/zinc/12/61/88/269126188.db2.gz ACAFUXBZNFTJLH-CYBMUJFWSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000892620821 625200243 /nfs/dbraw/zinc/20/02/43/625200243.db2.gz DOEOAYCWWCXBOS-GFCCVEGCSA-N 2 2 323.393 2.131 20 5 DEBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000776592006 642190706 /nfs/dbraw/zinc/19/07/06/642190706.db2.gz ODFHIPLCKBKXMU-INIZCTEOSA-N 2 2 316.361 2.162 20 5 DEBDLP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000920095498 648204442 /nfs/dbraw/zinc/20/44/42/648204442.db2.gz PISPNNOMSMKTHP-KRWDZBQOSA-N 2 2 321.421 2.262 20 5 DEBDLP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000920095498 648204444 /nfs/dbraw/zinc/20/44/44/648204444.db2.gz PISPNNOMSMKTHP-KRWDZBQOSA-N 2 2 321.421 2.262 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000848528675 651467796 /nfs/dbraw/zinc/46/77/96/651467796.db2.gz OEMUXMYZBSJZRC-IOASZLSFSA-N 2 2 317.389 2.035 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000848528675 651467798 /nfs/dbraw/zinc/46/77/98/651467798.db2.gz OEMUXMYZBSJZRC-IOASZLSFSA-N 2 2 317.389 2.035 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168985575 784986364 /nfs/dbraw/zinc/98/63/64/784986364.db2.gz TVDZWOSUATWUDL-HZPDHXFCSA-N 2 2 318.421 2.333 20 5 DEBDLP Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156182645 797941397 /nfs/dbraw/zinc/94/13/97/797941397.db2.gz ZQJJIQVTECUGSC-UHFFFAOYSA-N 2 2 321.425 2.045 20 5 DEBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001543797142 1072508015 /nfs/dbraw/zinc/50/80/15/1072508015.db2.gz PATBIWJEWIRMQO-UHFFFAOYSA-N 2 2 312.289 2.064 20 5 DEBDLP [NH3+]CCc1[nH+]ccn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465861 1143128758 /nfs/dbraw/zinc/12/87/58/1143128758.db2.gz NOUHKZGKAWVHBU-UHFFFAOYSA-N 2 2 315.377 2.134 20 5 DEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859356 191242261 /nfs/dbraw/zinc/24/22/61/191242261.db2.gz WBNPTWXDHAXPFS-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859356 191242264 /nfs/dbraw/zinc/24/22/64/191242264.db2.gz WBNPTWXDHAXPFS-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859356 191242267 /nfs/dbraw/zinc/24/22/67/191242267.db2.gz WBNPTWXDHAXPFS-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859356 191242270 /nfs/dbraw/zinc/24/22/70/191242270.db2.gz WBNPTWXDHAXPFS-AWEZNQCLSA-N 2 2 307.394 2.377 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000602511786 360410689 /nfs/dbraw/zinc/41/06/89/360410689.db2.gz RPKHRONMYDOTPT-NSHDSACASA-N 2 2 316.361 2.310 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)nc2c1 ZINC000602511786 360410697 /nfs/dbraw/zinc/41/06/97/360410697.db2.gz RPKHRONMYDOTPT-NSHDSACASA-N 2 2 316.361 2.310 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000602623308 360461764 /nfs/dbraw/zinc/46/17/64/360461764.db2.gz OMHWJWYDGQEBCY-JTQLQIEISA-N 2 2 313.317 2.037 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411950 361594862 /nfs/dbraw/zinc/59/48/62/361594862.db2.gz JDSXHWCSGJXDPG-NSHDSACASA-N 2 2 310.423 2.237 20 5 DEBDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348403507 284731318 /nfs/dbraw/zinc/73/13/18/284731318.db2.gz VVHSKVUQKVNVKQ-ZIAGYGMSSA-N 2 2 323.441 2.319 20 5 DEBDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178660249 402522789 /nfs/dbraw/zinc/52/27/89/402522789.db2.gz QIVFXVGGJQLRTH-ZDUSSCGKSA-N 2 2 307.394 2.356 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663570 403155213 /nfs/dbraw/zinc/15/52/13/403155213.db2.gz REPSGDNTDXPBOE-UKRRQHHQSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663570 403155214 /nfs/dbraw/zinc/15/52/14/403155214.db2.gz REPSGDNTDXPBOE-UKRRQHHQSA-N 2 2 316.361 2.231 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228020 403255427 /nfs/dbraw/zinc/25/54/27/403255427.db2.gz ULWUKUOQVYKPFE-GVXVVHGQSA-N 2 2 304.394 2.453 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228020 403255429 /nfs/dbraw/zinc/25/54/29/403255429.db2.gz ULWUKUOQVYKPFE-GVXVVHGQSA-N 2 2 304.394 2.453 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786030 404239733 /nfs/dbraw/zinc/23/97/33/404239733.db2.gz BJXJMEMJUQWHOA-QWHCGFSZSA-N 2 2 321.377 2.025 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000337786030 404239741 /nfs/dbraw/zinc/23/97/41/404239741.db2.gz BJXJMEMJUQWHOA-QWHCGFSZSA-N 2 2 321.377 2.025 20 5 DEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCOCC1 ZINC000344867146 404414174 /nfs/dbraw/zinc/41/41/74/404414174.db2.gz VDDNHZVLCJCVIW-QINSGFPZSA-N 2 2 319.405 2.310 20 5 DEBDLP [NH3+]CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000342406893 404559729 /nfs/dbraw/zinc/55/97/29/404559729.db2.gz AHGYBEXAYIZWCU-UHFFFAOYSA-N 2 2 315.373 2.435 20 5 DEBDLP [NH3+]CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000342406893 404559736 /nfs/dbraw/zinc/55/97/36/404559736.db2.gz AHGYBEXAYIZWCU-UHFFFAOYSA-N 2 2 315.373 2.435 20 5 DEBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414841929 404747183 /nfs/dbraw/zinc/74/71/83/404747183.db2.gz OJMDJNCZIBOXJO-SECBINFHSA-N 2 2 303.309 2.141 20 5 DEBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430963618 405549007 /nfs/dbraw/zinc/54/90/07/405549007.db2.gz AJRJXUAPDFBECS-ZDUSSCGKSA-N 2 2 307.394 2.423 20 5 DEBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430963618 405549012 /nfs/dbraw/zinc/54/90/12/405549012.db2.gz AJRJXUAPDFBECS-ZDUSSCGKSA-N 2 2 307.394 2.423 20 5 DEBDLP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088470 536752133 /nfs/dbraw/zinc/75/21/33/536752133.db2.gz FDCLIOSDEKXFJZ-NWDGAFQWSA-N 2 2 323.393 2.171 20 5 DEBDLP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088470 536752141 /nfs/dbraw/zinc/75/21/41/536752141.db2.gz FDCLIOSDEKXFJZ-NWDGAFQWSA-N 2 2 323.393 2.171 20 5 DEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000873134667 689167231 /nfs/dbraw/zinc/16/72/31/689167231.db2.gz SJMLZGMUDHHFDD-UHFFFAOYSA-N 2 2 321.421 2.148 20 5 DEBDLP CCO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961639 693536463 /nfs/dbraw/zinc/53/64/63/693536463.db2.gz PQIUZOWEMDYFNC-DOMZBBRYSA-N 2 2 307.394 2.138 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001169012191 785004034 /nfs/dbraw/zinc/00/40/34/785004034.db2.gz OQTDFWJDJVRPCC-KGLIPLIRSA-N 2 2 305.378 2.370 20 5 DEBDLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170295579 786892502 /nfs/dbraw/zinc/89/25/02/786892502.db2.gz VPCRJSZHCNOPNZ-ZDUSSCGKSA-N 2 2 309.410 2.466 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170295580 786893246 /nfs/dbraw/zinc/89/32/46/786893246.db2.gz VRASYBOYNRLNJG-CYBMUJFWSA-N 2 2 307.394 2.220 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1F)CC2 ZINC001246108234 1140861899 /nfs/dbraw/zinc/86/18/99/1140861899.db2.gz IPONDFWDHUJIBM-BPUTZDHNSA-N 2 2 307.369 2.132 20 5 DEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043056 355616501 /nfs/dbraw/zinc/61/65/01/355616501.db2.gz XBBOWMBNEFTXDR-DOMZBBRYSA-N 2 2 305.378 2.217 20 5 DEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043056 355616506 /nfs/dbraw/zinc/61/65/06/355616506.db2.gz XBBOWMBNEFTXDR-DOMZBBRYSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043056 355616510 /nfs/dbraw/zinc/61/65/10/355616510.db2.gz XBBOWMBNEFTXDR-DOMZBBRYSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043056 355616514 /nfs/dbraw/zinc/61/65/14/355616514.db2.gz XBBOWMBNEFTXDR-DOMZBBRYSA-N 2 2 305.378 2.217 20 5 DEBDLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000237190795 202182726 /nfs/dbraw/zinc/18/27/26/202182726.db2.gz LVIRTYBPEHGDDU-LBPRGKRZSA-N 2 2 304.350 2.226 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593968979 358181128 /nfs/dbraw/zinc/18/11/28/358181128.db2.gz UPDBFUUINLZNKZ-ZDUSSCGKSA-N 2 2 316.361 2.197 20 5 DEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593968979 358181130 /nfs/dbraw/zinc/18/11/30/358181130.db2.gz UPDBFUUINLZNKZ-ZDUSSCGKSA-N 2 2 316.361 2.197 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]CCCn3cc[nH+]c3)nc2c1 ZINC000602503091 360407574 /nfs/dbraw/zinc/40/75/74/360407574.db2.gz LAFILJRKYOVDEB-UHFFFAOYSA-N 2 2 301.306 2.112 20 5 DEBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000347111436 146196213 /nfs/dbraw/zinc/19/62/13/146196213.db2.gz QINHXPULXLHOQW-UHFFFAOYSA-N 2 2 315.320 2.380 20 5 DEBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000347111436 146196216 /nfs/dbraw/zinc/19/62/16/146196216.db2.gz QINHXPULXLHOQW-UHFFFAOYSA-N 2 2 315.320 2.380 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300053 148084566 /nfs/dbraw/zinc/08/45/66/148084566.db2.gz MLIKYGZQOSKHPV-OIISXLGYSA-N 2 2 319.405 2.278 20 5 DEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000371300053 148084567 /nfs/dbraw/zinc/08/45/67/148084567.db2.gz MLIKYGZQOSKHPV-OIISXLGYSA-N 2 2 319.405 2.278 20 5 DEBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154424288 402212025 /nfs/dbraw/zinc/21/20/25/402212025.db2.gz OOCLSUOVSKSPIE-PVAVHDDUSA-N 2 2 319.405 2.187 20 5 DEBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154424288 402212026 /nfs/dbraw/zinc/21/20/26/402212026.db2.gz OOCLSUOVSKSPIE-PVAVHDDUSA-N 2 2 319.405 2.187 20 5 DEBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154424288 402212029 /nfs/dbraw/zinc/21/20/29/402212029.db2.gz OOCLSUOVSKSPIE-PVAVHDDUSA-N 2 2 319.405 2.187 20 5 DEBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154424288 402212031 /nfs/dbraw/zinc/21/20/31/402212031.db2.gz OOCLSUOVSKSPIE-PVAVHDDUSA-N 2 2 319.405 2.187 20 5 DEBDLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178660262 402523074 /nfs/dbraw/zinc/52/30/74/402523074.db2.gz QIVFXVGGJQLRTH-CYBMUJFWSA-N 2 2 307.394 2.356 20 5 DEBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672278 403156026 /nfs/dbraw/zinc/15/60/26/403156026.db2.gz VCKPCFCLERYHEI-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672278 403156028 /nfs/dbraw/zinc/15/60/28/403156028.db2.gz VCKPCFCLERYHEI-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672278 403156030 /nfs/dbraw/zinc/15/60/30/403156030.db2.gz VCKPCFCLERYHEI-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672278 403156031 /nfs/dbraw/zinc/15/60/31/403156031.db2.gz VCKPCFCLERYHEI-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083426 403286581 /nfs/dbraw/zinc/28/65/81/403286581.db2.gz FZOFXAIGVZLPAL-INIZCTEOSA-N 2 2 305.378 2.131 20 5 DEBDLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083426 403286588 /nfs/dbraw/zinc/28/65/88/403286588.db2.gz FZOFXAIGVZLPAL-INIZCTEOSA-N 2 2 305.378 2.131 20 5 DEBDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083426 403286592 /nfs/dbraw/zinc/28/65/92/403286592.db2.gz FZOFXAIGVZLPAL-INIZCTEOSA-N 2 2 305.378 2.131 20 5 DEBDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083426 403286595 /nfs/dbraw/zinc/28/65/95/403286595.db2.gz FZOFXAIGVZLPAL-INIZCTEOSA-N 2 2 305.378 2.131 20 5 DEBDLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127977 404814175 /nfs/dbraw/zinc/81/41/75/404814175.db2.gz NQTNYZWZHYXKGN-DGCLKSJQSA-N 2 2 323.393 2.029 20 5 DEBDLP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415127977 404814177 /nfs/dbraw/zinc/81/41/77/404814177.db2.gz NQTNYZWZHYXKGN-DGCLKSJQSA-N 2 2 323.393 2.029 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000550658280 406606116 /nfs/dbraw/zinc/60/61/16/406606116.db2.gz HJYFNEKHCXWWEY-MRXNPFEDSA-N 2 2 319.405 2.282 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000550658280 406606119 /nfs/dbraw/zinc/60/61/19/406606119.db2.gz HJYFNEKHCXWWEY-MRXNPFEDSA-N 2 2 319.405 2.282 20 5 DEBDLP CC[N@H+](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544761 276132044 /nfs/dbraw/zinc/13/20/44/276132044.db2.gz PQLNZMVTCHHQBF-GJZGRUSLSA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544761 276132045 /nfs/dbraw/zinc/13/20/45/276132045.db2.gz PQLNZMVTCHHQBF-GJZGRUSLSA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000449161198 279348144 /nfs/dbraw/zinc/34/81/44/279348144.db2.gz DREWDCANKYYGJC-CABCVRRESA-N 2 2 321.421 2.084 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609245 625191741 /nfs/dbraw/zinc/19/17/41/625191741.db2.gz YYKYKWJKFDJDBV-QWHCGFSZSA-N 2 2 321.377 2.025 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609245 625191745 /nfs/dbraw/zinc/19/17/45/625191745.db2.gz YYKYKWJKFDJDBV-QWHCGFSZSA-N 2 2 321.377 2.025 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765789563 