smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000036268815 178152438 /nfs/dbraw/zinc/15/24/38/178152438.db2.gz DKICPHVGXVFBNN-UHFFFAOYSA-N 1 0 221.260 1.805 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])cnc1OC(F)(F)F ZINC000309202312 342910718 /nfs/dbraw/zinc/91/07/18/342910718.db2.gz YSOLCBLIMLKSSO-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO CC(C)([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000040920422 187264118 /nfs/dbraw/zinc/26/41/18/187264118.db2.gz KFUMCWDHWCPYNB-UHFFFAOYSA-N 1 0 223.232 1.271 10 5 BDBERO [NH3+]C[C@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000536956685 343652266 /nfs/dbraw/zinc/65/22/66/343652266.db2.gz AGVHSJSSGBEGFU-GXSJLCMTSA-N 1 0 222.244 1.426 10 5 BDBERO CC[C@@H]([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000082579249 133502761 /nfs/dbraw/zinc/50/27/61/133502761.db2.gz MSXJJDPJXNWUOG-SSDOTTSWSA-N 1 0 210.237 1.139 10 5 BDBERO CCc1nn(C)c(N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332522 344496614 /nfs/dbraw/zinc/49/66/14/344496614.db2.gz BVUPVSOAQFEQDP-RQJHMYQMSA-N 1 0 241.295 1.038 10 5 BDBERO [NH3+]Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000396118183 344607609 /nfs/dbraw/zinc/60/76/09/344607609.db2.gz YSRYNMACQDEJOB-UHFFFAOYSA-N 1 0 236.149 1.952 10 5 BDBERO C[NH+]1CCC(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000498050241 530049520 /nfs/dbraw/zinc/04/95/20/530049520.db2.gz JJSVSUFGZZAHGJ-UHFFFAOYSA-N 1 0 224.264 1.133 10 5 BDBERO Cc1cccc(N2C[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600962618 344816732 /nfs/dbraw/zinc/81/67/32/344816732.db2.gz ZSVJPHOXXNLFOY-WDEREUQCSA-N 1 0 249.314 1.934 10 5 BDBERO Cc1cc(N2C[C@H]([NH3+])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000600963467 344934877 /nfs/dbraw/zinc/93/48/77/344934877.db2.gz VHHNQOLBZWRVBU-DTWKUNHWSA-N 1 0 236.275 1.224 10 5 BDBERO [NH3+][C@H](CCO)c1cc([N+](=O)[O-])ccc1Cl ZINC000044232577 344988169 /nfs/dbraw/zinc/98/81/69/344988169.db2.gz ATVNBVBNQNNMKM-SECBINFHSA-N 1 0 230.651 1.630 10 5 BDBERO C[C@H]([NH3+])CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000111302673 347415730 /nfs/dbraw/zinc/41/57/30/347415730.db2.gz PTAIXKMRNYXNAV-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000596033635 348427913 /nfs/dbraw/zinc/42/79/13/348427913.db2.gz UPRMYOSZFGMYCG-QMMMGPOBSA-N 1 0 224.264 1.318 10 5 BDBERO Cc1cc(NC[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000309358484 350351702 /nfs/dbraw/zinc/35/17/02/350351702.db2.gz NRKVDGZJOUTAFE-SSDOTTSWSA-N 1 0 227.239 1.801 10 5 BDBERO C[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000052395571 350995055 /nfs/dbraw/zinc/99/50/55/350995055.db2.gz YEIKBYSGLWAZQG-MRVPVSSYSA-N 1 0 237.259 1.450 10 5 BDBERO C[C@@H](C[NH3+])N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000382977565 351121216 /nfs/dbraw/zinc/12/12/16/351121216.db2.gz NVEGTFVDMLWVCN-LURJTMIESA-N 1 0 244.682 1.427 10 5 BDBERO C[C@@H](C[NH3+])N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000383018874 351166807 /nfs/dbraw/zinc/16/68/07/351166807.db2.gz MNTWSHJKFYRMLD-ZETCQYMHSA-N 1 0 227.239 1.517 10 5 BDBERO [NH3+]Cc1cc(Br)c(F)c([N+](=O)[O-])c1 ZINC000307210068 351610188 /nfs/dbraw/zinc/61/01/88/351610188.db2.gz LXSIMGOSAUEOAM-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO CC(C)C[C@@H]1SC[C@@H]([NH3+])[C@@H]1[N+](=O)[O-] ZINC000307558275 352647199 /nfs/dbraw/zinc/64/71/99/352647199.db2.gz DCVSSXKJIRFPPW-CSMHCCOUSA-N 1 0 204.295 1.121 10 5 BDBERO Cc1ccnc(NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420212360 192176109 /nfs/dbraw/zinc/17/61/09/192176109.db2.gz GPMOBJLQCRSBOI-ZETCQYMHSA-N 1 0 224.264 1.305 10 5 BDBERO [NH3+]CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383347843 352747417 /nfs/dbraw/zinc/74/74/17/352747417.db2.gz AEIMDOOTYGZYQO-VIFPVBQESA-N 1 0 245.229 1.989 10 5 BDBERO C[C@H](C[NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000420222890 192177944 /nfs/dbraw/zinc/17/79/44/192177944.db2.gz YHZDRVWVWWMDKL-ZCFIWIBFSA-N 1 0 245.229 1.880 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[NH2+]C1 ZINC000071397644 188048040 /nfs/dbraw/zinc/04/80/40/188048040.db2.gz CEFCSXJRLPHPSD-MRVPVSSYSA-N 1 0 239.250 1.898 10 5 BDBERO NC(=[NH2+])CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000038081181 181186135 /nfs/dbraw/zinc/18/61/35/181186135.db2.gz OTTJHGGAJWPWBE-UHFFFAOYSA-N 1 0 241.222 1.829 10 5 BDBERO C[NH+]1CCC(n2cnc([N+](=O)[O-])c2)CC1 ZINC000223445079 355899095 /nfs/dbraw/zinc/89/90/95/355899095.db2.gz GWWUXGHFSUUFBD-UHFFFAOYSA-N 1 0 210.237 1.058 10 5 BDBERO CO[C@@H](C[NH3+])[C@@H](OC)c1ccccc1[N+](=O)[O-] ZINC000584608791 358269290 /nfs/dbraw/zinc/26/92/90/358269290.db2.gz MIMIDLVPJQQAFA-QWRGUYRKSA-N 1 0 240.259 1.256 10 5 BDBERO CC(C)[C@@H]([NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584625012 358293542 /nfs/dbraw/zinc/29/35/42/358293542.db2.gz HOWRVPHBCGAMIV-SNVBAGLBSA-N 1 0 222.244 1.761 10 5 BDBERO [NH3+]Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cn1 ZINC000381400335 361394017 /nfs/dbraw/zinc/39/40/17/361394017.db2.gz PXHKMXFDTZXNDQ-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO [NH3+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034979735 181355936 /nfs/dbraw/zinc/35/59/36/181355936.db2.gz FZDAJQSGTUOYIQ-UHFFFAOYSA-N 1 0 229.623 1.145 10 5 BDBERO [NH3+]CCCn1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000020313295 181389091 /nfs/dbraw/zinc/38/90/91/181389091.db2.gz YVKHIWZOUFCPND-UHFFFAOYSA-N 1 0 238.169 1.159 10 5 BDBERO [NH3+]CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000029337157 181398573 /nfs/dbraw/zinc/39/85/73/181398573.db2.gz ULJORSRDDXAXJZ-UHFFFAOYSA-N 1 0 232.243 1.514 10 5 in-vivo BDBERO [NH3+]CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000038081156 181399402 /nfs/dbraw/zinc/39/94/02/181399402.db2.gz DBPYISNUMFMBMQ-UHFFFAOYSA-N 1 0 200.169 1.071 10 5 BDBERO [NH3+]CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000049812110 181399940 /nfs/dbraw/zinc/39/99/40/181399940.db2.gz HUJKWVSBBMFKSS-UHFFFAOYSA-N 1 0 200.169 1.071 10 5 BDBERO [NH3+]C[C@H]1CC[C@@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000675060921 541464288 /nfs/dbraw/zinc/46/42/88/541464288.db2.gz RXPXBRIDPBZFFZ-NXEZZACHSA-N 1 0 236.271 1.816 10 5 BDBERO [NH3+]C[C@]1(CO)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000070500298 181469455 /nfs/dbraw/zinc/46/94/55/181469455.db2.gz WYWSQLSUDMHEAL-QWRGUYRKSA-N 1 0 222.244 1.020 10 5 BDBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000082579362 371010969 /nfs/dbraw/zinc/01/09/69/371010969.db2.gz DMVBHQJUEZGBEF-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO [NH3+][C@H]1CCCc2ccc([N+](=O)[O-])cc2[C@@H]1O ZINC000019795597 371190224 /nfs/dbraw/zinc/19/02/24/371190224.db2.gz SKAPZXGDWMYAFQ-QWRGUYRKSA-N 1 0 222.244 1.292 10 5 BDBERO C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C[NH2+]1 ZINC000600955426 371714503 /nfs/dbraw/zinc/71/45/03/371714503.db2.gz MILLABYMUXCGIS-BQBZGAKWSA-N 1 0 242.304 1.604 10 5 BDBERO O=[N+]([O-])c1cnc(NCC[NH2+]C2CC2)s1 ZINC000226779768 371743258 /nfs/dbraw/zinc/74/32/58/371743258.db2.gz YHPCDMBQNXOBEW-UHFFFAOYSA-N 1 0 228.277 1.215 10 5 BDBERO C[NH2+][C@@H](C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304311652 371777539 /nfs/dbraw/zinc/77/75/39/371777539.db2.gz DBCHHDMGZKKHQP-LURJTMIESA-N 1 0 244.682 1.663 10 5 BDBERO O=[N+]([O-])c1cnc(NC2CC[NH2+]CC2)s1 ZINC000226778973 371742900 /nfs/dbraw/zinc/74/29/00/371742900.db2.gz VUUXLXPMRAEWJO-UHFFFAOYSA-N 1 0 228.277 1.215 10 5 BDBERO [NH3+]Cc1ccc(F)c(Br)c1[N+](=O)[O-] ZINC000307327046 372111057 /nfs/dbraw/zinc/11/10/57/372111057.db2.gz JGZHJCJWYMNYTO-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000034939006 182362860 /nfs/dbraw/zinc/36/28/60/182362860.db2.gz JFBDQUQRCYWIMW-UHFFFAOYSA-N 1 0 249.270 1.533 10 5 BDBERO O=[N+]([O-])c1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326454 182946778 /nfs/dbraw/zinc/94/67/78/182946778.db2.gz PNYPMOQJNPEGKP-JTQLQIEISA-N 1 0 221.260 1.759 10 5 BDBERO C[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000336710603 384254904 /nfs/dbraw/zinc/25/49/04/384254904.db2.gz NCDFEEVUWJHNGI-SECBINFHSA-N 1 0 238.291 1.919 10 5 BDBERO O=[N+]([O-])c1ccc(SC[C@@H]2CCC[NH2+]2)nc1 ZINC000095091975 384829622 /nfs/dbraw/zinc/82/96/22/384829622.db2.gz WXFXEXPCWWEURO-QMMMGPOBSA-N 1 0 239.300 1.834 10 5 BDBERO [NH3+][C@@H](CO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072198299 384810323 /nfs/dbraw/zinc/81/03/23/384810323.db2.gz XKLGTSJJJYBCKD-ZETCQYMHSA-N 1 0 216.624 1.240 10 5 BDBERO O=[N+]([O-])c1cccnc1OC[C@H]1CCCC[NH2+]1 ZINC000051883458 386557854 /nfs/dbraw/zinc/55/78/54/386557854.db2.gz ATLYCHZNABCCKR-SECBINFHSA-N 1 0 237.259 1.511 10 5 BDBERO COc1ccc([C@H]([NH3+])CCF)cc1[N+](=O)[O-] ZINC000575439989 387127829 /nfs/dbraw/zinc/12/78/29/387127829.db2.gz QRKVWUGGOQSWRC-MRVPVSSYSA-N 1 0 228.223 1.963 10 5 BDBERO CCc1cc(C[NH3+])c([N+](=O)[O-])cc1OC ZINC000575724817 387460182 /nfs/dbraw/zinc/46/01/82/387460182.db2.gz DFYVBNXTQQFCPQ-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO C[C@H](C[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000104207222 387503638 /nfs/dbraw/zinc/50/36/38/387503638.db2.gz RQCDIWJUNWKJBC-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH3+])c1 ZINC000087151080 256526277 /nfs/dbraw/zinc/52/62/77/256526277.db2.gz PXASNMQTTYYEEO-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NCC12CC(C1)C[NH2+]2 ZINC000596026860 388400450 /nfs/dbraw/zinc/40/04/50/388400450.db2.gz NILKEDPQIQEQEF-UHFFFAOYSA-N 1 0 248.286 1.462 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H](C)[NH3+] ZINC000091555170 388636081 /nfs/dbraw/zinc/63/60/81/388636081.db2.gz ZHWFEAQOFRNCJU-SSDOTTSWSA-N 1 0 241.295 1.269 10 5 BDBERO CN(C[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cn1 ZINC000095071211 388757499 /nfs/dbraw/zinc/75/74/99/388757499.db2.gz YRJCJSMFAJGNSU-VIFPVBQESA-N 1 0 236.275 1.036 10 5 BDBERO C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055421233 388837738 /nfs/dbraw/zinc/83/77/38/388837738.db2.gz YDKVYMHGTYVMSD-SSDOTTSWSA-N 1 0 223.232 1.141 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1N1CC[NH2+]CC1 ZINC000003716170 132315811 /nfs/dbraw/zinc/31/58/11/132315811.db2.gz HGXYVYNKYQZXMX-UHFFFAOYSA-N 1 0 237.259 1.013 10 5 BDBERO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000041030155 132349006 /nfs/dbraw/zinc/34/90/06/132349006.db2.gz FJNOAEHSZBZJHV-VIFPVBQESA-N 1 0 221.260 1.522 10 5 BDBERO C[C@H]([NH3+])CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149418289 134449567 /nfs/dbraw/zinc/44/95/67/134449567.db2.gz ZAHRQUGQXSMZAS-LURJTMIESA-N 1 0 244.682 1.792 10 5 BDBERO Cc1ccc(N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261542724 135183435 /nfs/dbraw/zinc/18/34/35/135183435.db2.gz CJXFIBXPHDTXGV-NXEZZACHSA-N 1 0 235.287 1.829 10 5 BDBERO Cc1ccc(N2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261544478 135185316 /nfs/dbraw/zinc/18/53/16/135185316.db2.gz YQLQHQTXOVVXEB-VHSXEESVSA-N 1 0 235.287 1.687 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H](C)[NH3+] ZINC000310458853 172137434 /nfs/dbraw/zinc/13/74/34/172137434.db2.gz VFENTRJTKJSFMT-ZETCQYMHSA-N 1 0 241.295 1.269 10 5 BDBERO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000071148267 173370892 /nfs/dbraw/zinc/37/08/92/173370892.db2.gz BWTKWDNGRYNZNO-VIFPVBQESA-N 1 0 236.275 1.036 10 5 BDBERO C[NH2+]C[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000071148436 173371281 /nfs/dbraw/zinc/37/12/81/173371281.db2.gz LCEQPPMXDUEJND-NSHDSACASA-N 1 0 249.314 1.949 10 5 BDBERO C[NH2+]Cc1ccnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000054791166 173391763 /nfs/dbraw/zinc/39/17/63/173391763.db2.gz LQTBYPXHIONBIG-UHFFFAOYSA-N 1 0 244.254 1.771 10 5 BDBERO COCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079321 174332987 /nfs/dbraw/zinc/33/29/87/174332987.db2.gz LEXJGLAFXMSUJS-UHFFFAOYSA-N 1 0 240.259 1.210 10 5 BDBERO COc1ccc(OCCC[NH3+])c([N+](=O)[O-])c1 ZINC000033817846 175172662 /nfs/dbraw/zinc/17/26/62/175172662.db2.gz QKEJCMRSTLVFRP-UHFFFAOYSA-N 1 0 226.232 1.331 10 5 BDBERO C[C@H](C[NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000308994915 176659394 /nfs/dbraw/zinc/65/93/94/176659394.db2.gz PIYASKFZDJKKIB-MRVPVSSYSA-N 1 0 209.249 1.602 10 5 BDBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000320512199 323567363 /nfs/dbraw/zinc/56/73/63/323567363.db2.gz LKPVOMPISZQPSR-HTQZYQBOSA-N 1 0 224.264 1.528 10 5 BDBERO COc1cccc(N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000129717470 324980446 /nfs/dbraw/zinc/98/04/46/324980446.db2.gz MCANXLHWTUCIDZ-ZETCQYMHSA-N 1 0 225.248 1.363 10 5 BDBERO [NH3+]C[C@H]1CC(=O)Nc2c(F)cc([N+](=O)[O-])cc21 ZINC000757175467 582552204 /nfs/dbraw/zinc/55/22/04/582552204.db2.gz HVIDKWLEMLCRRF-RXMQYKEDSA-N 1 0 239.206 1.118 10 5 BDBERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000127328860 590621800 /nfs/dbraw/zinc/62/18/00/590621800.db2.gz YFDOEUOCTLAASS-VHSXEESVSA-N 1 0 235.287 1.768 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300044851 592501859 /nfs/dbraw/zinc/50/18/59/592501859.db2.gz RMKJCLAYECUPAX-MWLCHTKSSA-N 1 0 235.287 1.687 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000311025641 633051576 /nfs/dbraw/zinc/05/15/76/633051576.db2.gz CBSUCSDWULHBJK-GXFFZTMASA-N 1 0 247.298 1.783 10 5 BDBERO CCN(CC[NH3+])c1nc(C)ccc1[N+](=O)[O-] ZINC000165928856 640598784 /nfs/dbraw/zinc/59/87/84/640598784.db2.gz DCXKGNMVIQOASU-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO CN(CCC[NH3+])c1ncc([N+](=O)[O-])cc1Cl ZINC000234297838 642394158 /nfs/dbraw/zinc/39/41/58/642394158.db2.gz RZUUVPZWVNSIIH-UHFFFAOYSA-N 1 0 244.682 1.428 10 5 BDBERO CCN(c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071314129 643126192 /nfs/dbraw/zinc/12/61/92/643126192.db2.gz BVBJYUVCOWYCDN-JTQLQIEISA-N 1 0 235.287 1.783 10 5 BDBERO CN(CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC000709380137 712220571 /nfs/dbraw/zinc/22/05/71/712220571.db2.gz WKQATVMTHHPHMN-UHFFFAOYSA-N 1 0 241.266 1.907 10 5 BDBERO [NH3+]C1CC(CNc2ncc([N+](=O)[O-])s2)C1 ZINC000715114895 712510007 /nfs/dbraw/zinc/51/00/07/712510007.db2.gz ZYRIFRGFRBPCAV-UHFFFAOYSA-N 1 0 228.277 1.201 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000723788440 710730965 /nfs/dbraw/zinc/73/09/65/710730965.db2.gz IDJISMLLYJBIAL-BDAKNGLRSA-N 1 0 236.275 1.257 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000715080918 712507242 /nfs/dbraw/zinc/50/72/42/712507242.db2.gz HUSLBXNWLUDPDE-OCAPTIKFSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000715151623 712512773 /nfs/dbraw/zinc/51/27/73/712512773.db2.gz FAAKYTVMWPIVMP-OCAPTIKFSA-N 1 0 222.248 1.139 10 5 BDBERO CC(C)(C)c1cc2n(n1)C1=NCC[N+]1(C)C=N2 ZINC000002148904 717094730 /nfs/dbraw/zinc/09/47/30/717094730.db2.gz YCLMSDNXVONSGO-UHFFFAOYSA-N 1 0 232.311 1.518 10 5 BDBERO OCC[N@@+]1(Cc2ccccc2)C=NCC1 ZINC000306255393 717182136 /nfs/dbraw/zinc/18/21/36/717182136.db2.gz STBQLGGAMIVYMB-AWEZNQCLSA-N 1 0 205.281 1.038 10 5 BDBERO C[N+](C)(C)CCCCCO[S@@](C)(=O)=S ZINC000105436423 717147640 /nfs/dbraw/zinc/14/76/40/717147640.db2.gz SMGVUUOAPOVBFQ-CQSZACIVSA-N 1 0 240.414 1.171 10 5 BDBERO [NH3+]CC[C@H]1Cc2ccc([N+](=O)[O-])cc2O1 ZINC000685965424 538911943 /nfs/dbraw/zinc/91/19/43/538911943.db2.gz CXGQBEUQXRFHFD-VIFPVBQESA-N 1 0 208.217 1.247 10 5 BDBERO C[C@H](C[NH3+])N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000382995206 398209650 /nfs/dbraw/zinc/20/96/50/398209650.db2.gz JFEWYQJZEWJEBJ-SSDOTTSWSA-N 1 0 249.274 1.255 10 5 BDBERO [NH3+][C@H]1c2cc([N+](=O)[O-])ccc2CCC[C@H]1O ZINC000039941530 361783748 /nfs/dbraw/zinc/78/37/48/361783748.db2.gz ZADSOQHAQJFGCV-MNOVXSKESA-N 1 0 222.244 1.292 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1OC[C@@H]1CCC[NH2+]1 ZINC000052813483 178275345 /nfs/dbraw/zinc/27/53/45/178275345.db2.gz KKEGCBCHSGTMHD-VIFPVBQESA-N 1 0 237.259 1.429 10 5 BDBERO Cc1cnc(N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381576366 344522095 /nfs/dbraw/zinc/52/20/95/344522095.db2.gz IPZVQZYWFHKYOW-YUMQZZPRSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@H]([NH3+])[C@H](C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000381690511 344535501 /nfs/dbraw/zinc/53/55/01/344535501.db2.gz FJZSUOJXEBIXMC-BQBZGAKWSA-N 1 0 249.274 1.041 10 5 BDBERO COc1ccc(CC[N+](C)(C)C)cc1O ZINC000006068126 290759794 /nfs/dbraw/zinc/75/97/94/290759794.db2.gz REIMFKRWHOKOHQ-UHFFFAOYSA-O 1 0 210.297 1.650 10 5 biogenic,in-vitro BDBERO [NH3+]C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000382439057 346182743 /nfs/dbraw/zinc/18/27/43/346182743.db2.gz YOSJOTBUEXGTCC-RQJHMYQMSA-N 1 0 242.304 1.591 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000167267645 346223925 /nfs/dbraw/zinc/22/39/25/346223925.db2.gz SXDJAESNNGGPHJ-UHFFFAOYSA-N 1 0 236.149 1.952 10 5 BDBERO CCN(CC[NH3+])c1ncc(Cl)cc1[N+](=O)[O-] ZINC000165936412 346661103 /nfs/dbraw/zinc/66/11/03/346661103.db2.gz OYZUMURZHAKVBW-UHFFFAOYSA-N 1 0 244.682 1.428 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000596033791 348427886 /nfs/dbraw/zinc/42/78/86/348427886.db2.gz WFYMMCUBLSSADH-QMMMGPOBSA-N 1 0 209.249 1.615 10 5 BDBERO C[NH2+]C[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000596033690 348428104 /nfs/dbraw/zinc/42/81/04/348428104.db2.gz VAMZMJPREJQBLQ-QMMMGPOBSA-N 1 0 239.275 1.623 10 5 BDBERO Cc1nc(NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000124115138 180018780 /nfs/dbraw/zinc/01/87/80/180018780.db2.gz VIEQXBBEVCOQDJ-ZETCQYMHSA-N 1 0 224.264 1.447 10 5 BDBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382431970 350776196 /nfs/dbraw/zinc/77/61/96/350776196.db2.gz RFSHJLVOIKINIS-RKDXNWHRSA-N 1 0 236.275 1.529 10 5 BDBERO Cc1cc(N(C)[C@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000382970065 351120241 /nfs/dbraw/zinc/12/02/41/351120241.db2.gz HNBBAKSVWBMPCB-MRVPVSSYSA-N 1 0 241.266 1.826 10 5 BDBERO C[C@@H]([NH3+])CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772180 363021202 /nfs/dbraw/zinc/02/12/02/363021202.db2.gz JVCCAVXAMBNQKM-ZCFIWIBFSA-N 1 0 235.247 1.230 10 5 BDBERO CCOc1cc(NC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000090289374 363032119 /nfs/dbraw/zinc/03/21/19/363032119.db2.gz SLPGUDAMENASAS-UHFFFAOYSA-N 1 0 237.259 1.377 10 5 BDBERO COc1cccc(NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420218154 192194333 /nfs/dbraw/zinc/19/43/33/192194333.db2.gz OYDHZUHYPGXJIB-QMMMGPOBSA-N 1 0 239.275 1.610 10 5 BDBERO [NH3+]C[C@H]1CCOc2ccc([N+](=O)[O-])cc21 ZINC000675073455 538505783 /nfs/dbraw/zinc/50/57/83/538505783.db2.gz IZIKRJGNXATNCN-SSDOTTSWSA-N 1 0 208.217 1.420 10 5 BDBERO C[NH+](C)CCc1ccc([N+](=O)[O-])c(N)c1 ZINC000584595029 358251832 /nfs/dbraw/zinc/25/18/32/358251832.db2.gz UZTOYRVWKXAVBQ-UHFFFAOYSA-N 1 0 209.249 1.281 10 5 BDBERO [NH2+]=C1Cc2cc([N+](=O)[O-])ccc2C=CN1 ZINC000141375546 181339512 /nfs/dbraw/zinc/33/95/12/181339512.db2.gz VLDISRKUXLDOMW-UHFFFAOYSA-N 1 0 203.201 1.479 10 5 BDBERO [NH3+]CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000019868774 181383455 /nfs/dbraw/zinc/38/34/55/181383455.db2.gz BGSXRJSPUIDZDT-UHFFFAOYSA-N 1 0 213.212 1.495 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000082579255 371009530 /nfs/dbraw/zinc/00/95/30/371009530.db2.gz JIJCYPXROTVIQG-MRVPVSSYSA-N 1 0 209.249 1.744 10 5 BDBERO Cc1cc(N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000132004714 371738739 /nfs/dbraw/zinc/73/87/39/371738739.db2.gz NJCKYTOXRVDODM-NSHDSACASA-N 1 0 235.287 1.831 10 5 BDBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000600951734 371712947 /nfs/dbraw/zinc/71/29/47/371712947.db2.gz MLKRTHCWJZBIFO-VHSXEESVSA-N 1 0 236.275 1.542 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000600961773 371716474 /nfs/dbraw/zinc/71/64/74/371716474.db2.gz WFUBFKCEKPMSMM-MNOVXSKESA-N 1 0 249.314 1.934 10 5 BDBERO O=[N+]([O-])c1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000040434985 373263986 /nfs/dbraw/zinc/26/39/86/373263986.db2.gz ITEVBCJFFPDAJJ-VIFPVBQESA-N 1 0 237.259 1.368 10 5 BDBERO O=[N+]([O-])c1cc(F)cc(N[C@H]2CC[NH2+]C2)c1 ZINC000052093957 182923883 /nfs/dbraw/zinc/92/38/83/182923883.db2.gz IZBFXFLNLBFVSS-QMMMGPOBSA-N 1 0 225.223 1.508 10 5 BDBERO O=[N+]([O-])c1ccc2c(c1Cl)CC[NH2+]CC2 ZINC000029060903 182941563 /nfs/dbraw/zinc/94/15/63/182941563.db2.gz NDFYZOYUHRVRJQ-UHFFFAOYSA-N 1 0 226.663 1.936 10 5 BDBERO C[C@@H](C[NH3+])Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772181 384314250 /nfs/dbraw/zinc/31/42/50/384314250.db2.gz JAYVLFGHTLSKKD-LURJTMIESA-N 1 0 235.247 1.230 10 5 BDBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000320600040 384756095 /nfs/dbraw/zinc/75/60/95/384756095.db2.gz XBXAXCPISAKSSS-JGVFFNPUSA-N 1 0 224.264 1.528 10 5 BDBERO O=[N+]([O-])c1cccc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000051782400 385913201 /nfs/dbraw/zinc/91/32/01/385913201.db2.gz VNMSHEPJLHXUFJ-LLVKDONJSA-N 1 0 222.244 1.473 10 5 BDBERO C[NH+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000103294569 388582440 /nfs/dbraw/zinc/58/24/40/388582440.db2.gz RFYYSGPYUDWKDP-UHFFFAOYSA-N 1 0 210.233 1.535 10 5 BDBERO CN(C[C@H]1CCC[NH2+]1)c1ncccc1[N+](=O)[O-] ZINC000095070949 388757439 /nfs/dbraw/zinc/75/74/39/388757439.db2.gz JIUFEQVJIYSSOT-SECBINFHSA-N 1 0 236.275 1.178 10 5 BDBERO C[C@@H]1[C@H]([NH3+])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000261555824 135196135 /nfs/dbraw/zinc/19/61/35/135196135.db2.gz QCDLBHBDAAHISE-VXNVDRBHSA-N 1 0 239.250 1.660 10 5 BDBERO CC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000037184634 170125559 /nfs/dbraw/zinc/12/55/59/170125559.db2.gz WJTRUEPWZZEUKM-UHFFFAOYSA-N 1 0 216.187 1.983 10 5 BDBERO CC[C@H](Oc1ccc(F)cc1[N+](=O)[O-])C(N)=[NH2+] ZINC000052065418 171591046 /nfs/dbraw/zinc/59/10/46/171591046.db2.gz RWVJWLMQKRQSRI-QMMMGPOBSA-N 1 0 241.222 1.827 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297562 173125316 /nfs/dbraw/zinc/12/53/16/173125316.db2.gz UVSVTOPMBMJZLB-SECBINFHSA-N 1 0 222.248 1.106 10 5 BDBERO C[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034979671 173334079 /nfs/dbraw/zinc/33/40/79/173334079.db2.gz PCZXCUCJGCTDLV-UHFFFAOYSA-N 1 0 243.650 1.406 10 5 BDBERO C[NH2+]CCc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051850816 173361864 /nfs/dbraw/zinc/36/18/64/173361864.db2.gz NPTRXQLRSPYUAN-UHFFFAOYSA-N 1 0 248.242 1.407 10 5 BDBERO C[NH2+]C[C@H]1C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000054588614 173383352 /nfs/dbraw/zinc/38/33/52/173383352.db2.gz JFQWSLMFWGJGIJ-PSASIEDQSA-N 1 0 206.245 1.918 10 5 BDBERO C[NH2+]Cc1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000054855512 173392362 /nfs/dbraw/zinc/39/23/62/173392362.db2.gz NPECIBBLCVDNBI-UHFFFAOYSA-N 1 0 244.254 1.771 10 5 BDBERO C[C@H]([NH3+])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000037476594 176757444 /nfs/dbraw/zinc/75/74/44/176757444.db2.gz IFUKZOFVWLPTHT-ZETCQYMHSA-N 1 0 223.232 1.271 10 5 BDBERO CC(C)[NH2+]CCCNc1ncccc1[N+](=O)[O-] ZINC000561264236 322998289 /nfs/dbraw/zinc/99/82/89/322998289.db2.gz SEPURHBYAMKJTJ-UHFFFAOYSA-N 1 0 238.291 1.790 10 5 BDBERO COc1cccc(N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000394464004 323032079 /nfs/dbraw/zinc/03/20/79/323032079.db2.gz XGJQZWOMBRVKPQ-JGVFFNPUSA-N 1 0 239.275 1.751 10 5 BDBERO Cc1ccc(N[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000082576341 325543182 /nfs/dbraw/zinc/54/31/82/325543182.db2.gz RGMJEXPBBOMCMX-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO COc1cc(N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000082576524 325543360 /nfs/dbraw/zinc/54/33/60/325543360.db2.gz OZHCADQWNINFRW-SSDOTTSWSA-N 1 0 225.248 1.363 10 5 BDBERO C[NH2+][C@@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000261562903 536345031 /nfs/dbraw/zinc/34/50/31/536345031.db2.gz BRZZPSCCWMRYNJ-ZETCQYMHSA-N 1 0 227.239 1.754 10 5 BDBERO C[NH2+][C@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000261562900 536404522 /nfs/dbraw/zinc/40/45/22/536404522.db2.gz BRZZPSCCWMRYNJ-SSDOTTSWSA-N 1 0 227.239 1.754 10 5 BDBERO [NH3+]C[C@H]1CC(=O)Nc2cc(F)c([N+](=O)[O-])cc21 ZINC000757175387 586432998 /nfs/dbraw/zinc/43/29/98/586432998.db2.gz HGCWKEUBVXAISX-RXMQYKEDSA-N 1 0 239.206 1.118 10 5 BDBERO Cc1ccc([N+](=O)[O-])c2c1[C@@H]([NH3+])[C@H](C)O2 ZINC000757175610 586433056 /nfs/dbraw/zinc/43/30/56/586433056.db2.gz BRXCQDSFSHRTNH-RCOVLWMOSA-N 1 0 208.217 1.684 10 5 BDBERO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000116942504 589059455 /nfs/dbraw/zinc/05/94/55/589059455.db2.gz KURWOIZLNWWCDC-JTQLQIEISA-N 1 0 235.287 1.701 10 5 BDBERO [NH3+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC000158470117 631895424 /nfs/dbraw/zinc/89/54/24/631895424.db2.gz GPONWZKTCIALSD-LLVKDONJSA-N 1 0 244.254 1.627 10 5 BDBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000069802653 631987255 /nfs/dbraw/zinc/98/72/55/631987255.db2.gz SBRMAGVDZRVOJC-UHFFFAOYSA-N 1 0 227.239 1.390 10 5 BDBERO C[C@H](CC[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000309450173 632100552 /nfs/dbraw/zinc/10/05/52/632100552.db2.gz ODIXDPLVGXIANB-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO C[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000054053212 635338481 /nfs/dbraw/zinc/33/84/81/635338481.db2.gz KTIZGPNSPGNQFH-SSDOTTSWSA-N 1 0 248.242 1.925 10 5 BDBERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342190131 636328464 /nfs/dbraw/zinc/32/84/64/636328464.db2.gz JVFPJNLEBHXHAX-JGVFFNPUSA-N 1 0 242.250 1.593 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000156376560 640440810 /nfs/dbraw/zinc/44/08/10/640440810.db2.gz BDOGLYCMHAIVKL-MNOVXSKESA-N 1 0 247.298 1.926 10 5 BDBERO CN(c1c(F)cc([N+](=O)[O-])cc1F)C1C[NH2+]C1 ZINC000234268586 641201005 /nfs/dbraw/zinc/20/10/05/641201005.db2.gz DWCKCRBEJNXSLU-UHFFFAOYSA-N 1 0 243.213 1.281 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH3+])n1 ZINC000088036532 641259005 /nfs/dbraw/zinc/25/90/05/641259005.db2.gz LRDKHPWAKYISAV-LURJTMIESA-N 1 0 210.237 1.057 10 5 BDBERO Cc1ccc(N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050249798 643664323 /nfs/dbraw/zinc/66/43/23/643664323.db2.gz IZOZUFMLWAKQGY-SNVBAGLBSA-N 1 0 235.287 1.688 10 5 BDBERO [NH3+]C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000050249897 643664474 /nfs/dbraw/zinc/66/44/74/643664474.db2.gz KEJIEJAFFCCONU-MRVPVSSYSA-N 1 0 239.250 1.519 10 5 BDBERO CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1Cl ZINC000054419423 711726432 /nfs/dbraw/zinc/72/64/32/711726432.db2.gz FRKZVCNBZKKLGT-UHFFFAOYSA-N 1 0 229.667 1.643 10 5 BDBERO Cc1cccc(N[C@@H]2C[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000721858525 711791726 /nfs/dbraw/zinc/79/17/26/711791726.db2.gz DIIZRXGMBJMEHT-MWLCHTKSSA-N 1 0 235.287 1.923 10 5 BDBERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000721869225 711792978 /nfs/dbraw/zinc/79/29/78/711792978.db2.gz XFFLWTDYPLJXDU-VIFPVBQESA-N 1 0 236.275 1.400 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000700743677 712004844 /nfs/dbraw/zinc/00/48/44/712004844.db2.gz HYSVKIZKJMALNB-IONNQARKSA-N 1 0 239.250 1.896 10 5 BDBERO CC(=O)OCc1ccc(C[N+](C)(C)C)cc1 ZINC000005166222 717099569 /nfs/dbraw/zinc/09/95/69/717099569.db2.gz ABALXERNRGILFS-UHFFFAOYSA-N 1 0 222.308 1.956 10 5 BDBERO CC(=O)OCc1ccccc1C[N+](C)(C)C ZINC000005166236 717099605 /nfs/dbraw/zinc/09/96/05/717099605.db2.gz UBZYVWVVDOZXEP-UHFFFAOYSA-N 1 0 222.308 1.956 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH3+] ZINC000336660157 178272796 /nfs/dbraw/zinc/27/27/96/178272796.db2.gz JMPOLNXKFQEFLI-MRVPVSSYSA-N 1 0 223.276 1.910 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)CCC[NH3+] ZINC000310249705 178275013 /nfs/dbraw/zinc/27/50/13/178275013.db2.gz FQTIOAHRUXZSLC-SECBINFHSA-N 1 0 238.291 1.838 10 5 BDBERO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320236103 342732427 /nfs/dbraw/zinc/73/24/27/342732427.db2.gz HXLAOXRWGFNLAW-BDAKNGLRSA-N 1 0 238.291 1.836 10 5 BDBERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320236106 342732464 /nfs/dbraw/zinc/73/24/64/342732464.db2.gz HXLAOXRWGFNLAW-DTWKUNHWSA-N 1 0 238.291 1.836 10 5 BDBERO CCN(CC[NH3+])c1ncc([N+](=O)[O-])cc1Cl ZINC000233458246 342863581 /nfs/dbraw/zinc/86/35/81/342863581.db2.gz BHGNULANDJJHCT-UHFFFAOYSA-N 1 0 244.682 1.428 10 5 BDBERO Cc1cccc(N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000235113724 259341854 /nfs/dbraw/zinc/34/18/54/259341854.db2.gz YYTUENDJCGPLQR-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO O=[N+]([O-])c1sccc1N1CC[NH2+]CC1 ZINC000026423826 343104809 /nfs/dbraw/zinc/10/48/09/343104809.db2.gz CHRRFCQOZLWXSQ-UHFFFAOYSA-N 1 0 213.262 1.066 10 5 BDBERO C[NH2+]CCNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000310316753 343424434 /nfs/dbraw/zinc/42/44/34/343424434.db2.gz VKZCOGZGJRHTKW-UHFFFAOYSA-N 1 0 239.275 1.543 10 5 BDBERO COc1cc(NC2C[NH2+]C2)c([N+](=O)[O-])cc1C ZINC000310247112 343400270 /nfs/dbraw/zinc/40/02/70/343400270.db2.gz CUYWINQYTAVBCU-UHFFFAOYSA-N 1 0 237.259 1.296 10 5 BDBERO [NH3+]C[C@@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000536956686 343652177 /nfs/dbraw/zinc/65/21/77/343652177.db2.gz AGVHSJSSGBEGFU-ONGXEEELSA-N 1 0 222.244 1.426 10 5 BDBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])c(C)n1 ZINC000165932590 344239972 /nfs/dbraw/zinc/23/99/72/344239972.db2.gz ROIFOCWJKIGHJA-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO Cc1ccnc(N[C@@H]2CC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000600957061 344408436 /nfs/dbraw/zinc/40/84/36/344408436.db2.gz KXJYJXXPFRXYGZ-DTWKUNHWSA-N 1 0 236.275 1.461 10 5 BDBERO CC[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000389320019 344441716 /nfs/dbraw/zinc/44/17/16/344441716.db2.gz GHVPGPCNKXKAGI-SECBINFHSA-N 1 0 236.275 1.496 10 5 BDBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000600963103 344860351 /nfs/dbraw/zinc/86/03/51/344860351.db2.gz RXIHVDPCVPAIRZ-IONNQARKSA-N 1 0 239.250 1.660 10 5 BDBERO C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000082575553 345440601 /nfs/dbraw/zinc/44/06/01/345440601.db2.gz OHBUGOFWKOSPOP-ZCFIWIBFSA-N 1 0 213.212 1.493 10 5 BDBERO Cc1cc(N[C@@H](C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000336649944 187305600 /nfs/dbraw/zinc/30/56/00/187305600.db2.gz HELITCHHNQLKJQ-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596033846 348427950 /nfs/dbraw/zinc/42/79/50/348427950.db2.gz WROSTQLUOYWPLT-ZCFIWIBFSA-N 1 0 244.682 1.663 10 5 BDBERO O=[N+]([O-])c1cccc(COC[C@@H]2CCC[NH2+]2)c1 ZINC000051816395 350135587 /nfs/dbraw/zinc/13/55/87/350135587.db2.gz UQAFFUVTBMWNBJ-NSHDSACASA-N 1 0 236.271 1.863 10 5 BDBERO O=[N+]([O-])c1ccc(COC[C@H]2CCC[NH2+]2)cc1 ZINC000051816399 350136636 /nfs/dbraw/zinc/13/66/36/350136636.db2.gz CZFODGICHZAMAR-LLVKDONJSA-N 1 0 236.271 1.863 10 5 BDBERO Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C[NH3+] ZINC000034956952 180328007 /nfs/dbraw/zinc/32/80/07/180328007.db2.gz YSQWAAINJGNWIG-UHFFFAOYSA-N 1 0 246.270 1.856 10 5 BDBERO Cc1nn(C[C@@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000043496240 180390852 /nfs/dbraw/zinc/39/08/52/180390852.db2.gz BOGGXGIQLPRVHQ-VIFPVBQESA-N 1 0 224.264 1.160 10 5 BDBERO [NH3+]C[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382435861 350776321 /nfs/dbraw/zinc/77/63/21/350776321.db2.gz VOXHYKSZHZLKGL-IUCAKERBSA-N 1 0 236.275 1.529 10 5 BDBERO C[C@H](C[NH3+])N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000382975913 351120621 /nfs/dbraw/zinc/12/06/21/351120621.db2.gz KVKIWFIHYJHPSI-ZCFIWIBFSA-N 1 0 244.682 1.427 10 5 BDBERO C[C@H](C[NH3+])N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000382977566 351121318 /nfs/dbraw/zinc/12/13/18/351121318.db2.gz NVEGTFVDMLWVCN-ZCFIWIBFSA-N 1 0 244.682 1.427 10 5 BDBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])nc1 ZINC000063171678 351269919 /nfs/dbraw/zinc/26/99/19/351269919.db2.gz GQCHZDYIMZEYCX-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO C[C@@H]1C[NH2+]CCN1c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725273056 538104529 /nfs/dbraw/zinc/10/45/29/538104529.db2.gz YZQFHXOKDXMEHS-SECBINFHSA-N 1 0 249.270 1.205 10 5 BDBERO Cc1cnc(N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320423279 259440869 /nfs/dbraw/zinc/44/08/69/259440869.db2.gz YEJMWEFEUYLKJW-RKDXNWHRSA-N 1 0 238.291 1.836 10 5 BDBERO [NH3+]C[C@@H]1C[C@@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000675060105 538485886 /nfs/dbraw/zinc/48/58/86/538485886.db2.gz AGVHSJSSGBEGFU-KOLCDFICSA-N 1 0 222.244 1.426 10 5 BDBERO [NH3+]C[C@@H]1C[C@@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000675060282 538485960 /nfs/dbraw/zinc/48/59/60/538485960.db2.gz DQCAIBCECIHFTH-BDAKNGLRSA-N 1 0 222.244 1.426 10 5 BDBERO Cc1cnc(NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000090692662 363560234 /nfs/dbraw/zinc/56/02/34/363560234.db2.gz VLVBPXQLQIPSRF-SECBINFHSA-N 1 0 238.291 1.693 10 5 BDBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000389707892 356906001 /nfs/dbraw/zinc/90/60/01/356906001.db2.gz PYUMRJRWPJFHTB-WCBMZHEXSA-N 1 0 236.275 1.400 10 5 BDBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000130516425 358629820 /nfs/dbraw/zinc/62/98/20/358629820.db2.gz RMAZZOAVRQNTKE-SECBINFHSA-N 1 0 238.291 1.919 10 5 BDBERO CC(C)[C@H]([NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000070010462 359037865 /nfs/dbraw/zinc/03/78/65/359037865.db2.gz RDAKIDUQCOJKEO-SECBINFHSA-N 1 0 223.276 1.990 10 5 BDBERO [NH3+]CCc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000051952499 181411129 /nfs/dbraw/zinc/41/11/29/181411129.db2.gz MOWZUTXLDZXSPY-UHFFFAOYSA-N 1 0 205.217 1.577 10 5 BDBERO O=[N+]([O-])c1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091415555 369407567 /nfs/dbraw/zinc/40/75/67/369407567.db2.gz IDCAHSLAAQCHFC-UHFFFAOYSA-N 1 0 236.271 1.455 10 5 BDBERO Cc1ccc2c(c1)n(O)c1ccc(O)cc1[n+]2=O ZINC000377817454 370991071 /nfs/dbraw/zinc/99/10/71/370991071.db2.gz IUMSMWATCREOIS-UHFFFAOYSA-O 1 0 243.242 1.960 10 5 BDBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000309582095 370231723 /nfs/dbraw/zinc/23/17/23/370231723.db2.gz QROUTCRRTDNTAW-GXSJLCMTSA-N 1 0 222.244 1.065 10 5 BDBERO CC(C)[C@H]([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000070010683 371001819 /nfs/dbraw/zinc/00/18/19/371001819.db2.gz DIXOGQROUFTPOT-MRVPVSSYSA-N 1 0 224.264 1.385 10 5 BDBERO CC[NH2+]CCCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496534 371037154 /nfs/dbraw/zinc/03/71/54/371037154.db2.gz AIALYCZPVBJUGH-UHFFFAOYSA-N 1 0 238.291 1.710 10 5 BDBERO [NH3+][C@@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000129300226 181548285 /nfs/dbraw/zinc/54/82/85/181548285.db2.gz OJJCNBVXAUBLIC-VIFPVBQESA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000063172333 181648216 /nfs/dbraw/zinc/64/82/16/181648216.db2.gz TXDTVHJKTIZIDI-WDEREUQCSA-N 1 0 249.270 1.204 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000600957087 371713586 /nfs/dbraw/zinc/71/35/86/371713586.db2.gz LYTLKOLHOIHTBI-GZMMTYOYSA-N 1 0 221.260 1.757 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000600957806 371714593 /nfs/dbraw/zinc/71/45/93/371714593.db2.gz TXWPAWHNFPASBB-OIBJUYFYSA-N 1 0 239.250 1.896 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000600957366 371714902 /nfs/dbraw/zinc/71/49/02/371714902.db2.gz ORXHLYMGFIUKKA-NTSWFWBYSA-N 1 0 228.277 1.214 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C[NH3+] ZINC000600962034 371716312 /nfs/dbraw/zinc/71/63/12/371716312.db2.gz SZYLPWCJJONHIY-IUCAKERBSA-N 1 0 236.275 1.021 10 5 BDBERO O=C(c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000039081851 372862095 /nfs/dbraw/zinc/86/20/95/372862095.db2.gz GCVRXMVDDSFXFX-UHFFFAOYSA-N 1 0 234.255 1.777 10 5 BDBERO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCC[NH2+]1 ZINC000053255451 182934026 /nfs/dbraw/zinc/93/40/26/182934026.db2.gz SGRJFTFFFGCQQT-SECBINFHSA-N 1 0 239.250 1.898 10 5 BDBERO C[C@H](CC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000309392681 384012852 /nfs/dbraw/zinc/01/28/52/384012852.db2.gz CFWSIMWNYNVGDO-ZCFIWIBFSA-N 1 0 244.682 1.792 10 5 BDBERO Cc1ccnc(N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000070062916 384218655 /nfs/dbraw/zinc/21/86/55/384218655.db2.gz LAUCMRYAKMEKRE-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO Cc1cnc(N[C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000309432469 384228103 /nfs/dbraw/zinc/22/81/03/384228103.db2.gz JTGIMRBHKMLSHK-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO CC[C@H]([NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000084718385 384853258 /nfs/dbraw/zinc/85/32/58/384853258.db2.gz BCYQMDHGDPEUDJ-QMMMGPOBSA-N 1 0 209.249 1.744 10 5 BDBERO [NH3+]CCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000107746167 384999375 /nfs/dbraw/zinc/99/93/75/384999375.db2.gz DXNPBTRGBSRSFD-UHFFFAOYSA-N 1 0 200.625 1.749 10 5 BDBERO CC[NH2+][C@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000395759964 385248533 /nfs/dbraw/zinc/24/85/33/385248533.db2.gz UBGLSQDTAKYJLN-SECBINFHSA-N 1 0 238.291 1.708 10 5 BDBERO C[n+]1c2ccc(N)cc2cc2c(N)cccc21 ZINC000034304391 385276185 /nfs/dbraw/zinc/27/61/85/385276185.db2.gz WZZOHIAUZWAFKK-UHFFFAOYSA-O 1 0 224.287 1.982 10 5 BDBERO CCOc1cc(C[NH3+])c([N+](=O)[O-])c(OCC)c1 ZINC000575721530 387444612 /nfs/dbraw/zinc/44/46/12/387444612.db2.gz NROAZPGIELCYRW-UHFFFAOYSA-N 1 0 240.259 1.851 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH3+])C2)n1 ZINC000162857103 387469588 /nfs/dbraw/zinc/46/95/88/387469588.db2.gz QPIMZVGMOIAKDW-VIFPVBQESA-N 1 0 236.275 1.083 10 5 BDBERO [NH3+][C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000041030318 132223844 /nfs/dbraw/zinc/22/38/44/132223844.db2.gz GJTHDTRLNAXGPB-MRVPVSSYSA-N 1 0 239.250 1.661 10 5 BDBERO Cc1cc(N(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000085258393 134274029 /nfs/dbraw/zinc/27/40/29/134274029.db2.gz SHJCJBXNYWZUTJ-UHFFFAOYSA-N 1 0 221.260 1.311 10 5 BDBERO O=[N+]([O-])c1ccccc1CC[NH2+]C1COC1 ZINC000087195412 135111155 /nfs/dbraw/zinc/11/11/55/135111155.db2.gz UFDBNBKKVZBECT-UHFFFAOYSA-N 1 0 222.244 1.126 10 5 BDBERO C[C@@H]1[C@@H]([NH3+])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000261555821 135196187 /nfs/dbraw/zinc/19/61/87/135196187.db2.gz QCDLBHBDAAHISE-APPZFPTMSA-N 1 0 239.250 1.660 10 5 BDBERO Cc1cc(NC[C@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000092027777 135572043 /nfs/dbraw/zinc/57/20/43/135572043.db2.gz VSRKJWFTTPIAAS-VIFPVBQESA-N 1 0 238.291 1.693 10 5 BDBERO CC[NH2+]CCOCCc1ccccc1[N+](=O)[O-] ZINC000062726772 170116533 /nfs/dbraw/zinc/11/65/33/170116533.db2.gz ODJHMRVUPVZRGT-UHFFFAOYSA-N 1 0 238.287 1.763 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CC[NH3+] ZINC000310464159 172136808 /nfs/dbraw/zinc/13/68/08/172136808.db2.gz YVCGEPKDZZZZIF-SSDOTTSWSA-N 1 0 241.295 1.269 10 5 BDBERO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCC[NH2+]C1 ZINC000104361571 172949099 /nfs/dbraw/zinc/94/90/99/172949099.db2.gz VWJMSVKQULBQFR-VIFPVBQESA-N 1 0 236.275 1.178 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000053580395 173125611 /nfs/dbraw/zinc/12/56/11/173125611.db2.gz PMZBGNZYYJUFRO-SECBINFHSA-N 1 0 239.250 1.850 10 5 BDBERO C[NH2+]C[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000054588584 173383093 /nfs/dbraw/zinc/38/30/93/173383093.db2.gz MIBWJCNUWGYTAE-KOLCDFICSA-N 1 0 206.245 1.918 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CO ZINC000035604863 175201223 /nfs/dbraw/zinc/20/12/23/175201223.db2.gz JQIDZMGBXFIWSQ-MRVPVSSYSA-N 1 0 240.259 1.074 10 5 BDBERO C[C@@H]([NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000037608984 175808042 /nfs/dbraw/zinc/80/80/42/175808042.db2.gz WFMWSJUFPKUHOO-MRVPVSSYSA-N 1 0 246.270 1.875 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000320425907 323565374 /nfs/dbraw/zinc/56/53/74/323565374.db2.gz YNARFSVBJMYVAH-RKDXNWHRSA-N 1 0 238.291 1.836 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH3+])[C@H]1C ZINC000310092249 632700677 /nfs/dbraw/zinc/70/06/77/632700677.db2.gz RZMITRCNUCGXDL-KOLCDFICSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC000158470260 641636184 /nfs/dbraw/zinc/63/61/84/641636184.db2.gz GPONWZKTCIALSD-NSHDSACASA-N 1 0 244.254 1.627 10 5 BDBERO [NH3+][C@H](CCO)c1ccc([N+](=O)[O-])cc1F ZINC000238675332 642832044 /nfs/dbraw/zinc/83/20/44/642832044.db2.gz KLZYTNQGXHHFMI-SECBINFHSA-N 1 0 214.196 1.116 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@H](C)[NH3+] ZINC000309194540 711695067 /nfs/dbraw/zinc/69/50/67/711695067.db2.gz KTYVFJHXQACZDD-VIFPVBQESA-N 1 0 223.276 1.687 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NCC23CC(C2)C[NH2+]3)n1 ZINC000701868356 712030973 /nfs/dbraw/zinc/03/09/73/712030973.db2.gz OZPSUXLRISGRHK-UHFFFAOYSA-N 1 0 248.286 1.462 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000715096021 712508612 /nfs/dbraw/zinc/50/86/12/712508612.db2.gz INFBCHDZEKWXEL-XWEPSHTISA-N 1 0 239.250 1.883 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH3+])c1 ZINC000087544521 259322704 /nfs/dbraw/zinc/32/27/04/259322704.db2.gz VBTCNCAGYRTTHO-SSDOTTSWSA-N 1 0 225.248 1.363 10 5 BDBERO Cc1cccc(N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000234297280 342918456 /nfs/dbraw/zinc/91/84/56/342918456.db2.gz CJLYNJGXAGFPHQ-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO C[NH2+]Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000042355394 187265877 /nfs/dbraw/zinc/26/58/77/187265877.db2.gz DFICWWRJESMFBM-UHFFFAOYSA-N 1 0 246.270 1.808 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[NH2+]C1 ZINC000052093950 