640818559 /nfs/dbraw/zinc/81/85/59/640818559.db2.gz BAOGPMUHEMQCQR-CWRNSKLLSA-N 2 2 319.405 2.417 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765789563 640818563 /nfs/dbraw/zinc/81/85/63/640818563.db2.gz BAOGPMUHEMQCQR-CWRNSKLLSA-N 2 2 319.405 2.417 20 5 DEBDLP [NH3+]C1CC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000906510948 644267947 /nfs/dbraw/zinc/26/79/47/644267947.db2.gz NZKUONXAGZLJDW-UHFFFAOYSA-N 2 2 304.375 2.298 20 5 DEBDLP O=[N+]([O-])CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848414 694042133 /nfs/dbraw/zinc/04/21/33/694042133.db2.gz SAQLBEZNQKVUBJ-IRXDYDNUSA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848414 694042138 /nfs/dbraw/zinc/04/21/38/694042138.db2.gz SAQLBEZNQKVUBJ-IRXDYDNUSA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929848414 694042141 /nfs/dbraw/zinc/04/21/41/694042141.db2.gz SAQLBEZNQKVUBJ-IRXDYDNUSA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929848414 694042145 /nfs/dbraw/zinc/04/21/45/694042145.db2.gz SAQLBEZNQKVUBJ-IRXDYDNUSA-N 2 2 303.406 2.250 20 5 DEBDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883160090 691444048 /nfs/dbraw/zinc/44/40/48/691444048.db2.gz FSCGTROLWONCIF-OAHLLOKOSA-N 2 2 323.437 2.394 20 5 DEBDLP C[N+](C)(C)CCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224772548 781621227 /nfs/dbraw/zinc/62/12/27/781621227.db2.gz AGDQRPJHTCYIFQ-LBPRGKRZSA-N 2 2 318.894 2.484 20 5 DEBDLP C[N+](C)(C)CCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224772548 781621235 /nfs/dbraw/zinc/62/12/35/781621235.db2.gz AGDQRPJHTCYIFQ-LBPRGKRZSA-N 2 2 318.894 2.484 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170296735 786892351 /nfs/dbraw/zinc/89/23/51/786892351.db2.gz HXIOFYSFXJUSBR-OCCSQVGLSA-N 2 2 307.394 2.218 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170296735 786892362 /nfs/dbraw/zinc/89/23/62/786892362.db2.gz HXIOFYSFXJUSBR-OCCSQVGLSA-N 2 2 307.394 2.218 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001254565342 1143250838 /nfs/dbraw/zinc/25/08/38/1143250838.db2.gz OGFJEXYABCKBTO-YSVLISHTSA-N 2 2 303.406 2.409 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001254565342 1143250848 /nfs/dbraw/zinc/25/08/48/1143250848.db2.gz OGFJEXYABCKBTO-YSVLISHTSA-N 2 2 303.406 2.409 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001254584261 1143267341 /nfs/dbraw/zinc/26/73/41/1143267341.db2.gz GVZDXFCWBUNPJI-HOTGVXAUSA-N 2 2 301.390 2.136 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001254584261 1143267373 /nfs/dbraw/zinc/26/73/73/1143267373.db2.gz GVZDXFCWBUNPJI-HOTGVXAUSA-N 2 2 301.390 2.136 20 5 DEBDLP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210154 213369959 /nfs/dbraw/zinc/36/99/59/213369959.db2.gz NDVRHSSMLLSMMT-HOCLYGCPSA-N 2 2 307.394 2.044 20 5 DEBDLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277210154 213369960 /nfs/dbraw/zinc/36/99/60/213369960.db2.gz NDVRHSSMLLSMMT-HOCLYGCPSA-N 2 2 307.394 2.044 20 5 DEBDLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000237167015 202173983 /nfs/dbraw/zinc/17/39/83/202173983.db2.gz LVIRTYBPEHGDDU-GFCCVEGCSA-N 2 2 304.350 2.226 20 5 DEBDLP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592484895 357885356 /nfs/dbraw/zinc/88/53/56/357885356.db2.gz HCMWATRIVPTZRH-LBPRGKRZSA-N 2 2 320.393 2.043 20 5 DEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000594992588 358375070 /nfs/dbraw/zinc/37/50/70/358375070.db2.gz GZCQHVAFOOHYMP-OAHLLOKOSA-N 2 2 323.368 2.077 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000449161201 240138661 /nfs/dbraw/zinc/13/86/61/240138661.db2.gz DREWDCANKYYGJC-LSDHHAIUSA-N 2 2 321.421 2.084 20 5 DEBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902621 207072075 /nfs/dbraw/zinc/07/20/75/207072075.db2.gz LJOLXKYCXLDZQM-SJORKVTESA-N 2 2 320.437 2.271 20 5 DEBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902621 207072077 /nfs/dbraw/zinc/07/20/77/207072077.db2.gz LJOLXKYCXLDZQM-SJORKVTESA-N 2 2 320.437 2.271 20 5 DEBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751263 145363927 /nfs/dbraw/zinc/36/39/27/145363927.db2.gz HXECMHDWEZLRFA-VBNZEHGJSA-N 2 2 305.378 2.109 20 5 DEBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751263 145363929 /nfs/dbraw/zinc/36/39/29/145363929.db2.gz HXECMHDWEZLRFA-VBNZEHGJSA-N 2 2 305.378 2.109 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357044647 147029407 /nfs/dbraw/zinc/02/94/07/147029407.db2.gz GYTLGMAXZWEOMW-TZMCWYRMSA-N 2 2 305.378 2.035 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357044647 147029410 /nfs/dbraw/zinc/02/94/10/147029410.db2.gz GYTLGMAXZWEOMW-TZMCWYRMSA-N 2 2 305.378 2.035 20 5 DEBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCCC2)n1 ZINC000331724592 403454979 /nfs/dbraw/zinc/45/49/79/403454979.db2.gz LUASNHSOFZBKDN-CABCVRRESA-N 2 2 321.425 2.351 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625818 404270008 /nfs/dbraw/zinc/27/00/08/404270008.db2.gz JTWVCJBORGLECU-AAEUAGOBSA-N 2 2 323.393 2.184 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625818 404270015 /nfs/dbraw/zinc/27/00/15/404270015.db2.gz JTWVCJBORGLECU-AAEUAGOBSA-N 2 2 323.393 2.184 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430561102 405457291 /nfs/dbraw/zinc/45/72/91/405457291.db2.gz JKXRGUAEOWWNAJ-CQSZACIVSA-N 2 2 322.409 2.147 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430561102 405457293 /nfs/dbraw/zinc/45/72/93/405457293.db2.gz JKXRGUAEOWWNAJ-CQSZACIVSA-N 2 2 322.409 2.147 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494413652 405690514 /nfs/dbraw/zinc/69/05/14/405690514.db2.gz TZFIVOVDYKSZCA-CYBMUJFWSA-N 2 2 316.361 2.295 20 5 DEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906932 647379458 /nfs/dbraw/zinc/37/94/58/647379458.db2.gz HQDUWKPZDRADEP-ZYHUDNBSSA-N 2 2 313.785 2.105 20 5 DEBDLP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000920095499 648204334 /nfs/dbraw/zinc/20/43/34/648204334.db2.gz PISPNNOMSMKTHP-QGZVFWFLSA-N 2 2 321.421 2.262 20 5 DEBDLP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000920095499 648204338 /nfs/dbraw/zinc/20/43/38/648204338.db2.gz PISPNNOMSMKTHP-QGZVFWFLSA-N 2 2 321.421 2.262 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000130624253 684191116 /nfs/dbraw/zinc/19/11/16/684191116.db2.gz ZEEIVTSWGAVTPC-UHFFFAOYSA-N 2 2 314.349 2.121 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000130624253 684191117 /nfs/dbraw/zinc/19/11/17/684191117.db2.gz ZEEIVTSWGAVTPC-UHFFFAOYSA-N 2 2 314.349 2.121 20 5 DEBDLP Cc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000872148530 688937527 /nfs/dbraw/zinc/93/75/27/688937527.db2.gz JSBGIIMGNAUCCI-VXGBXAGGSA-N 2 2 317.311 2.472 20 5 DEBDLP Cc1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000872148530 688937529 /nfs/dbraw/zinc/93/75/29/688937529.db2.gz JSBGIIMGNAUCCI-VXGBXAGGSA-N 2 2 317.311 2.472 20 5 DEBDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001351975861 1151642683 /nfs/dbraw/zinc/64/26/83/1151642683.db2.gz WYXCPOSCSDVGFC-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001351975861 1151642692 /nfs/dbraw/zinc/64/26/92/1151642692.db2.gz WYXCPOSCSDVGFC-LBPRGKRZSA-N 2 2 323.393 2.131 20 5 DEBDLP O=[N+]([O-])c1cc(Cl)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155052487 784146466 /nfs/dbraw/zinc/14/64/66/784146466.db2.gz BYWQYYIYRSXQNY-UHFFFAOYSA-N 2 2 307.741 2.296 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052002 785023185 /nfs/dbraw/zinc/02/31/85/785023185.db2.gz FKLMGCRGPMQBSH-RRFJBIMHSA-N 2 2 305.378 2.289 20 5 DEBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052002 785023191 /nfs/dbraw/zinc/02/31/91/785023191.db2.gz FKLMGCRGPMQBSH-RRFJBIMHSA-N 2 2 305.378 2.289 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cc[nH+]c2CC[NH3+])c1F ZINC001173179218 793620685 /nfs/dbraw/zinc/62/06/85/793620685.db2.gz OHTNDCMRCVVNSY-JTQLQIEISA-N 2 2 322.340 2.244 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001461832105 1058720721 /nfs/dbraw/zinc/72/07/21/1058720721.db2.gz SAFQDRKDAURVDE-DAXOMENPSA-N 2 2 319.405 2.423 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001461832105 1058720740 /nfs/dbraw/zinc/72/07/40/1058720740.db2.gz SAFQDRKDAURVDE-DAXOMENPSA-N 2 2 319.405 2.423 20 5 DEBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc3cccnc3c3ncccc23)CC1 ZINC001168740364 1086173874 /nfs/dbraw/zinc/17/38/74/1086173874.db2.gz GASARQSONVZYOR-UHFFFAOYSA-N 2 2 320.400 2.377 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[NH2+]CC23CC3)c1F ZINC001246132895 1140864753 /nfs/dbraw/zinc/86/47/53/1140864753.db2.gz NGAWQEQRBDRCJN-HZMBPMFUSA-N 2 2 323.368 2.015 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246556178 1140960174 /nfs/dbraw/zinc/96/01/74/1140960174.db2.gz DOTYFBCYSLEBJW-WCQYABFASA-N 2 2 313.348 2.442 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246556178 1140960181 /nfs/dbraw/zinc/96/01/81/1140960181.db2.gz DOTYFBCYSLEBJW-WCQYABFASA-N 2 2 313.348 2.442 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC001336093163 1142356989 /nfs/dbraw/zinc/35/69/89/1142356989.db2.gz FAMAUAHMVMZESZ-MRXNPFEDSA-N 2 2 317.389 2.069 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC001336093163 1142356996 /nfs/dbraw/zinc/35/69/96/1142356996.db2.gz FAMAUAHMVMZESZ-MRXNPFEDSA-N 2 2 317.389 2.069 20 5 DEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043055 355616553 /nfs/dbraw/zinc/61/65/53/355616553.db2.gz XBBOWMBNEFTXDR-WFASDCNBSA-N 2 2 305.378 2.217 20 5 DEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043055 355616558 /nfs/dbraw/zinc/61/65/58/355616558.db2.gz XBBOWMBNEFTXDR-WFASDCNBSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043055 355616561 /nfs/dbraw/zinc/61/65/61/355616561.db2.gz XBBOWMBNEFTXDR-WFASDCNBSA-N 2 2 305.378 2.217 20 5 DEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043055 355616565 /nfs/dbraw/zinc/61/65/65/355616565.db2.gz XBBOWMBNEFTXDR-WFASDCNBSA-N 2 2 305.378 2.217 20 5 DEBDLP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000581379985 357177936 /nfs/dbraw/zinc/17/79/36/357177936.db2.gz DEUGYACGANAHCX-BBRMVZONSA-N 2 2 319.405 2.140 20 5 DEBDLP Cc1c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000594500362 358283881 /nfs/dbraw/zinc/28/38/81/358283881.db2.gz POVAJRGXXGEINL-MRXNPFEDSA-N 2 2 319.405 2.246 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000441318263 238017395 /nfs/dbraw/zinc/01/73/95/238017395.db2.gz OOHUHLIJKHXXSO-ZDUSSCGKSA-N 2 2 307.394 2.044 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449258489 240272747 /nfs/dbraw/zinc/27/27/47/240272747.db2.gz NFRPGLUJGYNYKI-GXTWGEPZSA-N 2 2 300.362 2.327 20 5 DEBDLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000271740702 209172461 /nfs/dbraw/zinc/17/24/61/209172461.db2.gz WGHKQBAHZPQNGD-UHFFFAOYSA-N 2 2 304.350 2.322 20 5 DEBDLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000271740702 209172465 /nfs/dbraw/zinc/17/24/65/209172465.db2.gz WGHKQBAHZPQNGD-UHFFFAOYSA-N 2 2 304.350 2.322 20 5 DEBDLP CCC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902619 207070528 /nfs/dbraw/zinc/07/05/28/207070528.db2.gz LJOLXKYCXLDZQM-IRXDYDNUSA-N 2 2 320.437 2.271 20 5 DEBDLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902619 207070533 /nfs/dbraw/zinc/07/05/33/207070533.db2.gz LJOLXKYCXLDZQM-IRXDYDNUSA-N 2 2 320.437 2.271 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357044646 147029396 /nfs/dbraw/zinc/02/93/96/147029396.db2.gz GYTLGMAXZWEOMW-OCCSQVGLSA-N 2 2 305.378 2.035 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357044646 147029397 /nfs/dbraw/zinc/02/93/97/147029397.db2.gz GYTLGMAXZWEOMW-OCCSQVGLSA-N 2 2 305.378 2.035 20 5 DEBDLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439448 403964170 /nfs/dbraw/zinc/96/41/70/403964170.db2.gz YUEKMKBAKIFYQN-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439448 403964174 /nfs/dbraw/zinc/96/41/74/403964174.db2.gz YUEKMKBAKIFYQN-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439448 403964179 /nfs/dbraw/zinc/96/41/79/403964179.db2.gz YUEKMKBAKIFYQN-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439448 403964187 /nfs/dbraw/zinc/96/41/87/403964187.db2.gz YUEKMKBAKIFYQN-QGZVFWFLSA-N 2 2 319.405 2.014 20 5 DEBDLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414869274 404752766 /nfs/dbraw/zinc/75/27/66/404752766.db2.gz