187357420 /nfs/dbraw/zinc/35/74/20/187357420.db2.gz XNHWRYSTDGMEQC-SSDOTTSWSA-N 1 0 225.223 1.508 10 5 BDBERO O=[N+]([O-])c1ccc(NC2C[NH2+]C2)c(Cl)c1 ZINC000084417255 344428415 /nfs/dbraw/zinc/42/84/15/344428415.db2.gz CNHCRXSOPMEFJE-UHFFFAOYSA-N 1 0 227.651 1.632 10 5 BDBERO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408309002 344478165 /nfs/dbraw/zinc/47/81/65/344478165.db2.gz KQOPCZPCZUSHAF-MRVPVSSYSA-N 1 0 224.264 1.170 10 5 BDBERO Cc1cnc(N2C[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000600963492 344948893 /nfs/dbraw/zinc/94/88/93/344948893.db2.gz WGNYUVSVSVQRJZ-DTWKUNHWSA-N 1 0 236.275 1.224 10 5 BDBERO [NH3+][C@H](CCO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044232569 344988431 /nfs/dbraw/zinc/98/84/31/344988431.db2.gz NLXWQQHLGYHRAO-MRVPVSSYSA-N 1 0 230.651 1.630 10 5 BDBERO CCN(CC[NH3+])c1ccc(F)cc1[N+](=O)[O-] ZINC000165937020 346661357 /nfs/dbraw/zinc/66/13/57/346661357.db2.gz GICDPUXVTZNKEY-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO CN(CC(C)(C)[NH3+])c1ccc(F)cc1[N+](=O)[O-] ZINC000594693770 348100346 /nfs/dbraw/zinc/10/03/46/348100346.db2.gz UGRATKVMVWIUGS-UHFFFAOYSA-N 1 0 241.266 1.907 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000596031061 348426721 /nfs/dbraw/zinc/42/67/21/348426721.db2.gz UELOHBTWRGDULR-ZETCQYMHSA-N 1 0 227.239 1.754 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000596031785 348427257 /nfs/dbraw/zinc/42/72/57/348427257.db2.gz GDCLZPDKUDUCIA-SSDOTTSWSA-N 1 0 210.237 1.010 10 5 BDBERO C[NH2+]C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000596032188 348427284 /nfs/dbraw/zinc/42/72/84/348427284.db2.gz IOUXGKMUHRBZAN-LURJTMIESA-N 1 0 245.229 1.893 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000596033634 348428096 /nfs/dbraw/zinc/42/80/96/348428096.db2.gz UPRMYOSZFGMYCG-MRVPVSSYSA-N 1 0 224.264 1.318 10 5 BDBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000038051066 349300210 /nfs/dbraw/zinc/30/02/10/349300210.db2.gz MEXHRFHXZDMPIZ-UWVGGRQHSA-N 1 0 236.275 1.672 10 5 BDBERO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382416905 350600317 /nfs/dbraw/zinc/60/03/17/350600317.db2.gz HTYOCNLEMBOQAQ-DTWKUNHWSA-N 1 0 236.275 1.672 10 5 BDBERO COc1cc(N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000382980228 351121418 /nfs/dbraw/zinc/12/14/18/351121418.db2.gz XLHJDIYIQVCGRL-QMMMGPOBSA-N 1 0 239.275 1.387 10 5 BDBERO [NH3+]Cc1cc(F)c([N+](=O)[O-])cc1Br ZINC000306919771 351329441 /nfs/dbraw/zinc/32/94/41/351329441.db2.gz KUEGQYPWSAOOEG-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH3+])c1 ZINC000420209268 192176064 /nfs/dbraw/zinc/17/60/64/192176064.db2.gz BVOIOGTXXCHKTC-QMMMGPOBSA-N 1 0 239.275 1.610 10 5 BDBERO CC(C)C[C@@H](C[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000111830280 188011533 /nfs/dbraw/zinc/01/15/33/188011533.db2.gz PRHHXEPLVBFVHH-QMMMGPOBSA-N 1 0 241.295 1.114 10 5 BDBERO [NH3+]CC[C@@H](Nc1ccccc1[N+](=O)[O-])C(F)F ZINC000383502245 353582500 /nfs/dbraw/zinc/58/25/00/353582500.db2.gz ZYXOZLQDFMRENQ-MRVPVSSYSA-N 1 0 245.229 1.989 10 5 BDBERO NC(=[NH2+])CCCOc1ccc([N+](=O)[O-])cc1F ZINC000038082067 181186554 /nfs/dbraw/zinc/18/65/54/181186554.db2.gz MUHTYMFMODDJCI-UHFFFAOYSA-N 1 0 241.222 1.829 10 5 BDBERO CC[C@@H]([NH3+])CNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036543 356431090 /nfs/dbraw/zinc/43/10/90/356431090.db2.gz DXFFWPWCBLONEM-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1cc(N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000384795268 356750772 /nfs/dbraw/zinc/75/07/72/356750772.db2.gz WNJDQTJJWWNIMT-UHFFFAOYSA-N 1 0 235.287 1.829 10 5 BDBERO O=[N+]([O-])c1ccc(-[n+]2ccccc2)cc1 ZINC000006473482 359315891 /nfs/dbraw/zinc/31/58/91/359315891.db2.gz TWOOHHXIRWMPRV-UHFFFAOYSA-N 1 0 201.205 1.872 10 5 BDBERO CCc1nn(C)c(NC[C@H]([NH3+])CC)c1[N+](=O)[O-] ZINC000091560500 360119832 /nfs/dbraw/zinc/11/98/32/360119832.db2.gz KNMMUJMYCMVYJG-SSDOTTSWSA-N 1 0 241.295 1.040 10 5 BDBERO [NH3+]C1CC(Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000036268781 181340641 /nfs/dbraw/zinc/34/06/41/181340641.db2.gz ITZLULJPVSWMCP-UHFFFAOYSA-N 1 0 225.223 1.636 10 5 BDBERO [NH3+]CCNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053162580 181396035 /nfs/dbraw/zinc/39/60/35/181396035.db2.gz NMGFRPCEDINWLI-UHFFFAOYSA-N 1 0 217.175 1.244 10 5 BDBERO C[C@@H]([NH3+])CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081590621 370901773 /nfs/dbraw/zinc/90/17/73/370901773.db2.gz JGFOXVHPTDMOQK-SSDOTTSWSA-N 1 0 247.258 1.297 10 5 BDBERO C[C@H]([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000082584547 371012634 /nfs/dbraw/zinc/01/26/34/371012634.db2.gz KCRAVOBJYYQAEY-LURJTMIESA-N 1 0 213.212 1.493 10 5 BDBERO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600961251 371716234 /nfs/dbraw/zinc/71/62/34/371716234.db2.gz OLBRVOAFICEXDW-ZJUUUORDSA-N 1 0 235.287 1.626 10 5 BDBERO Nc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000037483205 181802563 /nfs/dbraw/zinc/80/25/63/181802563.db2.gz ZVBSNIFSCONBJY-UHFFFAOYSA-N 1 0 218.216 1.422 10 5 BDBERO CC[NH2+]CCOc1cc([N+](=O)[O-])ccc1OC ZINC000020525343 170116345 /nfs/dbraw/zinc/11/63/45/170116345.db2.gz OFEVKUATPAHUPW-UHFFFAOYSA-N 1 0 240.259 1.592 10 5 BDBERO O=[N+]([O-])c1cccnc1SC[C@H]1CCC[NH2+]1 ZINC000095091910 182954933 /nfs/dbraw/zinc/95/49/33/182954933.db2.gz MZCODAWANCZQIO-MRVPVSSYSA-N 1 0 239.300 1.834 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)CCC[NH3+])n1 ZINC000227749777 259633787 /nfs/dbraw/zinc/63/37/87/259633787.db2.gz ZHXPBLXTHDNYKA-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000336718527 384256163 /nfs/dbraw/zinc/25/61/63/384256163.db2.gz YOWBOBUJZZIHGW-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO Cc1nc(N[C@@H]2CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000600957668 384315661 /nfs/dbraw/zinc/31/56/61/384315661.db2.gz SFGREPRDSYWGEP-IONNQARKSA-N 1 0 236.275 1.461 10 5 BDBERO O=[N+]([O-])c1ccc2oc(N3CC[NH2+]CC3)nc2c1 ZINC000083253835 384367521 /nfs/dbraw/zinc/36/75/21/384367521.db2.gz CGEMKFRCLMWXPU-UHFFFAOYSA-N 1 0 248.242 1.146 10 5 BDBERO C[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000235470783 384413395 /nfs/dbraw/zinc/41/33/95/384413395.db2.gz RRQXOHGHPRWKDF-RXMQYKEDSA-N 1 0 230.655 1.402 10 5 BDBERO [NH3+]CCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000096879607 384481934 /nfs/dbraw/zinc/48/19/34/384481934.db2.gz UYKLCUXEROJOLW-UHFFFAOYSA-N 1 0 245.076 1.859 10 5 BDBERO CCOc1cc(C[NH3+])c(OCC)c([N+](=O)[O-])c1 ZINC000575721276 387443394 /nfs/dbraw/zinc/44/33/94/387443394.db2.gz HTLOGGGXAYJZGD-UHFFFAOYSA-N 1 0 240.259 1.851 10 5 BDBERO COc1cc(N[C@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860284 388371485 /nfs/dbraw/zinc/37/14/85/388371485.db2.gz LINVSZLLKRWTNP-ZCFIWIBFSA-N 1 0 243.238 1.502 10 5 BDBERO [NH3+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000115366867 388695153 /nfs/dbraw/zinc/69/51/53/388695153.db2.gz PTQLBJPXFPKLKN-UHFFFAOYSA-N 1 0 231.049 1.816 10 5 BDBERO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000116942513 388718710 /nfs/dbraw/zinc/71/87/10/388718710.db2.gz PWQNQRVECCCFRR-SNVBAGLBSA-N 1 0 235.287 1.701 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])C2)n1 ZINC000162854907 132233599 /nfs/dbraw/zinc/23/35/99/132233599.db2.gz XBWMEBJLYXNQJF-VIFPVBQESA-N 1 0 236.275 1.226 10 5 BDBERO O=[N+]([O-])c1ccc(F)c(F)c1N1CC[NH2+]CC1 ZINC000053162227 132362879 /nfs/dbraw/zinc/36/28/79/132362879.db2.gz KLVVHCIUJXUUEX-UHFFFAOYSA-N 1 0 243.213 1.283 10 5 BDBERO Cc1ccc(N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261542725 135183006 /nfs/dbraw/zinc/18/30/06/135183006.db2.gz CJXFIBXPHDTXGV-UWVGGRQHSA-N 1 0 235.287 1.829 10 5 BDBERO CCN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071314188 169945464 /nfs/dbraw/zinc/94/54/64/169945464.db2.gz OENKPXAOGNSIJU-SECBINFHSA-N 1 0 236.275 1.178 10 5 BDBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cn1 ZINC000038043495 170112637 /nfs/dbraw/zinc/11/26/37/170112637.db2.gz SAHJJSJDHZPGJE-UHFFFAOYSA-N 1 0 224.264 1.401 10 5 BDBERO CC[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000047864646 170131351 /nfs/dbraw/zinc/13/13/51/170131351.db2.gz CLYLBOXJYYVNKP-UHFFFAOYSA-N 1 0 248.242 1.754 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000042291705 173126613 /nfs/dbraw/zinc/12/66/13/173126613.db2.gz OFABCYDVPQCBFY-SECBINFHSA-N 1 0 221.260 1.711 10 5 BDBERO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000071148269 173381792 /nfs/dbraw/zinc/38/17/92/173381792.db2.gz BWTKWDNGRYNZNO-SECBINFHSA-N 1 0 236.275 1.036 10 5 BDBERO C[NH2+]C[C@H]1C[C@H]1c1csc([N+](=O)[O-])c1 ZINC000054589015 173383583 /nfs/dbraw/zinc/38/35/83/173383583.db2.gz LBPPHVPSKOFKFC-HTRCEHHLSA-N 1 0 212.274 1.979 10 5 BDBERO C[NH2+]Cc1cnc(-c2ccccc2[N+](=O)[O-])[nH]1 ZINC000062820898 173385311 /nfs/dbraw/zinc/38/53/11/173385311.db2.gz ZHFPVQOWWKBPNK-UHFFFAOYSA-N 1 0 232.243 1.704 10 5 BDBERO C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1 ZINC000006481827 173387383 /nfs/dbraw/zinc/38/73/83/173387383.db2.gz OLZHZVFRPFXSHG-UHFFFAOYSA-N 1 0 200.625 1.968 10 5 BDBERO C[NH2+]Cc1ccnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054791171 173391420 /nfs/dbraw/zinc/39/14/20/173391420.db2.gz NQDPZKUZUUFIKJ-UHFFFAOYSA-N 1 0 244.254 1.771 10 5 BDBERO COCCC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308212 174246789 /nfs/dbraw/zinc/24/67/89/174246789.db2.gz PEEPPJSFFFTGFN-UHFFFAOYSA-N 1 0 242.250 1.860 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCO ZINC000035114930 175200710 /nfs/dbraw/zinc/20/07/10/175200710.db2.gz HEDPTZUTKJLFRG-UHFFFAOYSA-N 1 0 240.259 1.075 10 5 BDBERO C[C@@H](C[NH3+])COc1c(F)cccc1[N+](=O)[O-] ZINC000075880641 175708318 /nfs/dbraw/zinc/70/83/18/175708318.db2.gz MKPSALLNYPOJBZ-ZETCQYMHSA-N 1 0 228.223 1.708 10 5 BDBERO C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000400459740 226344009 /nfs/dbraw/zinc/34/40/09/226344009.db2.gz RCPXMGBBSYIJLG-WDEREUQCSA-N 1 0 249.314 1.682 10 5 BDBERO CC[NH2+]CCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162853309 324126922 /nfs/dbraw/zinc/12/69/22/324126922.db2.gz TXOBZBFKQAMESH-UHFFFAOYSA-N 1 0 238.291 1.710 10 5 BDBERO CC[NH2+]CCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000092027538 325696238 /nfs/dbraw/zinc/69/62/38/325696238.db2.gz KVKCVPXPWHSPRX-UHFFFAOYSA-N 1 0 238.291 1.710 10 5 