FWGMIRGXRZQPCZ-GOEBONIOSA-N 2 2 321.421 2.132 20 5 DEBDLP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430661601 405483840 /nfs/dbraw/zinc/48/38/40/405483840.db2.gz GNGCOCZMBXJBOV-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430661601 405483846 /nfs/dbraw/zinc/48/38/46/405483846.db2.gz GNGCOCZMBXJBOV-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)C1CC1 ZINC000447563698 278210573 /nfs/dbraw/zinc/21/05/73/278210573.db2.gz RTDDDRDLDWKENP-VHDGCEQUSA-N 2 2 321.425 2.347 20 5 DEBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000447563698 278210576 /nfs/dbraw/zinc/21/05/76/278210576.db2.gz RTDDDRDLDWKENP-VHDGCEQUSA-N 2 2 321.425 2.347 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449337595 279382940 /nfs/dbraw/zinc/38/29/40/279382940.db2.gz QIPFWLKGEQPBMJ-YPMHNXCESA-N 2 2 300.362 2.396 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449337595 279382943 /nfs/dbraw/zinc/38/29/43/279382943.db2.gz QIPFWLKGEQPBMJ-YPMHNXCESA-N 2 2 300.362 2.396 20 5 DEBDLP CCO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000922758013 636380975 /nfs/dbraw/zinc/38/09/75/636380975.db2.gz ZVFCMLCKJPMECT-SOIVGHGOSA-N 2 2 307.394 2.164 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000894743846 637192453 /nfs/dbraw/zinc/19/24/53/637192453.db2.gz YTKADYLZUWGDLT-YHWZYXNKSA-N 2 2 321.377 2.024 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000894743846 637192455 /nfs/dbraw/zinc/19/24/55/637192455.db2.gz YTKADYLZUWGDLT-YHWZYXNKSA-N 2 2 321.377 2.024 20 5 DEBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590593 642189438 /nfs/dbraw/zinc/18/94/38/642189438.db2.gz FAQVKZXSGGHPQR-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590593 642189440 /nfs/dbraw/zinc/18/94/40/642189440.db2.gz FAQVKZXSGGHPQR-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590593 642189443 /nfs/dbraw/zinc/18/94/43/642189443.db2.gz FAQVKZXSGGHPQR-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590593 642189444 /nfs/dbraw/zinc/18/94/44/642189444.db2.gz FAQVKZXSGGHPQR-YOEHRIQHSA-N 2 2 321.421 2.292 20 5 DEBDLP Cc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000872148524 688937323 /nfs/dbraw/zinc/93/73/23/688937323.db2.gz JSBGIIMGNAUCCI-NEPJUHHUSA-N 2 2 317.311 2.472 20 5 DEBDLP Cc1c(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000872148524 688937325 /nfs/dbraw/zinc/93/73/25/688937325.db2.gz JSBGIIMGNAUCCI-NEPJUHHUSA-N 2 2 317.311 2.472 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170296731 786892239 /nfs/dbraw/zinc/89/22/39/786892239.db2.gz HXIOFYSFXJUSBR-GXTWGEPZSA-N 2 2 307.394 2.218 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170296731 786892247 /nfs/dbraw/zinc/89/22/47/786892247.db2.gz HXIOFYSFXJUSBR-GXTWGEPZSA-N 2 2 307.394 2.218 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)ncnc2-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057723 797671642 /nfs/dbraw/zinc/67/16/42/797671642.db2.gz NVHCSOXUXDQJLQ-UHFFFAOYSA-N 2 2 324.344 2.191 20 5 DEBDLP Cc1[nH+]ccn1CCNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156009759 797903605 /nfs/dbraw/zinc/90/36/05/797903605.db2.gz BDRKIJSSWLICDB-QPJJXVBHSA-N 2 2 316.365 2.139 20 5 DEBDLP Cc1[nH+]c2c(n1-c1ccc3c(cccc3[N+](=O)[O-])n1)CC[NH2+]CC2 ZINC001165353526 799712172 /nfs/dbraw/zinc/71/21/72/799712172.db2.gz QPIMQNMVQHJKFB-UHFFFAOYSA-N 2 2 323.356 2.325 20 5 DEBDLP Cc1[nH+]c2c(n1-c1nc(Cl)c(C)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165354023 799712697 /nfs/dbraw/zinc/71/26/97/799712697.db2.gz YUOYCHPXXIGGPL-UHFFFAOYSA-N 2 2 321.768 2.134 20 5 DEBDLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001580423064 1075920541 /nfs/dbraw/zinc/92/05/41/1075920541.db2.gz NZKUONXAGZLJDW-PHIMTYICSA-N 2 2 304.375 2.298 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246109249 1140861864 /nfs/dbraw/zinc/86/18/64/1140861864.db2.gz AMQWGUHWWHJUKB-LALPHHSUSA-N 2 2 307.394 2.122 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000278721243 214352146 /nfs/dbraw/zinc/35/21/46/214352146.db2.gz POSOJZLDJKIQDM-NWDGAFQWSA-N 2 2 315.377 2.188 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000278721243 214352147 /nfs/dbraw/zinc/35/21/47/214352147.db2.gz POSOJZLDJKIQDM-NWDGAFQWSA-N 2 2 315.377 2.188 20 5 DEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885428 198264492 /nfs/dbraw/zinc/26/44/92/198264492.db2.gz GZJKJPBTPWKDSY-AWEZNQCLSA-N 2 2 307.394 2.247 20 5 DEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885428 198264494 /nfs/dbraw/zinc/26/44/94/198264494.db2.gz GZJKJPBTPWKDSY-AWEZNQCLSA-N 2 2 307.394 2.247 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885428 198264495 /nfs/dbraw/zinc/26/44/95/198264495.db2.gz GZJKJPBTPWKDSY-AWEZNQCLSA-N 2 2 307.394 2.247 20 5 DEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885428 198264497 /nfs/dbraw/zinc/26/44/97/198264497.db2.gz GZJKJPBTPWKDSY-AWEZNQCLSA-N 2 2 307.394 2.247 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427831 357875393 /nfs/dbraw/zinc/87/53/93/357875393.db2.gz MCNPBDJLNLZANU-ZDUSSCGKSA-N 2 2 323.393 2.171 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427831 357875397 /nfs/dbraw/zinc/87/53/97/357875397.db2.gz MCNPBDJLNLZANU-ZDUSSCGKSA-N 2 2 323.393 2.171 20 5 DEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096352 358388492 /nfs/dbraw/zinc/38/84/92/358388492.db2.gz JTKSLQGGJIMFBR-SOUVJXGZSA-N 2 2 321.425 2.349 20 5 DEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096352 358388498 /nfs/dbraw/zinc/38/84/98/358388498.db2.gz JTKSLQGGJIMFBR-SOUVJXGZSA-N 2 2 321.425 2.349 20 5 DEBDLP Cc1noc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395400 358439638 /nfs/dbraw/zinc/43/96/38/358439638.db2.gz VGRJLEQERNCXLZ-PWSUYJOCSA-N 2 2 305.338 2.171 20 5 DEBDLP Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595395400 358439639 /nfs/dbraw/zinc/43/96/39/358439639.db2.gz VGRJLEQERNCXLZ-PWSUYJOCSA-N 2 2 305.338 2.171 20 5 DEBDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122413354 402077280 /nfs/dbraw/zinc/07/72/80/402077280.db2.gz JQTOILUFGJVGKQ-IUODEOHRSA-N 2 2 307.394 2.423 20 5 DEBDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122413354 402077281 /nfs/dbraw/zinc/07/72/81/402077281.db2.gz JQTOILUFGJVGKQ-IUODEOHRSA-N 2 2 307.394 2.423 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566413495 292236734 /nfs/dbraw/zinc/23/67/34/292236734.db2.gz GPFIGMITQFPTQE-ZDUSSCGKSA-N 2 2 316.361 2.326 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566413495 292236735 /nfs/dbraw/zinc/23/67/35/292236735.db2.gz GPFIGMITQFPTQE-ZDUSSCGKSA-N 2 2 316.361 2.326 20 5 DEBDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000267217702 403025902 /nfs/dbraw/zinc/02/59/02/403025902.db2.gz RVWDAHCHSAGHDA-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000269636658 403152388 /nfs/dbraw/zinc/15/23/88/403152388.db2.gz HPRAUNIZLJGYDF-PBHICJAKSA-N 2 2 319.405 2.046 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000269636658 403152391 /nfs/dbraw/zinc/15/23/91/403152391.db2.gz HPRAUNIZLJGYDF-PBHICJAKSA-N 2 2 319.405 2.046 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427112274 405389653 /nfs/dbraw/zinc/38/96/53/405389653.db2.gz BAKIBYNVHYWFLI-DOMZBBRYSA-N 2 2 305.378 2.177 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427112274 405389655 /nfs/dbraw/zinc/38/96/55/405389655.db2.gz BAKIBYNVHYWFLI-DOMZBBRYSA-N 2 2 305.378 2.177 20 5 DEBDLP COC[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423419618 405800455 /nfs/dbraw/zinc/80/04/55/405800455.db2.gz ISJUPLYEAZPPKV-CJNGLKHVSA-N 2 2 307.394 2.322 20 5 DEBDLP CC[N@H+](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544763 279207519 /nfs/dbraw/zinc/20/75/19/279207519.db2.gz PQLNZMVTCHHQBF-LSDHHAIUSA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544763 279207523 /nfs/dbraw/zinc/20/75/23/279207523.db2.gz PQLNZMVTCHHQBF-LSDHHAIUSA-N 2 2 321.425 2.349 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192826140 536955672 /nfs/dbraw/zinc/95/56/72/536955672.db2.gz UJZQQGVNPZOSGP-AGUYFDCRSA-N 2 2 305.378 2.318 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192826140 536955677 /nfs/dbraw/zinc/95/56/77/536955677.db2.gz UJZQQGVNPZOSGP-AGUYFDCRSA-N 2 2 305.378 2.318 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590973 642189261 /nfs/dbraw/zinc/18/92/61/642189261.db2.gz LAGAKPYAAORNMP-DZGCQCFKSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000776590973 642189263 /nfs/dbraw/zinc/18/92/63/642189263.db2.gz LAGAKPYAAORNMP-DZGCQCFKSA-N 2 2 316.361 2.231 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587496 642189631 /nfs/dbraw/zinc/18/96/31/642189631.db2.gz IUJWNLNOCHTFIE-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587496 642189635 /nfs/dbraw/zinc/18/96/35/642189635.db2.gz IUJWNLNOCHTFIE-PBHICJAKSA-N 2 2 321.421 2.292 20 5 DEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902428009 643035341 /nfs/dbraw/zinc/03/53/41/643035341.db2.gz AGBGVRFEYYJZTI-MCIONIFRSA-N 2 2 307.394 2.055 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000877619064 690168902 /nfs/dbraw/zinc/16/89/02/690168902.db2.gz MZDCCGCTMHEKLA-GMEATFMZSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000877619064 690168904 /nfs/dbraw/zinc/16/89/04/690168904.db2.gz MZDCCGCTMHEKLA-GMEATFMZSA-N 2 2 319.409 2.101 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]CCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC001170326664 786909760 /nfs/dbraw/zinc/90/97/60/786909760.db2.gz BINMQPKRSHOGJD-GFCCVEGCSA-N 2 2 318.377 2.100 20 5 DEBDLP O=[N+]([O-])c1cnc(Cl)cc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053005 797669766 /nfs/dbraw/zinc/66/97/66/797669766.db2.gz JFEPJXAYPRVZKP-UHFFFAOYSA-N 2 2 307.741 2.296 20 5 DEBDLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576271 1140979110 /nfs/dbraw/zinc/97/91/10/1140979110.db2.gz JMPCFKRRSUKNQU-HOTGVXAUSA-N 2 2 307.369 2.215 20 5 DEBDLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576271 1140979127 /nfs/dbraw/zinc/97/91/27/1140979127.db2.gz JMPCFKRRSUKNQU-HOTGVXAUSA-N 2 2 307.369 2.215 20 5 DEBDLP CCc1cc(NC[C@H](C)C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420214413 529505960 /nfs/dbraw/zinc/50/59/60/529505960.db2.gz ISARJAJYYQLWEY-LLVKDONJSA-N 2 2 315.377 2.043 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677205 529898821 /nfs/dbraw/zinc/89/88/21/529898821.db2.gz PBBMCNHWSMYXSM-UHFFFAOYSA-N 2 2 314.349 2.190 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677205 529898822 /nfs/dbraw/zinc/89/88/22/529898822.db2.gz PBBMCNHWSMYXSM-UHFFFAOYSA-N 2 2 314.349 2.190 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000595032689 358381275 /nfs/dbraw/zinc/38/12/75/358381275.db2.gz LBZVWKCWTZFITA-NEPJUHHUSA-N 2 2 316.361 2.466 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000268876994 207046072 /nfs/dbraw/zinc/04/60/72/207046072.db2.gz WTARXWNSHUAMDN-HIFRSBDPSA-N 2 2 307.394 2.011 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000268876998 207046743 /nfs/dbraw/zinc/04/67/43/207046743.db2.gz WTARXWNSHUAMDN-UKRRQHHQSA-N 2 2 307.394 2.011 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566413492 292236548 /nfs/dbraw/zinc/23/65/48/292236548.db2.gz GPFIGMITQFPTQE-CYBMUJFWSA-N 2 2 316.361 2.326 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566413492 292236549 /nfs/dbraw/zinc/23/65/49/292236549.db2.gz GPFIGMITQFPTQE-CYBMUJFWSA-N 2 2 316.361 2.326 20 5 DEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561237 405457563 /nfs/dbraw/zinc/45/75/63/405457563.db2.gz ZIUAMYPRIHULJW-WDEREUQCSA-N 2 2 304.350 2.295 20 5 DEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561237 405457565 /nfs/dbraw/zinc/45/75/65/405457565.db2.gz ZIUAMYPRIHULJW-WDEREUQCSA-N 2 2 304.350 2.295 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593916 405463907 /nfs/dbraw/zinc/46/39/07/405463907.db2.gz PWDSDVHBFKCUKN-SWLSCSKDSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593916 405463910 /nfs/dbraw/zinc/46/39/10/405463910.db2.gz PWDSDVHBFKCUKN-SWLSCSKDSA-N 2 2 322.409 2.227 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430604012 405465504 /nfs/dbraw/zinc/46/55/04/405465504.db2.gz ZWVGFBAOHLDMDL-UHFFFAOYSA-N 2 2 319.405 2.438 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584121704 405829678 /nfs/dbraw/zinc/82/96/78/405829678.db2.gz VMQUSYNVDCNYKU-LBPRGKRZSA-N 2 2 301.350 2.201 20 5 DEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423492393 405825150 /nfs/dbraw/zinc/82/51/50/405825150.db2.gz MVXVYMBOLACOFZ-TZMCWYRMSA-N 2 2 323.393 2.023 20 5 DEBDLP CC(C)c1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415111184 278035790 /nfs/dbraw/zinc/03/57/90/278035790.db2.gz ONBHKRICPIUDTA-CQSZACIVSA-N 2 2 307.394 2.268 20 5 DEBDLP CC(C)c1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415111184 278035792 /nfs/dbraw/zinc/03/57/92/278035792.db2.gz ONBHKRICPIUDTA-CQSZACIVSA-N 2 2 307.394 2.268 20 5 DEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246717993 526083779 /nfs/dbraw/zinc/08/37/79/526083779.db2.gz LMZPGYPSNWFNTB-CABCVRRESA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246717993 526083786 /nfs/dbraw/zinc/08/37/86/526083786.db2.gz LMZPGYPSNWFNTB-CABCVRRESA-N 2 2 319.405 2.310 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609243 625191909 /nfs/dbraw/zinc/19/19/09/625191909.db2.gz YYKYKWJKFDJDBV-CHWSQXEVSA-N 2 2 321.377 2.025 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609243 625191911 /nfs/dbraw/zinc/19/19/11/625191911.db2.gz YYKYKWJKFDJDBV-CHWSQXEVSA-N 2 2 321.377 2.025 20 5 DEBDLP CCO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000922758014 636381117 /nfs/dbraw/zinc/38/11/17/636381117.db2.gz ZVFCMLCKJPMECT-VIHMKRCTSA-N 2 2 307.394 2.164 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517554 637226165 /nfs/dbraw/zinc/22/61/65/637226165.db2.gz FBNRUCLBIGICPN-GXTWGEPZSA-N 2 2 305.378 2.035 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517554 637226166 /nfs/dbraw/zinc/22/61/66/637226166.db2.gz FBNRUCLBIGICPN-GXTWGEPZSA-N 2 2 305.378 2.035 20 5 DEBDLP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000902430620 643036456 /nfs/dbraw/zinc/03/64/56/643036456.db2.gz PEIPOKZHOYLOND-JLZZUVOBSA-N 2 2 319.405 2.055 20 5 DEBDLP COc1cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000903151502 643274633 /nfs/dbraw/zinc/27/46/33/643274633.db2.gz GENPQSUJJJDQKW-YPMHNXCESA-N 2 2 316.361 2.466 20 5 DEBDLP CCCC[N@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000151800955 647020943 /nfs/dbraw/zinc/02/09/43/647020943.db2.gz CTXAQIJWWVWXMZ-UHFFFAOYSA-N 2 2 309.414 2.193 20 5 DEBDLP CCCC[N@@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000151800955 647020945 /nfs/dbraw/zinc/02/09/45/647020945.db2.gz CTXAQIJWWVWXMZ-UHFFFAOYSA-N 2 2 309.414 2.193 20 5 DEBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872149016 688937429 /nfs/dbraw/zinc/93/74/29/688937429.db2.gz SEMJNDQLYMLTML-CMPLNLGQSA-N 2 2 303.284 2.164 20 5 DEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872149016 688937434 /nfs/dbraw/zinc/93/74/34/688937434.db2.gz SEMJNDQLYMLTML-CMPLNLGQSA-N 2 2 303.284 2.164 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001169054594 785024579 /nfs/dbraw/zinc/02/45/79/785024579.db2.gz MRXHAEWYIRPPLN-TZMCWYRMSA-N 2 2 322.384 2.225 20 5 DEBDLP Cc1ccc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001169054649 785024607 /nfs/dbraw/zinc/02/46/07/785024607.db2.gz NEDCNYYIDOEBCB-GDBMZVCRSA-N 2 2 318.421 2.394 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)c1F ZINC001173177582 793619147 /nfs/dbraw/zinc/61/91/47/793619147.db2.gz VNPSTYPBOHXUNE-QWRGUYRKSA-N 2 2 313.373 2.213 20 5 DEBDLP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1O ZINC001560358684 1075138659 /nfs/dbraw/zinc/13/86/59/1075138659.db2.gz SLOMWRQJJHVVME-STQMWFEESA-N 2 2 323.393 2.271 20 5 DEBDLP [NH3+]Cc1cccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001580342670 1075906658 /nfs/dbraw/zinc/90/66/58/1075906658.db2.gz BBLNJOOBGLUZPS-UHFFFAOYSA-N 2 2 313.357 2.317 20 5 DEBDLP [NH3+][C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346092920 146014479 /nfs/dbraw/zinc/01/44/79/146014479.db2.gz YSCPUJMETBBCPA-CYBMUJFWSA-N 2 2 316.361 2.215 20 5 DEBDLP [NH3+][C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346092920 146014482 /nfs/dbraw/zinc/01/44/82/146014482.db2.gz YSCPUJMETBBCPA-CYBMUJFWSA-N 2 2 316.361 2.215 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000349183366 146357189 /nfs/dbraw/zinc/35/71/89/146357189.db2.gz GQHPKBPEUWLOGE-GFCCVEGCSA-N 2 2 304.325 2.457 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000349183366 146357190 /nfs/dbraw/zinc/35/71/90/146357190.db2.gz GQHPKBPEUWLOGE-GFCCVEGCSA-N 2 2 304.325 2.457 20 5 DEBDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000119135576 401928146 /nfs/dbraw/zinc/92/81/46/401928146.db2.gz UZFIUNIMXDQFCI-OAHLLOKOSA-N 2 2 318.421 2.201 20 5 DEBDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000119135576 401928149 /nfs/dbraw/zinc/92/81/49/401928149.db2.gz UZFIUNIMXDQFCI-OAHLLOKOSA-N 2 2 318.421 2.201 20 5 DEBDLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154518829 402216568 /nfs/dbraw/zinc/21/65/68/402216568.db2.gz VLBFXHGTJRFSCB-MRXNPFEDSA-N 2 2 307.394 2.091 20 5 DEBDLP Cc1ccc(NCC[NH+]2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000267242868 403028838 /nfs/dbraw/zinc/02/88/38/403028838.db2.gz XYUGEMXKRHIIQV-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352503158 404419653 /nfs/dbraw/zinc/41/96/53/404419653.db2.gz CEWUEKIFFWVZSL-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352503158 404419656 /nfs/dbraw/zinc/41/96/56/404419656.db2.gz CEWUEKIFFWVZSL-ZDUSSCGKSA-N 2 2 320.393 2.045 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588690 405462254 /nfs/dbraw/zinc/46/22/54/405462254.db2.gz AFJJRSIMIGSDSP-STQMWFEESA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430588690 405462257 /nfs/dbraw/zinc/46/22/57/405462257.db2.gz AFJJRSIMIGSDSP-STQMWFEESA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593918 405463544 /nfs/dbraw/zinc/46/35/44/405463544.db2.gz PWDSDVHBFKCUKN-WFASDCNBSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000430593918 405463548 /nfs/dbraw/zinc/46/35/48/405463548.db2.gz PWDSDVHBFKCUKN-WFASDCNBSA-N 2 2 322.409 2.227 20 5 DEBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000432371494 405756068 /nfs/dbraw/zinc/75/60/68/405756068.db2.gz ZOCBKQQRACCGNF-CQSZACIVSA-N 2 2 307.394 2.185 20 5 DEBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000432371494 405756074 /nfs/dbraw/zinc/75/60/74/405756074.db2.gz ZOCBKQQRACCGNF-CQSZACIVSA-N 2 2 307.394 2.185 20 5 DEBDLP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088468 536756928 /nfs/dbraw/zinc/75/69/28/536756928.db2.gz FDCLIOSDEKXFJZ-NEPJUHHUSA-N 2 2 323.393 2.171 20 5 DEBDLP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347088468 536756929 /nfs/dbraw/zinc/75/69/29/536756929.db2.gz FDCLIOSDEKXFJZ-NEPJUHHUSA-N 2 2 323.393 2.171 20 5 DEBDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618374 647036181 /nfs/dbraw/zinc/03/61/81/647036181.db2.gz JZMANPMJTLURNM-PWSUYJOCSA-N 2 2 301.350 2.039 20 5 DEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866341601 687541963 /nfs/dbraw/zinc/54/19/63/687541963.db2.gz ANOMOARLXSXCRV-FZMZJTMJSA-N 2 2 318.352 2.466 20 5 DEBDLP Cc1c(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873009927 689140112 /nfs/dbraw/zinc/14/01/12/689140112.db2.gz XCLXWWCYYIDNAO-KBPBESRZSA-N 2 2 321.421 2.492 20 5 DEBDLP CC[NH+](CC)CCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893322393 692965921 /nfs/dbraw/zinc/96/59/21/692965921.db2.gz ROHFJDLPBSWPLH-UHFFFAOYSA-N 2 2 311.382 2.131 20 5 DEBDLP Cc1cc(C)c([N+](=O)[O-])c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057362 797671959 /nfs/dbraw/zinc/67/19/59/797671959.db2.gz FLOGVMWYQBRJKC-UHFFFAOYSA-N 2 2 301.350 2.259 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1F ZINC001246130063 1140864279 /nfs/dbraw/zinc/86/42/79/1140864279.db2.gz RPRPJZSIXNKSGW-QWRGUYRKSA-N 2 2 311.357 2.015 20 5 DEBDLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000276980991 213216284 /nfs/dbraw/zinc/21/62/84/213216284.db2.gz YIKRIGMRQXKXNS-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000276980991 213216287 /nfs/dbraw/zinc/21/62/87/213216287.db2.gz YIKRIGMRQXKXNS-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000266513153 402969655 /nfs/dbraw/zinc/96/96/55/402969655.db2.gz FGMURFFSTDZACW-AWEZNQCLSA-N 2 2 321.421 2.434 20 5 DEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000266513153 402969657 /nfs/dbraw/zinc/96/96/57/402969657.db2.gz FGMURFFSTDZACW-AWEZNQCLSA-N 2 2 321.421 2.434 20 5 DEBDLP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290075548 404030631 /nfs/dbraw/zinc/03/06/31/404030631.db2.gz ULWYQWPQIZUHQP-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290075548 404030635 /nfs/dbraw/zinc/03/06/35/404030635.db2.gz ULWYQWPQIZUHQP-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290075548 404030638 /nfs/dbraw/zinc/03/06/38/404030638.db2.gz ULWYQWPQIZUHQP-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290075548 404030642 /nfs/dbraw/zinc/03/06/42/404030642.db2.gz ULWYQWPQIZUHQP-KRWDZBQOSA-N 2 2 321.421 2.260 20 5 DEBDLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414869279 404752787 /nfs/dbraw/zinc/75/27/87/404752787.db2.gz FWGMIRGXRZQPCZ-ZBFHGGJFSA-N 2 2 321.421 2.132 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415122812 404812261 /nfs/dbraw/zinc/81/22/61/404812261.db2.gz ISAGQYVLOJPRTA-TZMCWYRMSA-N 2 2 307.394 2.410 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415122812 404812265 /nfs/dbraw/zinc/81/22/65/404812265.db2.gz ISAGQYVLOJPRTA-TZMCWYRMSA-N 2 2 307.394 2.410 20 5 DEBDLP Cc1cc(N2CCC([NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420146425 405290376 /nfs/dbraw/zinc/29/03/76/405290376.db2.gz QUEWRNHWAKZVGO-UHFFFAOYSA-N 2 2 313.361 2.288 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000441318262 405334721 /nfs/dbraw/zinc/33/47/21/405334721.db2.gz OOHUHLIJKHXXSO-CYBMUJFWSA-N 2 2 307.394 2.044 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000441318262 405334725 /nfs/dbraw/zinc/33/47/25/405334725.db2.gz OOHUHLIJKHXXSO-CYBMUJFWSA-N 2 2 307.394 2.044 20 5 DEBDLP C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000420410117 405346720 /nfs/dbraw/zinc/34/67/20/405346720.db2.gz QZZVWDXVGHJFBA-WDEREUQCSA-N 2 2 304.350 2.153 20 5 DEBDLP C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000420410117 405346723 /nfs/dbraw/zinc/34/67/23/405346723.db2.gz QZZVWDXVGHJFBA-WDEREUQCSA-N 2 2 304.350 2.153 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611550 405466384 /nfs/dbraw/zinc/46/63/84/405466384.db2.gz OMZHCHNMTHMTKC-JSGCOSHPSA-N 2 2 323.393 2.184 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611550 405466385 /nfs/dbraw/zinc/46/63/85/405466385.db2.gz OMZHCHNMTHMTKC-JSGCOSHPSA-N 2 2 323.393 2.184 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000533865803 406164094 /nfs/dbraw/zinc/16/40/94/406164094.db2.gz BATSZHNCARAMKZ-CQSZACIVSA-N 2 2 300.362 2.360 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000533865803 406164097 /nfs/dbraw/zinc/16/40/97/406164097.db2.gz BATSZHNCARAMKZ-CQSZACIVSA-N 2 2 300.362 2.360 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967393 537705246 /nfs/dbraw/zinc/70/52/46/537705246.db2.gz GKXXMEFRHXVJFF-PGUXBMHVSA-N 2 2 304.394 2.310 20 5 DEBDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967393 537705248 /nfs/dbraw/zinc/70/52/48/537705248.db2.gz GKXXMEFRHXVJFF-PGUXBMHVSA-N 2 2 304.394 2.310 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894456960 637048144 /nfs/dbraw/zinc/04/81/44/637048144.db2.gz RZUKTYTWUFLXDY-GFCCVEGCSA-N 2 2 323.393 2.129 20 5 DEBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894456960 637048145 /nfs/dbraw/zinc/04/81/45/637048145.db2.gz RZUKTYTWUFLXDY-GFCCVEGCSA-N 2 2 323.393 2.129 20 5 DEBDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588672 642189703 /nfs/dbraw/zinc/18/97/03/642189703.db2.gz NMVROUYFAGAFMI-DOTOQJQBSA-N 2 2 321.421 2.434 20 5 DEBDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588672 642189706 /nfs/dbraw/zinc/18/97/06/642189706.db2.gz NMVROUYFAGAFMI-DOTOQJQBSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588672 642189710 /nfs/dbraw/zinc/18/97/10/642189710.db2.gz NMVROUYFAGAFMI-DOTOQJQBSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588672 642189713 /nfs/dbraw/zinc/18/97/13/642189713.db2.gz NMVROUYFAGAFMI-DOTOQJQBSA-N 2 2 321.421 2.434 20 5 DEBDLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000903810584 643471198 /nfs/dbraw/zinc/47/11/98/643471198.db2.gz FIBPLUWIXCBIAI-CQSZACIVSA-N 2 2 304.394 2.473 20 5 DEBDLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000903810584 643471200 /nfs/dbraw/zinc/47/12/00/643471200.db2.gz FIBPLUWIXCBIAI-CQSZACIVSA-N 2 2 304.394 2.473 20 5 DEBDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628132 647036958 /nfs/dbraw/zinc/03/69/58/647036958.db2.gz RUTTVEOSHCIMEV-GXSJLCMTSA-N 2 2 301.350 2.108 20 5 DEBDLP O=[N+]([O-])CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848412 694041887 /nfs/dbraw/zinc/04/18/87/694041887.db2.gz SAQLBEZNQKVUBJ-IAGOWNOFSA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848412 694041891 /nfs/dbraw/zinc/04/18/91/694041891.db2.gz SAQLBEZNQKVUBJ-IAGOWNOFSA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929848412 694041897 /nfs/dbraw/zinc/04/18/97/694041897.db2.gz SAQLBEZNQKVUBJ-IAGOWNOFSA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929848412 694041901 /nfs/dbraw/zinc/04/19/01/694041901.db2.gz SAQLBEZNQKVUBJ-IAGOWNOFSA-N 2 2 303.406 2.250 20 5 DEBDLP CC(C)C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000876924497 689974260 /nfs/dbraw/zinc/97/42/60/689974260.db2.gz NUYKJWAAZMDJMV-RUXDESIVSA-N 2 2 309.414 2.061 20 5 DEBDLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880474261 690907018 /nfs/dbraw/zinc/90/70/18/690907018.db2.gz WQYPLZARMILOGM-INIZCTEOSA-N 2 2 319.405 2.188 20 5 DEBDLP Cc1[nH+]c2c(n1-c1ccc3ccc([N+](=O)[O-])cc3n1)CC[NH2+]CC2 ZINC001165353532 799712243 /nfs/dbraw/zinc/71/22/43/799712243.db2.gz QRTGZLFTJAZHCB-UHFFFAOYSA-N 2 2 323.356 2.325 20 5 DEBDLP Cc1[nH+]c2c(n1-c1nc3ccccc3cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165354707 799713537 /nfs/dbraw/zinc/71/35/37/799713537.db2.gz HLGIWBICDKWLPK-UHFFFAOYSA-N 2 2 323.356 2.325 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246556180 1140957419 /nfs/dbraw/zinc/95/74/19/1140957419.db2.gz DOTYFBCYSLEBJW-YPMHNXCESA-N 2 2 313.348 2.442 20 5 DEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246556180 1140957436 /nfs/dbraw/zinc/95/74/36/1140957436.db2.gz DOTYFBCYSLEBJW-YPMHNXCESA-N 2 2 313.348 2.442 20 5 DEBDLP COCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928133 1141127012 /nfs/dbraw/zinc/12/70/12/1141127012.db2.gz JEUUYSYZILYOBL-WMLDXEAASA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928133 1141127030 /nfs/dbraw/zinc/12/70/30/1141127030.db2.gz JEUUYSYZILYOBL-WMLDXEAASA-N 2 2 321.421 2.226 20 5 DEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859358 191243388 /nfs/dbraw/zinc/24/33/88/191243388.db2.gz WBNPTWXDHAXPFS-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859358 191243390 /nfs/dbraw/zinc/24/33/90/191243390.db2.gz WBNPTWXDHAXPFS-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859358 191243391 /nfs/dbraw/zinc/24/33/91/191243391.db2.gz WBNPTWXDHAXPFS-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859358 191243393 /nfs/dbraw/zinc/24/33/93/191243393.db2.gz WBNPTWXDHAXPFS-CQSZACIVSA-N 2 2 307.394 2.377 20 5 DEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000595032693 358381460 /nfs/dbraw/zinc/38/14/60/358381460.db2.gz LBZVWKCWTZFITA-RYUDHWBXSA-N 2 2 316.361 2.466 20 5 DEBDLP Cn1cc[nH+]c1[C@H](C1CC1)N(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000602659159 360479891 /nfs/dbraw/zinc/47/98/91/360479891.db2.gz JCNXQBRXNJLZDC-HNNXBMFYSA-N 2 2 315.377 2.245 20 5 DEBDLP Cc1cc(NCCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508415 360912121 /nfs/dbraw/zinc/91/21/21/360912121.db2.gz BGSDFDLQYYYZPP-UHFFFAOYSA-N 2 2 315.377 2.146 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000347185892 146206516 /nfs/dbraw/zinc/20/65/16/146206516.db2.gz YUUYXNRGUGWIAX-ZDUSSCGKSA-N 2 2 307.394 2.425 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000347185892 146206518 /nfs/dbraw/zinc/20/65/18/146206518.db2.gz YUUYXNRGUGWIAX-ZDUSSCGKSA-N 2 2 307.394 2.425 20 5 DEBDLP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541466 404445619 /nfs/dbraw/zinc/44/56/19/404445619.db2.gz YEPROEJETMFFIH-INIZCTEOSA-N 2 2 305.378 2.179 20 5 DEBDLP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541466 404445624 /nfs/dbraw/zinc/44/56/24/404445624.db2.gz YEPROEJETMFFIH-INIZCTEOSA-N 2 2 305.378 2.179 20 5 DEBDLP C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C[NH3+] ZINC000420410116 405346489 /nfs/dbraw/zinc/34/64/89/405346489.db2.gz QZZVWDXVGHJFBA-QWRGUYRKSA-N 2 2 304.350 2.153 20 5 DEBDLP C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C[NH3+] ZINC000420410116 405346490 /nfs/dbraw/zinc/34/64/90/405346490.db2.gz QZZVWDXVGHJFBA-QWRGUYRKSA-N 2 2 304.350 2.153 20 5 DEBDLP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423498035 405828302 /nfs/dbraw/zinc/82/83/02/405828302.db2.gz ZSUULRWZWPPSNJ-XJKSGUPXSA-N 2 2 319.405 2.285 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422918820 230278237 /nfs/dbraw/zinc/27/82/37/230278237.db2.gz IIGWVSQZXFUKMW-VNHYZAJKSA-N 2 2 307.394 2.321 20 5 DEBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000413266253 275038746 /nfs/dbraw/zinc/03/87/46/275038746.db2.gz OEYKRJDNDXVJNI-UHFFFAOYSA-N 2 2 324.344 2.193 20 5 DEBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344186 277184253 /nfs/dbraw/zinc/18/42/53/277184253.db2.gz PQQAQCNOHAKLOE-SJORKVTESA-N 2 2 319.405 2.019 20 5 DEBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344186 277184255 /nfs/dbraw/zinc/18/42/55/277184255.db2.gz PQQAQCNOHAKLOE-SJORKVTESA-N 2 2 319.405 2.019 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359277059 535021475 /nfs/dbraw/zinc/02/14/75/535021475.db2.gz MVZCADLICZTBOD-KBPBESRZSA-N 2 2 305.378 2.033 20 5 DEBDLP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000895296860 637901253 /nfs/dbraw/zinc/90/12/53/637901253.db2.gz GNXJMSWBIYFCLL-LLVKDONJSA-N 2 2 311.382 2.042 20 5 DEBDLP Cc1nn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000779866053 642552251 /nfs/dbraw/zinc/55/22/51/642552251.db2.gz SAFZIIPAXBLHHO-UHFFFAOYSA-N 2 2 309.414 2.109 20 5 DEBDLP Cc1nn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000779866053 642552256 /nfs/dbraw/zinc/55/22/56/642552256.db2.gz SAFZIIPAXBLHHO-UHFFFAOYSA-N 2 2 309.414 2.109 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC001168965685 784988913 /nfs/dbraw/zinc/98/89/13/784988913.db2.gz BYJOIAUOHZWFTN-DOTOQJQBSA-N 2 2 303.406 2.153 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001254609899 1143282346 /nfs/dbraw/zinc/28/23/46/1143282346.db2.gz FCPLOOKSHXMYQB-KRWDZBQOSA-N 2 2 301.390 2.232 20 5 DEBDLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595511406 358470021 /nfs/dbraw/zinc/47/00/21/358470021.db2.gz JRLJOVBQWUGZAD-UHFFFAOYSA-N 2 2 321.421 2.167 20 5 DEBDLP C[NH+](C)CCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092380903 355631000 /nfs/dbraw/zinc/63/10/00/355631000.db2.gz CCLPHZLSCCCQHF-UHFFFAOYSA-N 2 2 307.394 2.464 20 5 DEBDLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000598912199 359355185 /nfs/dbraw/zinc/35/51/85/359355185.db2.gz ODLQTLNSFXVGTG-WDEREUQCSA-N 2 2 304.350 2.308 20 5 DEBDLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000598912199 359355188 /nfs/dbraw/zinc/35/51/88/359355188.db2.gz ODLQTLNSFXVGTG-WDEREUQCSA-N 2 2 304.350 2.308 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000602623309 360461133 /nfs/dbraw/zinc/46/11/33/360461133.db2.gz OMHWJWYDGQEBCY-SNVBAGLBSA-N 2 2 313.317 2.037 20 5 DEBDLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750934 404348018 /nfs/dbraw/zinc/34/80/18/404348018.db2.gz OTDLCBYYXFZLMC-HOCLYGCPSA-N 2 2 321.421 2.226 20 5 DEBDLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000344750934 404348025 /nfs/dbraw/zinc/34/80/25/404348025.db2.gz OTDLCBYYXFZLMC-HOCLYGCPSA-N 2 2 321.421 2.226 20 5 DEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415066466 404799678 /nfs/dbraw/zinc/79/96/78/404799678.db2.gz ISGQZJVHISCSRN-UHFFFAOYSA-N 2 2 315.320 2.428 20 5 DEBDLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420362413 405332523 /nfs/dbraw/zinc/33/25/23/405332523.db2.gz OESJKBRKFQTKGZ-AWEZNQCLSA-N 2 2 320.393 2.031 20 5 DEBDLP COC[C@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423419621 405799922 /nfs/dbraw/zinc/79/99/22/405799922.db2.gz ISJUPLYEAZPPKV-XJKSGUPXSA-N 2 2 307.394 2.322 20 5 DEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423492391 405825141 /nfs/dbraw/zinc/82/51/41/405825141.db2.gz MVXVYMBOLACOFZ-JSGCOSHPSA-N 2 2 323.393 2.023 20 5 DEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129358192 196041748 /nfs/dbraw/zinc/04/17/48/196041748.db2.gz LMZPGYPSNWFNTB-HUUCEWRRSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129358192 196041749 /nfs/dbraw/zinc/04/17/49/196041749.db2.gz LMZPGYPSNWFNTB-HUUCEWRRSA-N 2 2 319.405 2.310 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000877478121 690125592 /nfs/dbraw/zinc/12/55/92/690125592.db2.gz AMIYYDQAOIKAKN-BLZCZZARSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000877478121 690125596 /nfs/dbraw/zinc/12/55/96/690125596.db2.gz AMIYYDQAOIKAKN-BLZCZZARSA-N 2 2 319.409 2.101 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883458876 691517204 /nfs/dbraw/zinc/51/72/04/691517204.db2.gz ZWCNQTMMXUICKU-UHFFFAOYSA-N 2 2 305.378 2.192 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883458876 691517205 /nfs/dbraw/zinc/51/72/05/691517205.db2.gz ZWCNQTMMXUICKU-UHFFFAOYSA-N 2 2 305.378 2.192 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001168985574 784985786 /nfs/dbraw/zinc/98/57/86/784985786.db2.gz TVDZWOSUATWUDL-HOTGVXAUSA-N 2 2 318.421 2.333 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328790 360009108 /nfs/dbraw/zinc/00/91/08/360009108.db2.gz ZFKREBQKPUDSPJ-ZDUSSCGKSA-N 2 2 307.394 2.011 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328789 360009797 /nfs/dbraw/zinc/00/97/97/360009797.db2.gz ZFKREBQKPUDSPJ-CYBMUJFWSA-N 2 2 307.394 2.011 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000602516780 360413829 /nfs/dbraw/zinc/41/38/29/360413829.db2.gz RDJISQLHPNHPTF-RYUDHWBXSA-N 2 2 316.361 2.452 20 5 DEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000602516780 360413832 /nfs/dbraw/zinc/41/38/32/360413832.db2.gz RDJISQLHPNHPTF-RYUDHWBXSA-N 2 2 316.361 2.452 20 5 DEBDLP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159499535 197358561 /nfs/dbraw/zinc/35/85/61/197358561.db2.gz IBSZVVCFIFRTNA-UHFFFAOYSA-N 2 2 316.199 2.399 20 5 DEBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159499535 197358563 /nfs/dbraw/zinc/35/85/63/197358563.db2.gz IBSZVVCFIFRTNA-UHFFFAOYSA-N 2 2 316.199 2.399 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000542519064 285230989 /nfs/dbraw/zinc/23/09/89/285230989.db2.gz GKWUSAFYPZCUMM-LBPRGKRZSA-N 2 2 316.361 2.326 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000542519064 285230996 /nfs/dbraw/zinc/23/09/96/285230996.db2.gz GKWUSAFYPZCUMM-LBPRGKRZSA-N 2 2 316.361 2.326 20 5 DEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694068 146125506 /nfs/dbraw/zinc/12/55/06/146125506.db2.gz RRXVOQXPHZDLGU-UWVGGRQHSA-N 2 2 315.320 2.365 20 5 DEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694068 146125507 /nfs/dbraw/zinc/12/55/07/146125507.db2.gz RRXVOQXPHZDLGU-UWVGGRQHSA-N 2 2 315.320 2.365 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253979 147101944 /nfs/dbraw/zinc/10/19/44/147101944.db2.gz PICYVGXMECJQCT-CVEARBPZSA-N 2 2 307.394 2.092 20 5 DEBDLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253979 147101946 /nfs/dbraw/zinc/10/19/46/147101946.db2.gz PICYVGXMECJQCT-CVEARBPZSA-N 2 2 307.394 2.092 20 5 DEBDLP O=[N+]([O-])c1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182617893 402704026 /nfs/dbraw/zinc/70/40/26/402704026.db2.gz DRRLPQIFANYCIQ-UHFFFAOYSA-N 2 2 315.377 2.004 20 5 DEBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000332248038 403528679 /nfs/dbraw/zinc/52/86/79/403528679.db2.gz SXRBASVJJQEHNE-NEPJUHHUSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000332248038 403528684 /nfs/dbraw/zinc/52/86/84/403528684.db2.gz SXRBASVJJQEHNE-NEPJUHHUSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248038 403528686 /nfs/dbraw/zinc/52/86/86/403528686.db2.gz SXRBASVJJQEHNE-NEPJUHHUSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248038 403528690 /nfs/dbraw/zinc/52/86/90/403528690.db2.gz SXRBASVJJQEHNE-NEPJUHHUSA-N 