BDBERO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000116942494 589059482 /nfs/dbraw/zinc/05/94/82/589059482.db2.gz UVCBKVIFDNGRNQ-QMMMGPOBSA-N 1 0 239.250 1.532 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000300049244 592501813 /nfs/dbraw/zinc/50/18/13/592501813.db2.gz QVTONLILKWKFAZ-GMSGAONNSA-N 1 0 239.250 1.517 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000235364092 632678114 /nfs/dbraw/zinc/67/81/14/632678114.db2.gz QVTONLILKWKFAZ-XCBNKYQSSA-N 1 0 239.250 1.517 10 5 BDBERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000311080146 633062572 /nfs/dbraw/zinc/06/25/72/633062572.db2.gz LTAKTVWZWYYMPI-ZWKOPEQDSA-N 1 0 247.298 1.768 10 5 BDBERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000311080144 633063884 /nfs/dbraw/zinc/06/38/84/633063884.db2.gz LTAKTVWZWYYMPI-TVYUQYBPSA-N 1 0 247.298 1.768 10 5 BDBERO Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000209508038 639406228 /nfs/dbraw/zinc/40/62/28/639406228.db2.gz LCIGMCSPMBNVCV-MFKMUULPSA-N 1 0 247.298 1.701 10 5 BDBERO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000071148193 643102753 /nfs/dbraw/zinc/10/27/53/643102753.db2.gz RSLGETBKZLKQIH-NSHDSACASA-N 1 0 249.314 1.949 10 5 BDBERO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050244031 643657747 /nfs/dbraw/zinc/65/77/47/643657747.db2.gz NLOOGBOCNJJCCO-SSDOTTSWSA-N 1 0 241.678 1.786 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000721897461 710689690 /nfs/dbraw/zinc/68/96/90/710689690.db2.gz KGKTUZICCTWNCK-PHDIDXHHSA-N 1 0 228.277 1.071 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708853106 712201528 /nfs/dbraw/zinc/20/15/28/712201528.db2.gz DFODNFGXCAHRCD-WDEREUQCSA-N 1 0 249.314 1.934 10 5 BDBERO C[C@H]1CCC[C@H](C[N+]23CCN(CC2)CC3)C1 ZINC000092197658 717138109 /nfs/dbraw/zinc/13/81/09/717138109.db2.gz FJUVFQHINURALD-KBPBESRZSA-N 1 0 223.384 1.959 10 5 BDBERO C[N+](C)(C)CCCCCO[S@](C)(=O)=S ZINC000105436425 717147769 /nfs/dbraw/zinc/14/77/69/717147769.db2.gz SMGVUUOAPOVBFQ-AWEZNQCLSA-N 1 0 240.414 1.171 10 5 BDBERO [NH3+][C@H]1c2cc([N+](=O)[O-])ccc2CCC[C@@H]1O ZINC000039941532 361783851 /nfs/dbraw/zinc/78/38/51/361783851.db2.gz ZADSOQHAQJFGCV-QWRGUYRKSA-N 1 0 222.244 1.292 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)[NH3+] ZINC000035222880 178272220 /nfs/dbraw/zinc/27/22/20/178272220.db2.gz YOVULAPWQKEWHG-ZETCQYMHSA-N 1 0 223.232 1.189 10 5 BDBERO Cc1ccnc(N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320012271 342731302 /nfs/dbraw/zinc/73/13/02/342731302.db2.gz AEYPNLSTHQEEIA-DTWKUNHWSA-N 1 0 238.291 1.836 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H](C)[NH3+] ZINC000394463838 342799720 /nfs/dbraw/zinc/79/97/20/342799720.db2.gz XEHVMCCZGVKORI-NKWVEPMBSA-N 1 0 241.295 1.267 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000600960254 344020159 /nfs/dbraw/zinc/02/01/59/344020159.db2.gz CDEWNZXZHLPLMJ-GHMZBOCLSA-N 1 0 249.314 1.934 10 5 BDBERO [NH3+][C@H](CCO)c1csc([N+](=O)[O-])c1 ZINC000044234504 343496060 /nfs/dbraw/zinc/49/60/60/343496060.db2.gz HFGRKLNBJYPXEL-ZCFIWIBFSA-N 1 0 202.235 1.039 10 5 BDBERO COc1ccc(CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000168490174 343617554 /nfs/dbraw/zinc/61/75/54/343617554.db2.gz VRANYOBZMJBUKL-UHFFFAOYSA-N 1 0 224.260 1.708 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH3+] ZINC000381335979 344496315 /nfs/dbraw/zinc/49/63/15/344496315.db2.gz CXVGAGHUJYJAIV-RNFRBKRXSA-N 1 0 241.295 1.267 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)[NH3+] ZINC000381335977 344496418 /nfs/dbraw/zinc/49/64/18/344496418.db2.gz CXVGAGHUJYJAIV-BQBZGAKWSA-N 1 0 241.295 1.267 10 5 BDBERO Cc1ccnc(N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381591372 344524454 /nfs/dbraw/zinc/52/44/54/344524454.db2.gz LMVBEFSOQLGJSY-SFYZADRCSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](C)[NH3+] ZINC000381678566 344534662 /nfs/dbraw/zinc/53/46/62/344534662.db2.gz CTDZONISUMBBQF-NKWVEPMBSA-N 1 0 210.237 1.137 10 5 BDBERO Cc1ccc(NC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000037029688 178724066 /nfs/dbraw/zinc/72/40/66/178724066.db2.gz GMAWTFNAKSDDRH-UHFFFAOYSA-N 1 0 223.232 1.191 10 5 BDBERO Cc1cnc(N2C[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000600963493 344949004 /nfs/dbraw/zinc/94/90/04/344949004.db2.gz WGNYUVSVSVQRJZ-IUCAKERBSA-N 1 0 236.275 1.224 10 5 BDBERO COc1ccc([C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC000044257977 344994176 /nfs/dbraw/zinc/99/41/76/344994176.db2.gz ZHLVJLBKUVMKKA-MRVPVSSYSA-N 1 0 208.217 1.638 10 5 BDBERO N[C@H](CF)c1cc([O-])ccc1[N+](=O)[O-] ZINC000238684417 345109458 /nfs/dbraw/zinc/10/94/58/345109458.db2.gz UBEDCZTWOSGFPH-SSDOTTSWSA-N 1 0 200.169 1.270 10 5 BDBERO Cc1cc(NC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000082575520 345440845 /nfs/dbraw/zinc/44/08/45/345440845.db2.gz OJEJTDILVHPNRW-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO C[NH2+]C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000596033287 348427879 /nfs/dbraw/zinc/42/78/79/348427879.db2.gz SVAZLZCLRXEMPH-QMMMGPOBSA-N 1 0 224.264 1.318 10 5 BDBERO CC(=O)O[C@@H]1CC[N+](C)(Cc2ccccc2)C1 ZINC000001569143 190972215 /nfs/dbraw/zinc/97/22/15/190972215.db2.gz PANOIMCJTIWCAF-GICMACPYSA-N 1 0 234.319 1.969 10 5 BDBERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000052395596 350994680 /nfs/dbraw/zinc/99/46/80/350994680.db2.gz STVKLMYSDKDCGC-MRVPVSSYSA-N 1 0 237.259 1.450 10 5 BDBERO Cc1cc(N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000383001226 351162754 /nfs/dbraw/zinc/16/27/54/351162754.db2.gz SSCZARAIIOCXDK-SECBINFHSA-N 1 0 223.276 1.687 10 5 BDBERO [NH3+]Cc1cc(F)cc([N+](=O)[O-])c1Br ZINC000307138892 351495380 /nfs/dbraw/zinc/49/53/80/351495380.db2.gz CFYLKJIHIYRJHL-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCCOC)c1 ZINC000050516835 187953801 /nfs/dbraw/zinc/95/38/01/187953801.db2.gz CFIMUNVDCHDHTR-UHFFFAOYSA-N 1 0 240.259 1.339 10 5 BDBERO [NH3+]CC[C@H](Nc1ccc([N+](=O)[O-])nc1)C(F)F ZINC000383461511 353160798 /nfs/dbraw/zinc/16/07/98/353160798.db2.gz OXVOBIAOBYPETA-ZETCQYMHSA-N 1 0 246.217 1.384 10 5 BDBERO [NH3+]CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)C(F)F ZINC000383461509 353160977 /nfs/dbraw/zinc/16/09/77/353160977.db2.gz OXVOBIAOBYPETA-SSDOTTSWSA-N 1 0 246.217 1.384 10 5 BDBERO [NH3+]C[C@@H]1CCOc2ccc([N+](=O)[O-])cc21 ZINC000675073457 538505945 /nfs/dbraw/zinc/50/59/45/538505945.db2.gz IZIKRJGNXATNCN-ZETCQYMHSA-N 1 0 208.217 1.420 10 5 BDBERO Cc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1C[NH2+]CCN21 ZINC000584619310 358285669 /nfs/dbraw/zinc/28/56/69/358285669.db2.gz URLBGMJETVSEPB-SNVBAGLBSA-N 1 0 247.298 1.628 10 5 BDBERO [NH3+]CC1(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000404701770 360876544 /nfs/dbraw/zinc/87/65/44/360876544.db2.gz ZBAPAMXLZVSSMJ-UHFFFAOYSA-N 1 0 236.275 1.531 10 5 BDBERO O=[N+]([O-])c1ccccc1COC1CC[NH2+]CC1 ZINC000037390664 363953779 /nfs/dbraw/zinc/95/37/79/363953779.db2.gz AUXSARHDXBBSAF-UHFFFAOYSA-N 1 0 236.271 1.863 10 5 BDBERO [NH3+]C[C@@H]1CC[C@@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000675060443 541463483 /nfs/dbraw/zinc/46/34/83/541463483.db2.gz HJJIYUDUKGVJJF-PWSUYJOCSA-N 1 0 236.271 1.816 10 5 BDBERO O=[N+]([O-])c1ccccc1SC1C[NH2+]C1 ZINC000054931793 368625840 /nfs/dbraw/zinc/62/58/40/368625840.db2.gz VCZGPJFUUMGLTH-UHFFFAOYSA-N 1 0 210.258 1.659 10 5 BDBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000387603825 368979479 /nfs/dbraw/zinc/97/94/79/368979479.db2.gz WSEGKRGIPWSZKY-MRVPVSSYSA-N 1 0 238.291 1.130 10 5 BDBERO Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)ncc1[N+](=O)[O-] ZINC000600957607 371713378 /nfs/dbraw/zinc/71/33/78/371713378.db2.gz QBGGIECFRXVMSI-DTWKUNHWSA-N 1 0 236.275 1.461 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000600962183 371716373 /nfs/dbraw/zinc/71/63/73/371716373.db2.gz ANAKMSAQEYPTFW-ZJUUUORDSA-N 1 0 235.287 1.829 10 5 BDBERO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000601327388 371747536 /nfs/dbraw/zinc/74/75/36/371747536.db2.gz UXMUHUVXZHHQKM-JQWIXIFHSA-N 1 0 249.314 1.621 10 5 BDBERO [NH3+]Cc1nccc([N+](=O)[O-])c1OC(F)(F)F ZINC000381210159 374043859 /nfs/dbraw/zinc/04/38/59/374043859.db2.gz DRLKHHUKLPPJMW-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO O=[N+]([O-])c1ccnc(NC[C@@H]2CCC[NH2+]2)c1 ZINC000053254974 182954552 /nfs/dbraw/zinc/95/45/52/182954552.db2.gz UBUSXAHYARAEIG-QMMMGPOBSA-N 1 0 222.248 1.154 10 5 BDBERO O=[N+]([O-])c1cnccc1OC[C@@H]1CCC[NH2+]1 ZINC000051866292 182960284 /nfs/dbraw/zinc/96/02/84/182960284.db2.gz JJFYNZPVHYBQQU-QMMMGPOBSA-N 1 0 223.232 1.121 10 5 BDBERO N[C@H](C[NH3+])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072200903 384814614 /nfs/dbraw/zinc/81/46/14/384814614.db2.gz XDNPGEIZDGFBCP-SSDOTTSWSA-N 1 0 215.640 1.207 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH3+])c1 ZINC000336684618 385106972 /nfs/dbraw/zinc/10/69/72/385106972.db2.gz SWSNUMJTHYJIOZ-SECBINFHSA-N 1 0 223.276 1.910 10 5 BDBERO CC[C@@H]([NH3+])CNc1ncc(C)cc1[N+](=O)[O-] ZINC000085427029 385175968 /nfs/dbraw/zinc/17/59/68/385175968.db2.gz IDMIXKRREYDDMD-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO C[C@@H](C[NH3+])N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000382995208 385818263 /nfs/dbraw/zinc/81/82/63/385818263.db2.gz JFEWYQJZEWJEBJ-ZETCQYMHSA-N 1 0 249.274 1.255 10 5 BDBERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000307447643 386657765 /nfs/dbraw/zinc/65/77/65/386657765.db2.gz YCDVEIJKGWXKAH-RFZPGFLSSA-N 1 0 216.266 1.199 10 5 BDBERO [NH3+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000038538349 388404857 /nfs/dbraw/zinc/40/48/57/388404857.db2.gz XHIHORXRWODQHL-UHFFFAOYSA-N 1 0 231.049 1.816 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000095070556 388757736 /nfs/dbraw/zinc/75/77/36/388757736.db2.gz MJQBNWKUDDIDHU-VIFPVBQESA-N 1 0 236.275 1.178 10 5 BDBERO O=[N+]([O-])c1ccc(SC[C@H]2CC[NH2+]C2)nc1 ZINC000095091978 388759819 /nfs/dbraw/zinc/75/98/19/388759819.db2.gz DFQQIYPPEKRACF-QMMMGPOBSA-N 1 0 239.300 1.691 10 5 BDBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000070010673 134906558 /nfs/dbraw/zinc/90/65/58/134906558.db2.gz BIVPYOUXTOAOHZ-SECBINFHSA-N 1 0 224.264 1.385 10 5 BDBERO CCN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000336889496 170011843 /nfs/dbraw/zinc/01/18/43/170011843.db2.gz GFLCSXFIPYVWLE-GFCCVEGCSA-N 1 0 249.314 1.779 10 5 BDBERO CC[NH2+]CCCOc1ccccc1[N+](=O)[O-] ZINC000020525225 170112296 /nfs/dbraw/zinc/11/22/96/170112296.db2.gz MASOEOQLGWCCKW-UHFFFAOYSA-N 1 0 224.260 1.973 10 5 BDBERO CC[NH2+]C[C@@H](O)Cc1ccccc1[N+](=O)[O-] ZINC000071531579 170119184 /nfs/dbraw/zinc/11/91/84/170119184.db2.gz LTTLJCXOQTUAPS-JTQLQIEISA-N 1 0 224.260 1.108 10 5 BDBERO CC(C)[NH2+]CCCNc1ncc([N+](=O)[O-])cn1 ZINC000515145991 412299604 /nfs/dbraw/zinc/29/96/04/412299604.db2.gz IPOPBICPHBCIOP-UHFFFAOYSA-N 1 0 239.279 1.185 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2cccc([N+](=O)[O-])c2)C1 ZINC000042548063 173156682 /nfs/dbraw/zinc/15/66/82/173156682.db2.gz INJLTDFBQIKDJK-JTQLQIEISA-N 1 0 221.260 1.711 10 5 BDBERO C[NH2+]CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000047864640 173332692 /nfs/dbraw/zinc/33/26/92/173332692.db2.gz AXDCGVGEOOCTEZ-UHFFFAOYSA-N 1 0 237.259 1.370 10 5 BDBERO C[NH2+]Cc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000054719153 173394078 /nfs/dbraw/zinc/39/40/78/173394078.db2.gz SKTZJUAMYKKJAG-UHFFFAOYSA-N 1 0 246.270 1.559 10 5 BDBERO COCCCOc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000037753397 174257004 /nfs/dbraw/zinc/25/70/04/174257004.db2.gz RCCXPDKSZUPVJP-UHFFFAOYSA-N 1 0 240.259 1.469 10 5 BDBERO COc1ccc(N[C@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000036268004 175156181 /nfs/dbraw/zinc/15/61/81/175156181.db2.gz LDYIPNVMCVDWIX-APPZFPTMSA-N 1 0 223.232 1.115 10 5 BDBERO C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000111302847 323158634 /nfs/dbraw/zinc/15/86/34/323158634.db2.gz ZXPNCLXBFWDIDI-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000320512201 323567735 /nfs/dbraw/zinc/56/77/35/323567735.db2.gz LKPVOMPISZQPSR-JGVFFNPUSA-N 1 0 224.264 1.528 10 5 BDBERO Cc1cc([N+](=O)[O-])cc2c1O[C@H](C)[C@H]2[NH3+] ZINC000757175667 586433093 /nfs/dbraw/zinc/43/30/93/586433093.db2.gz GEWQGRZNUROULR-HZGVNTEJSA-N 1 0 208.217 1.684 10 5 BDBERO Cc1ccc([N+](=O)[O-])c2c1[C@@H]([NH3+])[C@@H](C)O2 ZINC000757175608 586433237 /nfs/dbraw/zinc/43/32/37/586433237.db2.gz BRXCQDSFSHRTNH-MUWHJKNJSA-N 1 0 208.217 1.684 10 5 BDBERO C[C@@H](CC[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000309450174 632100379 /nfs/dbraw/zinc/10/03/79/632100379.db2.gz ODIXDPLVGXIANB-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO C[NH2+]CCc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051850810 635344176 /nfs/dbraw/zinc/34/41/76/635344176.db2.gz KLDRWDUVGYIOKM-UHFFFAOYSA-N 1 0 248.242 1.407 10 5 BDBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000342190132 636328738 /nfs/dbraw/zinc/32/87/38/636328738.db2.gz JVFPJNLEBHXHAX-SFYZADRCSA-N 1 0 242.250 1.593 10 5 BDBERO CCN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[NH2+]C1 ZINC000071314351 643124758 /nfs/dbraw/zinc/12/47/58/643124758.db2.gz OPXMOTKGAKLOOU-JTQLQIEISA-N 1 0 236.275 1.178 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000723790292 711537297 /nfs/dbraw/zinc/53/72/97/711537297.db2.gz VTMSSAXNYHSEQF-ZJUUUORDSA-N 1 0 235.287 1.862 10 5 BDBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1F ZINC000702639885 712057778 /nfs/dbraw/zinc/05/77/78/712057778.db2.gz URONLFNADXJRBN-YUMQZZPRSA-N 1 0 239.250 1.660 10 5 BDBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1F ZINC000702639883 712058054 /nfs/dbraw/zinc/05/80/54/712058054.db2.gz URONLFNADXJRBN-JGVFFNPUSA-N 1 0 239.250 1.660 10 5 BDBERO CC1(C)CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1[NH3+] ZINC000720829090 712389722 /nfs/dbraw/zinc/38/97/22/712389722.db2.gz UVUNIEWBEHOHCX-SECBINFHSA-N 1 0 236.275 1.163 10 5 BDBERO [NH3+]C1CC(CNc2ncccc2[N+](=O)[O-])C1 ZINC000715085647 712507544 /nfs/dbraw/zinc/50/75/44/712507544.db2.gz JQXIUOUFHMKRPA-UHFFFAOYSA-N 1 0 222.248 1.139 10 5 BDBERO Cc1nc(NC[C@H]2C[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715094399 712508193 /nfs/dbraw/zinc/50/81/93/712508193.db2.gz SHVWCVMWECPGIK-KYZUINATSA-N 1 0 236.275 1.447 10 5 BDBERO CC1(C)CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH3+] ZINC000720829091 712868687 /nfs/dbraw/zinc/86/86/87/712868687.db2.gz UVUNIEWBEHOHCX-VIFPVBQESA-N 1 0 236.275 1.163 10 5 BDBERO CC1(C)CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000720821234 712869019 /nfs/dbraw/zinc/86/90/19/712869019.db2.gz ZECFTUHEANZWLU-LLVKDONJSA-N 1 0 235.287 1.768 10 5 BDBERO C=CC(=O)O[C@H](C)C[N+](C)(CC)CC ZINC000038644582 717126041 /nfs/dbraw/zinc/12/60/41/717126041.db2.gz NNGYYZNYIFAELU-SNVBAGLBSA-N 1 0 200.302 1.591 10 5 BDBERO Cc1cccc(C(=O)OCC[N+](C)(C)C)c1 ZINC000003650054 717097278 /nfs/dbraw/zinc/09/72/78/717097278.db2.gz QSENSSPUMHHTQK-UHFFFAOYSA-N 1 0 222.308 1.858 10 5 BDBERO Fc1ccccc1C[N+]12CCN(CC1)CC2 ZINC000073369203 717134140 /nfs/dbraw/zinc/13/41/40/717134140.db2.gz XWOGYAITUTWKMJ-UHFFFAOYSA-N 1 0 221.299 1.472 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH3+] ZINC000035222598 178270683 /nfs/dbraw/zinc/27/06/83/178270683.db2.gz AKXUJGVOBSNJOO-UHFFFAOYSA-N 1 0 223.232 1.191 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[NH2+]C1 ZINC000051868097 178272688 /nfs/dbraw/zinc/27/26/88/178272688.db2.gz ZWOVWTNFTSZAHI-SNVBAGLBSA-N 1 0 222.244 1.644 10 5 BDBERO O=[N+]([O-])c1ccc2c(c1)[nH]c1c2CC[NH2+]C1 ZINC000042684364 362017485 /nfs/dbraw/zinc/01/74/85/362017485.db2.gz CJYNVZARKDRURZ-UHFFFAOYSA-N 1 0 217.228 1.722 10 5 BDBERO C[C@H]([NH3+])Cc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000584880766 343081728 /nfs/dbraw/zinc/08/17/28/343081728.db2.gz IKGDCCBXPBNXTN-ZETCQYMHSA-N 1 0 219.244 1.966 10 5 BDBERO Cc1nn([C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000584881642 343082768 /nfs/dbraw/zinc/08/27/68/343082768.db2.gz YPWLRFNTDRKHFC-QMMMGPOBSA-N 1 0 210.237 1.024 10 5 BDBERO O=[N+]([O-])c1cnccc1C1=CC[NH2+]CC1 ZINC000145151168 343154472 /nfs/dbraw/zinc/15/44/72/343154472.db2.gz GFWDJLIWZQGYOA-UHFFFAOYSA-N 1 0 205.217 1.367 10 5 BDBERO O=[N+]([O-])c1ccc([C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000039332075 187263398 /nfs/dbraw/zinc/26/33/98/187263398.db2.gz WYVXKKHXLDXLOM-GXSJLCMTSA-N 1 0 204.229 1.456 10 5 BDBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000082579270 133502766 /nfs/dbraw/zinc/50/27/66/133502766.db2.gz FNCJBJMKXVSWCM-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000600959721 343920215 /nfs/dbraw/zinc/92/02/15/343920215.db2.gz ZYNCSDYJHZEIJM-IONNQARKSA-N 1 0 222.248 1.152 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cn1 ZINC000309366080 347041903 /nfs/dbraw/zinc/04/19/03/347041903.db2.gz OQBBGUOFOHEVEP-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO CC(C)(C)c1cc2n(n1)C1=NCC[N@@+]1(C)C=N2 ZINC000247694026 344384014 /nfs/dbraw/zinc/38/40/14/344384014.db2.gz YCLMSDNXVONSGO-KRWDZBQOSA-N 1 0 232.311 1.518 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381597772 344525427 /nfs/dbraw/zinc/52/54/27/344525427.db2.gz MQGMHHOMMPAISQ-YUMQZZPRSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1cc(N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000050249492 344664024 /nfs/dbraw/zinc/66/40/24/344664024.db2.gz FHRIVCMCQBEOCG-JTQLQIEISA-N 1 0 235.287 1.688 10 5 BDBERO Cc1nc(N2C[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000600962783 344836847 /nfs/dbraw/zinc/83/68/47/344836847.db2.gz MDHXQTATHZUCRW-APPZFPTMSA-N 1 0 236.275 1.224 10 5 BDBERO Cc1cnc(N2C[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000600963494 344949066 /nfs/dbraw/zinc/94/90/66/344949066.db2.gz WGNYUVSVSVQRJZ-RKDXNWHRSA-N 1 0 236.275 1.224 10 5 BDBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)cn1 ZINC000044509168 345097345 /nfs/dbraw/zinc/09/73/45/345097345.db2.gz ICSCGQZYTKBQTL-UHFFFAOYSA-N 1 0 236.275 1.401 10 5 BDBERO CN(CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cn1 ZINC000594693373 348099899 /nfs/dbraw/zinc/09/98/99/348099899.db2.gz MZRVQQRKGZCWNW-UHFFFAOYSA-N 1 0 224.264 1.163 10 5 BDBERO Cc1cnc(N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000594693880 348101297 /nfs/dbraw/zinc/10/12/97/348101297.db2.gz XJXLYRHUJXNUJF-UHFFFAOYSA-N 1 0 238.291 1.472 10 5 BDBERO Cc1c2cc([N+](=O)[O-])ccc2nc(N)c1C[NH3+] ZINC000725244737 537997407 /nfs/dbraw/zinc/99/74/07/537997407.db2.gz UWYVWINCHNYDLU-UHFFFAOYSA-N 1 0 232.243 1.492 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000596032172 348427234 /nfs/dbraw/zinc/42/72/34/348427234.db2.gz IBBAJFVEPYGTMG-MRVPVSSYSA-N 1 0 209.249 1.615 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596033845 348428009 /nfs/dbraw/zinc/42/80/09/348428009.db2.gz WROSTQLUOYWPLT-LURJTMIESA-N 1 0 244.682 1.663 10 5 BDBERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])nc1 ZINC000063171679 351269932 /nfs/dbraw/zinc/26/99/32/351269932.db2.gz GQCHZDYIMZEYCX-SSDOTTSWSA-N 1 0 210.237 1.139 10 5 BDBERO CC(C)C[C@@H]1SC[C@@H]([NH3+])[C@H]1[N+](=O)[O-] ZINC000307558278 352648201 /nfs/dbraw/zinc/64/82/01/352648201.db2.gz DCVSSXKJIRFPPW-GJMOJQLCSA-N 1 0 204.295 1.121 10 5 BDBERO Cc1ccnc(NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420212359 192176127 /nfs/dbraw/zinc/17/61/27/192176127.db2.gz GPMOBJLQCRSBOI-SSDOTTSWSA-N 1 0 224.264 1.305 10 5 BDBERO NC(=[NH2+])SCCc1ccc([N+](=O)[O-])cc1 ZINC000071980710 181192921 /nfs/dbraw/zinc/19/29/21/181192921.db2.gz QHMNTFIBNJZDPK-UHFFFAOYSA-N 1 0 225.273 1.764 10 5 BDBERO [NH3+]C[C@H]1CC[C@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000675060231 538485881 /nfs/dbraw/zinc/48/58/81/538485881.db2.gz CKGGDLMXVRCDFF-CMPLNLGQSA-N 1 0 236.271 1.816 10 5 BDBERO [NH3+]C[C@H]1CCOc2c1cccc2[N+](=O)[O-] ZINC000675073829 538506453 /nfs/dbraw/zinc/50/64/53/538506453.db2.gz NUPGYOYDNJJNLS-SSDOTTSWSA-N 1 0 208.217 1.420 10 5 BDBERO [NH3+]CCC[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000584635628 358319967 /nfs/dbraw/zinc/31/99/67/358319967.db2.gz CMJCIMJGYVHKRZ-JTQLQIEISA-N 1 0 210.233 1.367 10 5 BDBERO CCCC[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC000130580314 358632558 /nfs/dbraw/zinc/63/25/58/358632558.db2.gz UFSYIVWYTISPDX-MRVPVSSYSA-N 1 0 239.279 1.314 10 5 BDBERO CCN(CC[NH3+])c1cccc(OC)c1[N+](=O)[O-] ZINC000122827827 363850702 /nfs/dbraw/zinc/85/07/02/363850702.db2.gz WGNULGQSYPPZOL-UHFFFAOYSA-N 1 0 239.275 1.388 10 5 BDBERO [NH3+]CCc1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000089204143 181411327 /nfs/dbraw/zinc/41/13/27/181411327.db2.gz NGXZVAWPJTXWBZ-UHFFFAOYSA-N 1 0 205.217 1.577 10 5 BDBERO CCc1nn(C)c(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000091559991 