2 2 317.393 2.386 20 5 DEBDLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423417881 405800411 /nfs/dbraw/zinc/80/04/11/405800411.db2.gz HKFUBPZZLFLKEY-CVEARBPZSA-N 2 2 307.394 2.404 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000556083946 406860967 /nfs/dbraw/zinc/86/09/67/406860967.db2.gz RDZJERRGINJGKP-INIZCTEOSA-N 2 2 319.405 2.282 20 5 DEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000556083946 406860972 /nfs/dbraw/zinc/86/09/72/406860972.db2.gz RDZJERRGINJGKP-INIZCTEOSA-N 2 2 319.405 2.282 20 5 DEBDLP O=[N+]([O-])c1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351551642 425039379 /nfs/dbraw/zinc/03/93/79/425039379.db2.gz ZFHJTOXLEAUYFI-UHFFFAOYSA-N 2 2 309.329 2.847 20 5 DEBDLP COc1c(O)ccc(C[N@H+](C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000894476674 637062384 /nfs/dbraw/zinc/06/23/84/637062384.db2.gz SGZAQNSDRQYYLZ-UHFFFAOYSA-N 2 2 320.349 2.028 20 5 DEBDLP COc1c(O)ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000894476674 637062387 /nfs/dbraw/zinc/06/23/87/637062387.db2.gz SGZAQNSDRQYYLZ-UHFFFAOYSA-N 2 2 320.349 2.028 20 5 DEBDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209925 641877149 /nfs/dbraw/zinc/87/71/49/641877149.db2.gz PQYQDDBPCJDLHR-KFWWJZLASA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209925 641877151 /nfs/dbraw/zinc/87/71/51/641877151.db2.gz PQYQDDBPCJDLHR-KFWWJZLASA-N 2 2 321.425 2.349 20 5 DEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906931 647377992 /nfs/dbraw/zinc/37/79/92/647377992.db2.gz HQDUWKPZDRADEP-PWSUYJOCSA-N 2 2 313.785 2.105 20 5 DEBDLP O=[N+]([O-])c1cnn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000155067051 648175129 /nfs/dbraw/zinc/17/51/29/648175129.db2.gz RKHKRWHBLUCTTJ-UHFFFAOYSA-N 2 2 321.425 2.337 20 5 DEBDLP O=[N+]([O-])CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848408 694042336 /nfs/dbraw/zinc/04/23/36/694042336.db2.gz SAQLBEZNQKVUBJ-DLBZAZTESA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929848408 694042340 /nfs/dbraw/zinc/04/23/40/694042340.db2.gz SAQLBEZNQKVUBJ-DLBZAZTESA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929848408 694042345 /nfs/dbraw/zinc/04/23/45/694042345.db2.gz SAQLBEZNQKVUBJ-DLBZAZTESA-N 2 2 303.406 2.250 20 5 DEBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929848408 694042349 /nfs/dbraw/zinc/04/23/49/694042349.db2.gz SAQLBEZNQKVUBJ-DLBZAZTESA-N 2 2 303.406 2.250 20 5 DEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866341602 687541548 /nfs/dbraw/zinc/54/15/48/687541548.db2.gz ANOMOARLXSXCRV-RISCZKNCSA-N 2 2 318.352 2.466 20 5 DEBDLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001348514997 1151165651 /nfs/dbraw/zinc/16/56/51/1151165651.db2.gz HSZFMUHEWCUVSI-VIFPVBQESA-N 2 2 303.309 2.284 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001168967741 784989865 /nfs/dbraw/zinc/98/98/65/784989865.db2.gz SVQWPKSGBGNYSH-LSDHHAIUSA-N 2 2 300.362 2.407 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001169042525 785013957 /nfs/dbraw/zinc/01/39/57/785013957.db2.gz FJGDJAMNDYFBPE-ZFWWWQNUSA-N 2 2 304.394 2.085 20 5 DEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001254589831 1143270429 /nfs/dbraw/zinc/27/04/29/1143270429.db2.gz RTRUOMGSTNACLL-HNNXBMFYSA-N 2 2 308.341 2.500 20 5 DEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCCC2)n1 ZINC000331724594 282893814 /nfs/dbraw/zinc/89/38/14/282893814.db2.gz LUASNHSOFZBKDN-HUUCEWRRSA-N 2 2 321.425 2.351 20 5 DEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977435 357384301 /nfs/dbraw/zinc/38/43/01/357384301.db2.gz ZCDRCAOXGXQDTF-LBPRGKRZSA-N 2 2 322.384 2.314 20 5 DEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977435 357384304 /nfs/dbraw/zinc/38/43/04/357384304.db2.gz ZCDRCAOXGXQDTF-LBPRGKRZSA-N 2 2 322.384 2.314 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605229 357566666 /nfs/dbraw/zinc/56/66/66/357566666.db2.gz FIXHHNPFBPLYCT-UKRRQHHQSA-N 2 2 309.410 2.255 20 5 DEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605229 357566667 /nfs/dbraw/zinc/56/66/67/357566667.db2.gz FIXHHNPFBPLYCT-UKRRQHHQSA-N 2 2 309.410 2.255 20 5 DEBDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516470 358287941 /nfs/dbraw/zinc/28/79/41/358287941.db2.gz ZVTSTEQQBRFUBI-DZGCQCFKSA-N 2 2 319.405 2.499 20 5 DEBDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516473 358288193 /nfs/dbraw/zinc/28/81/93/358288193.db2.gz ZVTSTEQQBRFUBI-ZFWWWQNUSA-N 2 2 319.405 2.499 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267192108 403023631 /nfs/dbraw/zinc/02/36/31/403023631.db2.gz MRVMPJJRFZUSMB-UHFFFAOYSA-N 2 2 306.410 2.341 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000269656807 403154493 /nfs/dbraw/zinc/15/44/93/403154493.db2.gz ORPFJLLHCUPQDP-MRXNPFEDSA-N 2 2 316.361 2.162 20 5 DEBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000304451957 403793336 /nfs/dbraw/zinc/79/33/36/403793336.db2.gz OSHKGVLNGCOXCK-PBHICJAKSA-N 2 2 321.421 2.338 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427112276 405389207 /nfs/dbraw/zinc/38/92/07/405389207.db2.gz BAKIBYNVHYWFLI-SWLSCSKDSA-N 2 2 305.378 2.177 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427112276 405389209 /nfs/dbraw/zinc/38/92/09/405389209.db2.gz BAKIBYNVHYWFLI-SWLSCSKDSA-N 2 2 305.378 2.177 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518471 637226299 /nfs/dbraw/zinc/22/62/99/637226299.db2.gz KRACBBYBRGNZOM-DZGCQCFKSA-N 2 2 319.405 2.423 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518471 637226304 /nfs/dbraw/zinc/22/63/04/637226304.db2.gz KRACBBYBRGNZOM-DZGCQCFKSA-N 2 2 319.405 2.423 20 5 DEBDLP O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486575 643367188 /nfs/dbraw/zinc/36/71/88/643367188.db2.gz WLDFMLNUZNNOKD-OAHLLOKOSA-N 2 2 305.378 2.238 20 5 DEBDLP [NH3+]CCN(Cc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000809735233 646270380 /nfs/dbraw/zinc/27/03/80/646270380.db2.gz WKRKABOGNLBQMR-UHFFFAOYSA-N 2 2 311.345 2.208 20 5 DEBDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877485668 690127982 /nfs/dbraw/zinc/12/79/82/690127982.db2.gz CLVCWABCPZUXTH-PIMMBPRGSA-N 2 2 321.425 2.205 20 5 DEBDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877485668 690127984 /nfs/dbraw/zinc/12/79/84/690127984.db2.gz CLVCWABCPZUXTH-PIMMBPRGSA-N 2 2 321.425 2.205 20 5 DEBDLP C[NH+](C)C1(C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000931349596 694375250 /nfs/dbraw/zinc/37/52/50/694375250.db2.gz DPGJWJULSFUXRY-UHFFFAOYSA-N 2 2 307.394 2.390 20 5 DEBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246109251 1140862090 /nfs/dbraw/zinc/86/20/90/1140862090.db2.gz AMQWGUHWWHJUKB-TYNCELHUSA-N 2 2 307.394 2.122 20 5 DEBDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611689 1143282397 /nfs/dbraw/zinc/28/23/97/1143282397.db2.gz RMSKDHPHBYKFRV-INIZCTEOSA-N 2 2 300.362 2.281 20 5 DEBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611689 1143282407 /nfs/dbraw/zinc/28/24/07/1143282407.db2.gz RMSKDHPHBYKFRV-INIZCTEOSA-N 2 2 300.362 2.281 20 5 DEBDLP C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489227 361841497 /nfs/dbraw/zinc/84/14/97/361841497.db2.gz ZCRUBRLSMDHOCN-QWHCGFSZSA-N 2 2 321.425 2.071 20 5 DEBDLP C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489227 361841499 /nfs/dbraw/zinc/84/14/99/361841499.db2.gz ZCRUBRLSMDHOCN-QWHCGFSZSA-N 2 2 321.425 2.071 20 5 DEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000151342902 355926103 /nfs/dbraw/zinc/92/61/03/355926103.db2.gz UCIWTFAPNJQICR-UHFFFAOYSA-N 2 2 316.336 2.451 20 5 DEBDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000593999219 358186900 /nfs/dbraw/zinc/18/69/00/358186900.db2.gz BLZWQAZJGLFWHI-CQSZACIVSA-N 2 2 321.421 2.481 20 5 DEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595100747 358389514 /nfs/dbraw/zinc/38/95/14/358389514.db2.gz IRVDHHCJHMDHIQ-CXAGYDPISA-N 2 2 319.405 2.499 20 5 DEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000269656801 403153926 /nfs/dbraw/zinc/15/39/26/403153926.db2.gz ORPFJLLHCUPQDP-INIZCTEOSA-N 2 2 316.361 2.162 20 5 DEBDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998480 403237777 /nfs/dbraw/zinc/23/77/77/403237777.db2.gz HSFOOKBSJGZVQR-CQDKDKBSSA-N 2 2 304.394 2.454 20 5 DEBDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998480 403237779 /nfs/dbraw/zinc/23/77/79/403237779.db2.gz HSFOOKBSJGZVQR-CQDKDKBSSA-N 2 2 304.394 2.454 20 5 DEBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347779845 403865081 /nfs/dbraw/zinc/86/50/81/403865081.db2.gz QGSSQZOUMZQCNA-ZDTYVGOBSA-N 2 2 319.405 2.308 20 5 DEBDLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414869277 404753017 /nfs/dbraw/zinc/75/30/17/404753017.db2.gz FWGMIRGXRZQPCZ-HOCLYGCPSA-N 2 2 321.421 2.132 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906467 404762823 /nfs/dbraw/zinc/76/28/23/404762823.db2.gz PTVRLHVJDYQCBR-MRXNPFEDSA-N 2 2 307.394 2.473 20 5 DEBDLP C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000414955366 404775561 /nfs/dbraw/zinc/77/55/61/404775561.db2.gz UDMPKGLAMDAVSG-GXSJLCMTSA-N 2 2 315.320 2.426 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415122810 404812293 /nfs/dbraw/zinc/81/22/93/404812293.db2.gz ISAGQYVLOJPRTA-OCCSQVGLSA-N 2 2 307.394 2.410 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415122810 404812296 /nfs/dbraw/zinc/81/22/96/404812296.db2.gz ISAGQYVLOJPRTA-OCCSQVGLSA-N 2 2 307.394 2.410 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427112277 405389292 /nfs/dbraw/zinc/38/92/92/405389292.db2.gz BAKIBYNVHYWFLI-WFASDCNBSA-N 2 2 305.378 2.177 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427112277 405389295 /nfs/dbraw/zinc/38/92/95/405389295.db2.gz BAKIBYNVHYWFLI-WFASDCNBSA-N 2 2 305.378 2.177 20 5 DEBDLP CC[NH2+][C@H](C)CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423372921 405782430 /nfs/dbraw/zinc/78/24/30/405782430.db2.gz BOVSJPSYLADXKR-IUODEOHRSA-N 2 2 317.393 2.005 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000155644055 280374384 /nfs/dbraw/zinc/37/43/84/280374384.db2.gz WPSIXKRCAPBVOF-OAHLLOKOSA-N 2 2 300.362 2.402 20 5 DEBDLP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000895296861 637900929 /nfs/dbraw/zinc/90/09/29/637900929.db2.gz GNXJMSWBIYFCLL-NSHDSACASA-N 2 2 311.382 2.042 20 5 DEBDLP Cc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000903818954 643472409 /nfs/dbraw/zinc/47/24/09/643472409.db2.gz ZODWKIPOTIFFBP-UHFFFAOYSA-N 2 2 319.405 2.248 20 5 DEBDLP Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000903818954 643472411 /nfs/dbraw/zinc/47/24/11/643472411.db2.gz ZODWKIPOTIFFBP-UHFFFAOYSA-N 2 2 319.405 2.248 20 5 DEBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104435 652340998 /nfs/dbraw/zinc/34/09/98/652340998.db2.gz BUDZVRNBPPMNOF-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104435 652341000 /nfs/dbraw/zinc/34/10/00/652341000.db2.gz BUDZVRNBPPMNOF-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104435 652341004 /nfs/dbraw/zinc/34/10/04/652341004.db2.gz BUDZVRNBPPMNOF-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104435 652341007 /nfs/dbraw/zinc/34/10/07/652341007.db2.gz BUDZVRNBPPMNOF-IRXDYDNUSA-N 2 2 319.405 2.046 20 5 DEBDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035809 688917037 /nfs/dbraw/zinc/91/70/37/688917037.db2.gz ZBCCAIZZQNOGRV-OLZOCXBDSA-N 2 2 324.400 2.020 20 5 DEBDLP Cn1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])n1 ZINC000877524670 690139604 /nfs/dbraw/zinc/13/96/04/690139604.db2.gz BJSQPINPCNNFBV-UHFFFAOYSA-N 2 2 317.393 2.022 20 5 DEBDLP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])n1 ZINC000877524670 690139608 /nfs/dbraw/zinc/13/96/08/690139608.db2.gz BJSQPINPCNNFBV-UHFFFAOYSA-N 2 2 317.393 2.022 20 5 DEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001169012198 785002806 /nfs/dbraw/zinc/00/28/06/785002806.db2.gz OQTDFWJDJVRPCC-ZIAGYGMSSA-N 2 2 305.378 2.370 20 5 DEBDLP COc1ccc(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001170294587 786891294 /nfs/dbraw/zinc/89/12/94/786891294.db2.gz BNHDJHKWPLTTDT-CYBMUJFWSA-N 2 2 318.377 2.411 20 5 DEBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001461089206 1058582833 /nfs/dbraw/zinc/58/28/33/1058582833.db2.gz PETCJRAEIIZIJR-UHFFFAOYSA-N 2 2 309.329 2.465 20 5 DEBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576277 1140977660 /nfs/dbraw/zinc/97/76/60/1140977660.db2.gz JMPCFKRRSUKNQU-JKSUJKDBSA-N 2 2 307.369 2.215 20 5 DEBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246576277 1140977679 /nfs/dbraw/zinc/97/76/79/1140977679.db2.gz JMPCFKRRSUKNQU-JKSUJKDBSA-N 2 2 307.369 2.215 20 5 DEBDLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336703220 1142538744 /nfs/dbraw/zinc/53/87/44/1142538744.db2.gz IYFQJBCVXSVQLK-OAHLLOKOSA-N 2 2 318.377 2.238 20 5 DEBDLP CCc1cc(NCCCC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420226870 529505004 /nfs/dbraw/zinc/50/50/04/529505004.db2.gz AWESOZMOZPMLIU-UHFFFAOYSA-N 2 2 315.377 2.187 20 5 DEBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125261786 355811451 /nfs/dbraw/zinc/81/14/51/355811451.db2.gz CXBDZEKNGYGZIA-UHFFFAOYSA-N 2 2 316.336 2.451 20 5 DEBDLP CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000592488298 357885225 /nfs/dbraw/zinc/88/52/25/357885225.db2.gz JVESGDLLHBXASZ-JQWIXIFHSA-N 2 2 304.350 2.295 20 5 DEBDLP CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000592488298 357885229 /nfs/dbraw/zinc/88/52/29/357885229.db2.gz JVESGDLLHBXASZ-JQWIXIFHSA-N 2 2 304.350 2.295 20 5 DEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521290 285261938 /nfs/dbraw/zinc/26/19/38/285261938.db2.gz VZFUEWRCYLEXKT-RBSFLKMASA-N 2 2 321.425 2.349 20 5 DEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521290 285261940 /nfs/dbraw/zinc/26/19/40/285261940.db2.gz VZFUEWRCYLEXKT-RBSFLKMASA-N 2 2 321.425 2.349 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000347185888 146206595 /nfs/dbraw/zinc/20/65/95/146206595.db2.gz YUUYXNRGUGWIAX-CYBMUJFWSA-N 2 2 307.394 2.425 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000347185888 146206596 /nfs/dbraw/zinc/20/65/96/146206596.db2.gz YUUYXNRGUGWIAX-CYBMUJFWSA-N 2 2 307.394 2.425 20 5 DEBDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154374021 402209348 /nfs/dbraw/zinc/20/93/48/402209348.db2.gz HTEDGCKVIOFPHG-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154374021 402209350 /nfs/dbraw/zinc/20/93/50/402209350.db2.gz HTEDGCKVIOFPHG-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154374021 402209352 /nfs/dbraw/zinc/20/93/52/402209352.db2.gz HTEDGCKVIOFPHG-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154374021 402209354 /nfs/dbraw/zinc/20/93/54/402209354.db2.gz HTEDGCKVIOFPHG-RDJZCZTQSA-N 2 2 321.421 2.434 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663564 403155203 /nfs/dbraw/zinc/15/52/03/403155203.db2.gz REPSGDNTDXPBOE-DZGCQCFKSA-N 2 2 316.361 2.231 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269663564 403155204 /nfs/dbraw/zinc/15/52/04/403155204.db2.gz REPSGDNTDXPBOE-DZGCQCFKSA-N 2 2 316.361 2.231 20 5 DEBDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000352777132 404612053 /nfs/dbraw/zinc/61/20/53/404612053.db2.gz AKRRVXBDCPBPKL-UHFFFAOYSA-N 2 2 306.391 2.403 20 5 DEBDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000419677945 405262438 /nfs/dbraw/zinc/26/24/38/405262438.db2.gz DFMVUYQZSYKGLW-UHFFFAOYSA-N 2 2 323.784 2.338 20 5 DEBDLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510822 405416174 /nfs/dbraw/zinc/41/61/74/405416174.db2.gz QRZIEALFYBVYPJ-OLZOCXBDSA-N 2 2 309.414 2.205 20 5 DEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561235 405457507 /nfs/dbraw/zinc/45/75/07/405457507.db2.gz ZIUAMYPRIHULJW-MNOVXSKESA-N 2 2 304.350 2.295 20 5 DEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430561235 405457508 /nfs/dbraw/zinc/45/75/08/405457508.db2.gz ZIUAMYPRIHULJW-MNOVXSKESA-N 2 2 304.350 2.295 20 5 DEBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430598859 405464499 /nfs/dbraw/zinc/46/44/99/405464499.db2.gz UNFSFOFRKGKUGJ-CQSZACIVSA-N 2 2 316.361 2.215 20 5 DEBDLP [NH3+]C[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430598859 405464501 /nfs/dbraw/zinc/46/45/01/405464501.db2.gz UNFSFOFRKGKUGJ-CQSZACIVSA-N 2 2 316.361 2.215 20 5 DEBDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423415294 405797702 /nfs/dbraw/zinc/79/77/02/405797702.db2.gz DJUHXJBYSVQORN-BBRMVZONSA-N 2 2 307.394 2.322 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357070120 535022027 /nfs/dbraw/zinc/02/20/27/535022027.db2.gz FVDBMYPEZAUTDH-HIFRSBDPSA-N 2 2 319.405 2.423 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357070120 535022031 /nfs/dbraw/zinc/02/20/31/535022031.db2.gz FVDBMYPEZAUTDH-HIFRSBDPSA-N 2 2 319.405 2.423 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609246 625191583 /nfs/dbraw/zinc/19/15/83/625191583.db2.gz YYKYKWJKFDJDBV-STQMWFEESA-N 2 2 321.377 2.025 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609246 625191585 /nfs/dbraw/zinc/19/15/85/625191585.db2.gz YYKYKWJKFDJDBV-STQMWFEESA-N 2 2 321.377 2.025 20 5 DEBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000776593078 642190385 /nfs/dbraw/zinc/19/03/85/642190385.db2.gz VQWZOUJSLAEQAP-OAHLLOKOSA-N 2 2 316.361 2.231 20 5 DEBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906928 647378126 /nfs/dbraw/zinc/37/81/26/647378126.db2.gz HQDUWKPZDRADEP-CMPLNLGQSA-N 2 2 313.785 2.105 20 5 DEBDLP C[NH+]1C[C@@]2(C)C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000931309929 694363187 /nfs/dbraw/zinc/36/31/87/694363187.db2.gz VDDFAIWUVFEGJD-IRXDYDNUSA-N 2 2 319.405 2.247 20 5 DEBDLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880474262 690906855 /nfs/dbraw/zinc/90/68/55/690906855.db2.gz WQYPLZARMILOGM-MRXNPFEDSA-N 2 2 319.405 2.188 20 5 DEBDLP CCO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961643 693536138 /nfs/dbraw/zinc/53/61/38/693536138.db2.gz PQIUZOWEMDYFNC-IUODEOHRSA-N 2 2 307.394 2.138 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000278721251 214352951 /nfs/dbraw/zinc/35/29/51/214352951.db2.gz POSOJZLDJKIQDM-VXGBXAGGSA-N 2 2 315.377 2.188 20 5 DEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000278721251 214352953 /nfs/dbraw/zinc/35/29/53/214352953.db2.gz POSOJZLDJKIQDM-VXGBXAGGSA-N 2 2 315.377 2.188 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000072688489 354913535 /nfs/dbraw/zinc/91/35/35/354913535.db2.gz SWDCMFBCHNMHIC-HUUCEWRRSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000072688489 354913538 /nfs/dbraw/zinc/91/35/38/354913538.db2.gz SWDCMFBCHNMHIC-HUUCEWRRSA-N 2 2 319.405 2.310 20 5 DEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275607 357697452 /nfs/dbraw/zinc/69/74/52/357697452.db2.gz IPKGUQJNSHLWKU-TZMCWYRMSA-N 2 2 320.393 2.044 20 5 DEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096351 358388813 /nfs/dbraw/zinc/38/88/13/358388813.db2.gz JTKSLQGGJIMFBR-RRFJBIMHSA-N 2 2 321.425 2.349 20 5 DEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595096351 358388816 /nfs/dbraw/zinc/38/88/16/358388816.db2.gz JTKSLQGGJIMFBR-RRFJBIMHSA-N 2 2 321.425 2.349 20 5 DEBDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292816952 223259576 /nfs/dbraw/zinc/25/95/76/223259576.db2.gz ZMMFWMRLPZTGSV-UHFFFAOYSA-N 2 2 324.400 2.480 20 5 DEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000609599056 361326312 /nfs/dbraw/zinc/32/63/12/361326312.db2.gz GGIYLXHNXKUJDN-INIZCTEOSA-N 2 2 319.405 2.328 20 5 DEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449258490 240275471 /nfs/dbraw/zinc/27/54/71/240275471.db2.gz NFRPGLUJGYNYKI-JSGCOSHPSA-N 2 2 300.362 2.327 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000266513154 205399975 /nfs/dbraw/zinc/39/99/75/205399975.db2.gz FGMURFFSTDZACW-CQSZACIVSA-N 2 2 321.421 2.434 20 5 DEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000266513154 205399979 /nfs/dbraw/zinc/39/99/79/205399979.db2.gz FGMURFFSTDZACW-CQSZACIVSA-N 2 2 321.421 2.434 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262098628 145261739 /nfs/dbraw/zinc/26/17/39/145261739.db2.gz VKQYBYSKGFLBNN-INIZCTEOSA-N 2 2 305.378 2.179 20 5 DEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262098628 145261740 /nfs/dbraw/zinc/26/17/40/145261740.db2.gz VKQYBYSKGFLBNN-INIZCTEOSA-N 2 2 305.378 2.179 20 5 DEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000350050182 404303644 /nfs/dbraw/zinc/30/36/44/404303644.db2.gz QSJUUVBXODFUIG-AWEZNQCLSA-N 2 2 307.394 2.104 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352503157 404419456 /nfs/dbraw/zinc/41/94/56/404419456.db2.gz CEWUEKIFFWVZSL-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352503157 404419458 /nfs/dbraw/zinc/41/94/58/404419458.db2.gz CEWUEKIFFWVZSL-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435383062 404975985 /nfs/dbraw/zinc/97/59/85/404975985.db2.gz DPRCZJNHNQQKQW-NSHDSACASA-N 2 2 318.402 2.499 20 5 DEBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435383062 404975988 /nfs/dbraw/zinc/97/59/88/404975988.db2.gz DPRCZJNHNQQKQW-NSHDSACASA-N 2 2 318.402 2.499 20 5 DEBDLP CCc1cc(NCC[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420157106 405291132 /nfs/dbraw/zinc/29/11/32/405291132.db2.gz OHIPPBGNXHPQFJ-LLVKDONJSA-N 2 2 315.377 2.185 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600542 405464421 /nfs/dbraw/zinc/46/44/21/405464421.db2.gz SGXVJKWFWNSULD-DOMZBBRYSA-N 2 2 323.393 2.041 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430600542 405464424 /nfs/dbraw/zinc/46/44/24/405464424.db2.gz SGXVJKWFWNSULD-DOMZBBRYSA-N 2 2 323.393 2.041 20 5 DEBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430963616 405549088 /nfs/dbraw/zinc/54/90/88/405549088.db2.gz AJRJXUAPDFBECS-CYBMUJFWSA-N 2 2 307.394 2.423 20 5 DEBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430963616 405549091 /nfs/dbraw/zinc/54/90/91/405549091.db2.gz AJRJXUAPDFBECS-CYBMUJFWSA-N 2 2 307.394 2.423 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865676 406163383 /nfs/dbraw/zinc/16/33/83/406163383.db2.gz WESCDPUSNUFMJZ-CYBMUJFWSA-N 2 2 316.361 2.197 20 5 DEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865676 406163387 /nfs/dbraw/zinc/16/33/87/406163387.db2.gz WESCDPUSNUFMJZ-CYBMUJFWSA-N 2 2 316.361 2.197 20 5 DEBDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367517765 269078016 /nfs/dbraw/zinc/07/80/16/269078016.db2.gz LMQPDNQHXPCRGC-HNNXBMFYSA-N 2 2 318.421 2.484 20 5 DEBDLP Cc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367517765 269078018 /nfs/dbraw/zinc/07/80/18/269078018.db2.gz LMQPDNQHXPCRGC-HNNXBMFYSA-N 2 2 318.421 2.484 20 5 DEBDLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931354765 694376256 /nfs/dbraw/zinc/37/62/56/694376256.db2.gz MSKHXLZODXHCBW-HNNXBMFYSA-N 2 2 307.394 2.044 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001335398316 1150406683 /nfs/dbraw/zinc/40/66/83/1150406683.db2.gz SQOSOFLUCFPCEZ-BRWVUGGUSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001335398316 1150406692 /nfs/dbraw/zinc/40/66/92/1150406692.db2.gz SQOSOFLUCFPCEZ-BRWVUGGUSA-N 2 2 319.405 2.235 20 5 DEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001169012195 785003442 /nfs/dbraw/zinc/00/34/42/785003442.db2.gz OQTDFWJDJVRPCC-UONOGXRCSA-N 2 2 305.378 2.370 20 5 DEBDLP Cc1[nH+]c2c(n1-c1ccc3cccc([N+](=O)[O-])c3n1)CC[NH2+]CC2 ZINC001165353348 799712436 /nfs/dbraw/zinc/71/24/36/799712436.db2.gz PGRQDJPGCKULCC-UHFFFAOYSA-N 2 2 323.356 2.325 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605230 357566568 /nfs/dbraw/zinc/56/65/68/357566568.db2.gz FIXHHNPFBPLYCT-ZFWWWQNUSA-N 2 2 309.410 2.255 20 5 DEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605230 357566569 /nfs/dbraw/zinc/56/65/69/357566569.db2.gz FIXHHNPFBPLYCT-ZFWWWQNUSA-N 2 2 309.410 2.255 20 5 DEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516472 358287872 /nfs/dbraw/zinc/28/78/72/358287872.db2.gz ZVTSTEQQBRFUBI-UKRRQHHQSA-N 2 2 319.405 2.499 20 5 DEBDLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000598912198 359354964 /nfs/dbraw/zinc/35/49/64/359354964.db2.gz ODLQTLNSFXVGTG-QWRGUYRKSA-N 2 2 304.350 2.308 20 5 DEBDLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000598912198 359354968 /nfs/dbraw/zinc/35/49/68/359354968.db2.gz ODLQTLNSFXVGTG-QWRGUYRKSA-N 2 2 304.350 2.308 20 5 DEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000177376352 402396247 /nfs/dbraw/zinc/39/62/47/402396247.db2.gz UEIDJHNXNDCCAR-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000177376352 402396249 /nfs/dbraw/zinc/39/62/49/402396249.db2.gz UEIDJHNXNDCCAR-UHFFFAOYSA-N 2 2 320.437 2.053 20 5 DEBDLP C[C@@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000332248043 403529043 /nfs/dbraw/zinc/52/90/43/403529043.db2.gz SXRBASVJJQEHNE-VXGBXAGGSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000332248043 403529047 /nfs/dbraw/zinc/52/90/47/403529047.db2.gz SXRBASVJJQEHNE-VXGBXAGGSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@@H]1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248043 403529051 /nfs/dbraw/zinc/52/90/51/403529051.db2.gz SXRBASVJJQEHNE-VXGBXAGGSA-N 2 2 317.393 2.386 20 5 DEBDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH+]1C ZINC000332248043 403529056 /nfs/dbraw/zinc/52/90/56/403529056.db2.gz SXRBASVJJQEHNE-VXGBXAGGSA-N 2 2 317.393 2.386 20 5 DEBDLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439446 403964290 /nfs/dbraw/zinc/96/42/90/403964290.db2.gz YUEKMKBAKIFYQN-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439446 403964296 /nfs/dbraw/zinc/96/42/96/403964296.db2.gz YUEKMKBAKIFYQN-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439446 403964303 /nfs/dbraw/zinc/96/43/03/403964303.db2.gz YUEKMKBAKIFYQN-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439446 403964310 /nfs/dbraw/zinc/96/43/10/403964310.db2.gz YUEKMKBAKIFYQN-KRWDZBQOSA-N 2 2 319.405 2.014 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337820828 404261275 /nfs/dbraw/zinc/26/12/75/404261275.db2.gz UGRDERNPNZQKPA-KGLIPLIRSA-N 2 2 305.378 2.320 20 5 DEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337820828 404261278 /nfs/dbraw/zinc/26/12/78/404261278.db2.gz UGRDERNPNZQKPA-KGLIPLIRSA-N 2 2 305.378 2.320 20 5 DEBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC([NH3+])C1 ZINC000414783607 404733915 /nfs/dbraw/zinc/73/39/15/404733915.db2.gz ZPAGUVAFZUSUEN-UHFFFAOYSA-N 2 2 301.293 2.118 20 5 DEBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC([NH3+])C1 ZINC000414783607 404733918 /nfs/dbraw/zinc/73/39/18/404733918.db2.gz ZPAGUVAFZUSUEN-UHFFFAOYSA-N 2 2 301.293 2.118 20 5 DEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414829148 404743998 /nfs/dbraw/zinc/74/39/98/404743998.db2.gz NEZVRFNFEXJPRY-JTQLQIEISA-N 2 2 315.320 2.285 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573474 405459349 /nfs/dbraw/zinc/45/93/49/405459349.db2.gz QVYWAGZFULTALM-WFASDCNBSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573474 405459352 /nfs/dbraw/zinc/45/93/52/405459352.db2.gz QVYWAGZFULTALM-WFASDCNBSA-N 2 2 322.409 2.227 20 5 DEBDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423415296 405798256 /nfs/dbraw/zinc/79/82/56/405798256.db2.gz DJUHXJBYSVQORN-CZUORRHYSA-N 2 2 307.394 2.322 20 5 DEBDLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423417882 405799400 /nfs/dbraw/zinc/79/94/00/405799400.db2.gz HKFUBPZZLFLKEY-HOTGVXAUSA-N 2 2 307.394 2.404 20 5 DEBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063362 406860472 /nfs/dbraw/zinc/86/04/72/406860472.db2.gz BPOCZCDJZVQDMH-QLFBSQMISA-N 2 2 321.425 2.206 20 5 DEBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000556063362 406860473 /nfs/dbraw/zinc/86/04/73/406860473.db2.gz BPOCZCDJZVQDMH-QLFBSQMISA-N 2 2 321.425 2.206 20 5 DEBDLP COC[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423416816 274052763 /nfs/dbraw/zinc/05/27/63/274052763.db2.gz RGYGKTMJPSGLOA-IAGOWNOFSA-N 2 2 319.405 2.330 20 5 DEBDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588673 642189421 /nfs/dbraw/zinc/18/94/21/642189421.db2.gz NMVROUYFAGAFMI-NVXWUHKLSA-N 2 2 321.421 2.434 20 5 DEBDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588673 642189424 /nfs/dbraw/zinc/18/94/24/642189424.db2.gz NMVROUYFAGAFMI-NVXWUHKLSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588673 642189426 /nfs/dbraw/zinc/18/94/26/642189426.db2.gz NMVROUYFAGAFMI-NVXWUHKLSA-N 2 2 321.421 2.434 20 5 DEBDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588673 642189428 /nfs/dbraw/zinc/18/94/28/642189428.db2.gz NMVROUYFAGAFMI-NVXWUHKLSA-N 2 2 321.421 2.434 20 5 DEBDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000930861190 694256829 /nfs/dbraw/zinc/25/68/29/694256829.db2.gz AHVGXHXELBBKEM-GASCZTMLSA-N 2 2 321.421 2.004 20 5 DEBDLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000930861190 694256833 /nfs/dbraw/zinc/25/68/33/694256833.db2.gz AHVGXHXELBBKEM-GASCZTMLSA-N 2 2 321.421 2.004 20 5 DEBDLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000930861190 694256834 /nfs/dbraw/zinc/25/68/34/694256834.db2.gz AHVGXHXELBBKEM-GASCZTMLSA-N 2 2 321.421 2.004 20 5 DEBDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000883160395 691444195 /nfs/dbraw/zinc/44/41/95/691444195.db2.gz OLYQPKBVVTXHBU-OAHLLOKOSA-N 2 2 309.410 2.086 20 5 DEBDLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907701 793524052 /nfs/dbraw/zinc/52/40/52/793524052.db2.gz HRACYLJRZKKWQK-OAHLLOKOSA-N 2 2 314.389 2.408 20 5 DEBDLP O=[N+]([O-])c1ccc2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155057453 797671695 /nfs/dbraw/zinc/67/16/95/797671695.db2.gz JDDFNLULMCYJDM-UHFFFAOYSA-N 2 2 324.344 2.191 20 5 DEBDLP C[NH+](C)/C=C/c1cc(NC2C[NH+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001162226679 799037258 /nfs/dbraw/zinc/03/72/58/799037258.db2.gz VGKRHNQCHKUBAD-VOTSOKGWSA-N 2 2 319.409 2.417 20 5 DEBDLP Cc1cc([N+](=O)[O-])cc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1F ZINC001164217604 799542620 /nfs/dbraw/zinc/54/26/20/799542620.db2.gz YNXXTTOPSMAKPM-UHFFFAOYSA-N 2 2 324.400 2.480 20 5 DEBDLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC001621569628 1078177795 /nfs/dbraw/zinc/17/77/95/1078177795.db2.gz AQMJJGWXBBHEOD-CYZMBNFOSA-N 2 2 316.361 2.166 20 5 DEBDLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC001621569628 1078177797 /nfs/dbraw/zinc/17/77/97/1078177797.db2.gz AQMJJGWXBBHEOD-CYZMBNFOSA-N 2 2 316.361 2.166 20 5 DEBDLP C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC001579441807 1067341160 /nfs/dbraw/zinc/34/11/60/1067341160.db2.gz VUXUXVIYTVCBQP-DGCLKSJQSA-N 2 2 316.361 2.276 20 5 DEBDLP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC001579441807 1067341174 /nfs/dbraw/zinc/34/11/74/1067341174.db2.gz VUXUXVIYTVCBQP-DGCLKSJQSA-N 2 2 316.361 2.276 20 5 DEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1F ZINC001246187542 1140871557 /nfs/dbraw/zinc/87/15/57/1140871557.db2.gz PITGSTFRECZAMP-GHMZBOCLSA-N 2 2 311.357 2.015 20 5 DEBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846905 1142595795 /nfs/dbraw/zinc/59/57/95/1142595795.db2.gz ZTXSCGKPJXBBHD-OWCLPIDISA-N 2 2 319.405 2.091 20 5 DEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000579128510 356927252 /nfs/dbraw/zinc/92/72/52/356927252.db2.gz DCGBYWZPXNUOAI-MRXNPFEDSA-N 2 2 319.405 2.019 20 5 DEBDLP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427663 357874912 /nfs/dbraw/zinc/87/49/12/357874912.db2.gz NYWSKUIXICJQIV-YPMHNXCESA-N 2 2 323.393 2.171 20 5 DEBDLP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427663 357874918 /nfs/dbraw/zinc/87/49/18/357874918.db2.gz NYWSKUIXICJQIV-YPMHNXCESA-N 2 2 323.393 2.171 20 5 DEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000181086263 199251278 /nfs/dbraw/zinc/25/12/78/199251278.db2.gz WVRBSAFNLYCBIA-UHFFFAOYSA-N 2 2 315.333 2.455 20 5 DEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000181086263 199251280 /nfs/dbraw/zinc/25/12/80/199251280.db2.gz WVRBSAFNLYCBIA-UHFFFAOYSA-N 2 2 315.333 2.455 20 5 DEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000602637682 360471393 /nfs/dbraw/zinc/47/13/93/360471393.db2.gz OUXFSQBCDKYSTQ-MNOVXSKESA-N 2 2 303.366 2.043 20 5 DEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000602637682 360471398 /nfs/dbraw/zinc/47/13/98/360471398.db2.gz OUXFSQBCDKYSTQ-MNOVXSKESA-N 2 2 303.366 2.043 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352487128 404406868 /nfs/dbraw/zinc/40/68/68/404406868.db2.gz AGMAZBTYCLZSFP-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352487128 404406876 /nfs/dbraw/zinc/40/68/76/404406876.db2.gz AGMAZBTYCLZSFP-CYBMUJFWSA-N 2 2 320.393 2.045 20 5 DEBDLP [NH3+][C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000414900540 404761878 /nfs/dbraw/zinc/76/18/78/404761878.db2.gz WBGFAAXPPCUGSA-LLVKDONJSA-N 2 2 301.293 2.023 20 5 DEBDLP [NH3+]CC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414915966 404764828 /nfs/dbraw/zinc/76/48/28/404764828.db2.gz RLSNWIQSXJCWPI-UHFFFAOYSA-N 2 2 321.402 2.076 20 5 DEBDLP [NH3+]CC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414915966 404764834 /nfs/dbraw/zinc/76/48/34/404764834.db2.gz RLSNWIQSXJCWPI-UHFFFAOYSA-N 2 2 321.402 2.076 20 5 DEBDLP C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000420367336 405333762 /nfs/dbraw/zinc/33/37/62/405333762.db2.gz JYAVBNVHEKGHNM-SMDDNHRTSA-N 2 2 316.361 2.071 20 5 DEBDLP C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000420367336 405333764 /nfs/dbraw/zinc/33/37/64/405333764.db2.gz JYAVBNVHEKGHNM-SMDDNHRTSA-N 2 2 316.361 2.071 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573468 405459588 /nfs/dbraw/zinc/45/95/88/405459588.db2.gz QVYWAGZFULTALM-DOMZBBRYSA-N 2 2 322.409 2.227 20 5 DEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430573468 405459589 /nfs/dbraw/zinc/45/95/89/405459589.db2.gz QVYWAGZFULTALM-DOMZBBRYSA-N 2 2 322.409 2.227 20 5 DEBDLP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611552 405466594 /nfs/dbraw/zinc/46/65/94/405466594.db2.gz OMZHCHNMTHMTKC-TZMCWYRMSA-N 2 2 323.393 2.184 20 5 DEBDLP COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430611552 405466596 /nfs/dbraw/zinc/46/65/96/405466596.db2.gz OMZHCHNMTHMTKC-TZMCWYRMSA-N 2 2 323.393 2.184 20 5 DEBDLP C[C@@H](C[NH3+])[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430943218 405539664 /nfs/dbraw/zinc/53/96/64/405539664.db2.gz OGDLBSLYIKJWFV-NSHDSACASA-N 2 2 304.350 2.071 20 5 DEBDLP C[C@@H](C[NH3+])[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430943218 405539667 /nfs/dbraw/zinc/53/96/67/405539667.db2.gz OGDLBSLYIKJWFV-NSHDSACASA-N 2 2 304.350 2.071 20 5 DEBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423498032 405828235 /nfs/dbraw/zinc/82/82/35/405828235.db2.gz ZSUULRWZWPPSNJ-BBRMVZONSA-N 2 2 319.405 2.285 20 5 DEBDLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510820 289036022 /nfs/dbraw/zinc/03/60/22/289036022.db2.gz QRZIEALFYBVYPJ-CHWSQXEVSA-N 2 2 309.414 2.205 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357070116 535021898 /nfs/dbraw/zinc/02/18/98/535021898.db2.gz FVDBMYPEZAUTDH-DZGCQCFKSA-N 2 2 319.405 2.423 20 5 DEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357070116 535021900 /nfs/dbraw/zinc/02/19/00/535021900.db2.gz FVDBMYPEZAUTDH-DZGCQCFKSA-N 2 2 319.405 2.423 20 5 DEBDLP CCc1cc(NCC(C)(C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000346634794 536089120 /nfs/dbraw/zinc/08/91/20/536089120.db2.gz NPGQFRWSQUWIFT-UHFFFAOYSA-N 2 2 315.377 2.185 20 5 DEBDLP COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000893094538 625106963 /nfs/dbraw/zinc/10/69/63/625106963.db2.gz LJDFPMFBSLLKDV-CHWSQXEVSA-N 2 2 323.393 2.271 20 5 DEBDLP CCO[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000922753584 636376368 /nfs/dbraw/zinc/37/63/68/636376368.db2.gz QOPGLYITCXBCKK-CQSZACIVSA-N 2 2 309.410 2.268 20 5 DEBDLP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000765774481 640817777 /nfs/dbraw/zinc/81/77/77/640817777.db2.gz JWLFHUJJJFIKGK-ZDUSSCGKSA-N 2 2 306.410 2.103 20 5 DEBDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784251228 643113636 /nfs/dbraw/zinc/11/36/36/643113636.db2.gz HMXYOLGCXKNBNM-MRXNPFEDSA-N 2 2 319.405 2.188 20 5 DEBDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784251228 643113642 /nfs/dbraw/zinc/11/36/42/643113642.db2.gz HMXYOLGCXKNBNM-MRXNPFEDSA-N 2 2 319.405 2.188 20 5 DEBDLP COc1cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000903151501 643275050 /nfs/dbraw/zinc/27/50/50/643275050.db2.gz GENPQSUJJJDQKW-WCQYABFASA-N 2 2 316.361 2.466 20 5 DEBDLP C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000886316542 692054588 /nfs/dbraw/zinc/05/45/88/692054588.db2.gz FAYUBAANJYEUFM-ZDUSSCGKSA-N 2 2 313.361 2.096 20 5 DEBDLP C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000886316542 692054590 /nfs/dbraw/zinc/05/45/90/692054590.db2.gz FAYUBAANJYEUFM-ZDUSSCGKSA-N 2 2 313.361 2.096 20 5 DEBDLP