369441545 /nfs/dbraw/zinc/44/15/45/369441545.db2.gz BSXIVTVNNFTBQJ-SSDOTTSWSA-N 1 0 241.295 1.040 10 5 BDBERO CC[C@H]([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000082579248 371012146 /nfs/dbraw/zinc/01/21/46/371012146.db2.gz MSXJJDPJXNWUOG-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO [NH3+][C@@H]1CCCc2cc([N+](=O)[O-])ccc2[C@H]1O ZINC000008699482 181585887 /nfs/dbraw/zinc/58/58/87/181585887.db2.gz QQQFYJCEGAMVAE-GHMZBOCLSA-N 1 0 222.244 1.292 10 5 BDBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000038051077 181642517 /nfs/dbraw/zinc/64/25/17/181642517.db2.gz NPYVPNQMHDCASU-DTWKUNHWSA-N 1 0 236.275 1.672 10 5 BDBERO COc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])c1 ZINC000155922264 371318009 /nfs/dbraw/zinc/31/80/09/371318009.db2.gz CLDZILBJEPXHSF-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000600962301 371716226 /nfs/dbraw/zinc/71/62/26/371716226.db2.gz CZKXYORSWRBRIT-DTWKUNHWSA-N 1 0 221.260 1.521 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000600961257 371716492 /nfs/dbraw/zinc/71/64/92/371716492.db2.gz OTLIPHXHVFRJMD-IUCAKERBSA-N 1 0 236.275 1.021 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000600960268 371716510 /nfs/dbraw/zinc/71/65/10/371716510.db2.gz CDEWNZXZHLPLMJ-QWRGUYRKSA-N 1 0 249.314 1.934 10 5 BDBERO CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003138799 169262248 /nfs/dbraw/zinc/26/22/48/169262248.db2.gz VGYJTWPSBCTSCX-LLVKDONJSA-N 1 0 224.260 1.628 10 5 BDBERO CCCC[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000226782962 134368956 /nfs/dbraw/zinc/36/89/56/134368956.db2.gz FWVCYTMSHBJQSC-SSDOTTSWSA-N 1 0 244.320 1.981 10 5 BDBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000336649910 384245548 /nfs/dbraw/zinc/24/55/48/384245548.db2.gz HDRDIGKZQIFQTE-MRVPVSSYSA-N 1 0 224.264 1.529 10 5 BDBERO C[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000336671278 384250749 /nfs/dbraw/zinc/25/07/49/384250749.db2.gz AZTLJWYZIQBGLV-SECBINFHSA-N 1 0 238.291 1.919 10 5 BDBERO C[C@H](C[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000235464706 384409607 /nfs/dbraw/zinc/40/96/07/384409607.db2.gz DREGOIFPISFRAT-ZCFIWIBFSA-N 1 0 213.212 1.493 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320425901 384703134 /nfs/dbraw/zinc/70/31/34/384703134.db2.gz YNARFSVBJMYVAH-BDAKNGLRSA-N 1 0 238.291 1.836 10 5 BDBERO C[C@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000320601481 384756621 /nfs/dbraw/zinc/75/66/21/384756621.db2.gz XEOQXAADLXDOJV-WDSKDSINSA-N 1 0 230.293 1.589 10 5 BDBERO Cc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000414768710 386806594 /nfs/dbraw/zinc/80/65/94/386806594.db2.gz LBWMLTHYCPBCKF-ZYHUDNBSSA-N 1 0 249.314 1.825 10 5 BDBERO CCOc1ccc(OCC)c([N+](=O)[O-])c1C[NH3+] ZINC000575721776 387445420 /nfs/dbraw/zinc/44/54/20/387445420.db2.gz UAMMCQUGEMBAMR-UHFFFAOYSA-N 1 0 240.259 1.851 10 5 BDBERO CCc1cc(C[NH3+])c(OC)cc1[N+](=O)[O-] ZINC000575725164 387462484 /nfs/dbraw/zinc/46/24/84/387462484.db2.gz GYFFDUDRAMFVGQ-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO C[C@@H](C[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000104207217 387503784 /nfs/dbraw/zinc/50/37/84/387503784.db2.gz RQCDIWJUNWKJBC-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000104210829 387504714 /nfs/dbraw/zinc/50/47/14/387504714.db2.gz MXRFCKOVEADURL-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO CC[C@@H]([NH2+]CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036721045 388257586 /nfs/dbraw/zinc/25/75/86/388257586.db2.gz GUIKMKYJDMGMNW-SNVBAGLBSA-N 1 0 237.259 1.121 10 5 BDBERO O=[N+]([O-])c1cccnc1NCC12CC(C1)C[NH2+]2 ZINC000596026862 388400632 /nfs/dbraw/zinc/40/06/32/388400632.db2.gz NLMVVBIENDYZMA-UHFFFAOYSA-N 1 0 234.259 1.154 10 5 BDBERO O=[N+]([O-])C1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000082048861 388723508 /nfs/dbraw/zinc/72/35/08/388723508.db2.gz GJYNUKYVXIQGQH-FOSCPWQOSA-N 1 0 218.256 1.394 10 5 BDBERO [NH3+]CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000044514640 132225021 /nfs/dbraw/zinc/22/50/21/132225021.db2.gz CORXCEYOQOYFAD-UHFFFAOYSA-N 1 0 236.275 1.165 10 5 BDBERO CC[NH2+]CCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000038043481 170112733 /nfs/dbraw/zinc/11/27/33/170112733.db2.gz KVJRGTZUQJCUIW-UHFFFAOYSA-N 1 0 241.295 1.048 10 5 BDBERO CC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000074534403 171431102 /nfs/dbraw/zinc/43/11/02/171431102.db2.gz WGUQTEQVYHOZEK-SECBINFHSA-N 1 0 237.259 1.062 10 5 BDBERO COc1ccc(N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093707 175155794 /nfs/dbraw/zinc/15/57/94/175155794.db2.gz ZPECHQSFDWTTBP-QMMMGPOBSA-N 1 0 237.259 1.377 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1C1=CC[NH2+]CC1 ZINC000090548024 175201257 /nfs/dbraw/zinc/20/12/57/175201257.db2.gz DWMMNJAHLFTPNK-UHFFFAOYSA-N 1 0 234.255 1.980 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ccccc1[N+](=O)[O-] ZINC000336680196 175673499 /nfs/dbraw/zinc/67/34/99/175673499.db2.gz IWXVTAYSYLKHCX-QMMMGPOBSA-N 1 0 209.249 1.744 10 5 BDBERO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000038087043 176016649 /nfs/dbraw/zinc/01/66/49/176016649.db2.gz ADCNPUARXACKGZ-NSHDSACASA-N 1 0 249.314 1.951 10 5 BDBERO CCOc1cccc(N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000135053251 325390865 /nfs/dbraw/zinc/39/08/65/325390865.db2.gz NCVWYCQSZHYBSL-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO Cc1cc2c(c([N+](=O)[O-])c1)O[C@H](C)[C@H]2[NH3+] ZINC000757175909 582553205 /nfs/dbraw/zinc/55/32/05/582553205.db2.gz PQDFUHHBPICGBL-HZGVNTEJSA-N 1 0 208.217 1.684 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000209511751 582670693 /nfs/dbraw/zinc/67/06/93/582670693.db2.gz NFSMJPWTGTVUCO-SKDRFNHKSA-N 1 0 233.271 1.393 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)[NH3+])n1 ZINC000309215643 631969037 /nfs/dbraw/zinc/96/90/37/631969037.db2.gz VEXYXIPKPZYRFO-SSDOTTSWSA-N 1 0 224.264 1.082 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322959 641426319 /nfs/dbraw/zinc/42/63/19/641426319.db2.gz LELKTRVIAXOWGY-PHIMTYICSA-N 1 0 247.298 1.559 10 5 BDBERO [NH3+]CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000723668720 711533162 /nfs/dbraw/zinc/53/31/62/711533162.db2.gz BEGSGEJUEOLJDK-JTQLQIEISA-N 1 0 235.287 1.770 10 5 BDBERO Cc1ccc(N2C[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000702671645 712058575 /nfs/dbraw/zinc/05/85/75/712058575.db2.gz KAQFOKDFUKVPBJ-UWVGGRQHSA-N 1 0 235.287 1.829 10 5 BDBERO Cc1ccc(N2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000708856060 712201194 /nfs/dbraw/zinc/20/11/94/712201194.db2.gz YZOUPUJTBGBNCI-GHMZBOCLSA-N 1 0 249.314 1.934 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000715082927 712507265 /nfs/dbraw/zinc/50/72/65/712507265.db2.gz UDQKDPOVIGYIIK-OCAPTIKFSA-N 1 0 239.250 1.883 10 5 BDBERO Cc1cnc(NCC2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000715097714 712508250 /nfs/dbraw/zinc/50/82/50/712508250.db2.gz TYIOMMDGWKBKNR-UHFFFAOYSA-N 1 0 236.275 1.447 10 5 BDBERO CCN(CC)C(=O)OCC[N+](C)(C)C ZINC000001998867 717092343 /nfs/dbraw/zinc/09/23/43/717092343.db2.gz FYBQEEZXFSSBKE-UHFFFAOYSA-N 1 0 203.306 1.171 10 5 BDBERO C[N+]1(C)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005409846 717099236 /nfs/dbraw/zinc/09/92/36/717099236.db2.gz BDBOUYNUSNUWFV-UHFFFAOYSA-O 1 0 240.670 1.981 10 5 BDBERO C[N+](C)(CCO)Cc1ccc(Cl)cc1 ZINC000034609939 717124747 /nfs/dbraw/zinc/12/47/47/717124747.db2.gz OSQFPRGSOWWJBE-UHFFFAOYSA-N 1 0 214.716 1.909 10 5 BDBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000320449097 342734023 /nfs/dbraw/zinc/73/40/23/342734023.db2.gz CCLGWNMMIJBVJP-HTQZYQBOSA-N 1 0 224.264 1.528 10 5 BDBERO Cc1nn(C)c(N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320644435 342735237 /nfs/dbraw/zinc/73/52/37/342735237.db2.gz FJHVTRVVIRNOIT-BQBZGAKWSA-N 1 0 241.295 1.174 10 5 BDBERO Cc1nn(C)c(N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320644436 342735291 /nfs/dbraw/zinc/73/52/91/342735291.db2.gz FJHVTRVVIRNOIT-NKWVEPMBSA-N 1 0 241.295 1.174 10 5 BDBERO Cn1c(/C=C/c2ccc([N+](=O)[O-])cc2)cc[n+]1C ZINC000005510416 342765189 /nfs/dbraw/zinc/76/51/89/342765189.db2.gz NUBNOVDUDMCVMG-ZZXKWVIFSA-N 1 0 244.274 1.928 10 5 BDBERO Cc1cc(N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000071311779 343654750 /nfs/dbraw/zinc/65/47/50/343654750.db2.gz QQGBXHPFEAXTMV-NSHDSACASA-N 1 0 235.287 1.701 10 5 BDBERO [NH3+]CCCOCCNc1ccccc1[N+](=O)[O-] ZINC000600955256 343931508 /nfs/dbraw/zinc/93/15/08/343931508.db2.gz LDUATKCDJHDRKY-UHFFFAOYSA-N 1 0 239.275 1.372 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1N[C@H]1CC[NH2+]C1 ZINC000052093951 187357871 /nfs/dbraw/zinc/35/78/71/187357871.db2.gz XNHWRYSTDGMEQC-ZETCQYMHSA-N 1 0 225.223 1.508 10 5 BDBERO CCN(CC[NH3+])c1cc(C)c([N+](=O)[O-])cn1 ZINC000165936715 344240177 /nfs/dbraw/zinc/24/01/77/344240177.db2.gz BORJCRDGEXJPCE-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO CCN(CC[NH3+])c1ncc([N+](=O)[O-])cc1C ZINC000165928315 344232110 /nfs/dbraw/zinc/23/21/10/344232110.db2.gz PIXPVQVXEXOTGY-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO C[C@H]([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149427318 347044495 /nfs/dbraw/zinc/04/44/95/347044495.db2.gz VHWBMUQUCOTBBD-YFKPBYRVSA-N 1 0 230.655 1.402 10 5 BDBERO Cc1cnc(NC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000085427015 344530262 /nfs/dbraw/zinc/53/02/62/344530262.db2.gz BEOSYEDWKZVUDB-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO C[C@@H]([NH3+])Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000396134816 344611772 /nfs/dbraw/zinc/61/17/72/344611772.db2.gz FUPQOLQFACFIRK-SSDOTTSWSA-N 1 0 219.244 1.966 10 5 BDBERO Cc1nc(N2C[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600962784 344836822 /nfs/dbraw/zinc/83/68/22/344836822.db2.gz MDHXQTATHZUCRW-CBAPKCEASA-N 1 0 236.275 1.224 10 5 BDBERO [NH3+][C@@H](CCO)c1cc(F)ccc1[N+](=O)[O-] ZINC000044233169 344988440 /nfs/dbraw/zinc/98/84/40/344988440.db2.gz GUNJVRHOVRFTHO-QMMMGPOBSA-N 1 0 214.196 1.116 10 5 BDBERO [NH3+][C@H](CF)c1cc(F)ccc1[N+](=O)[O-] ZINC000238684202 345109281 /nfs/dbraw/zinc/10/92/81/345109281.db2.gz ASRQFXSDSJUHMT-SSDOTTSWSA-N 1 0 202.160 1.703 10 5 BDBERO Cc1ccc(NC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000082575451 345440946 /nfs/dbraw/zinc/44/09/46/345440946.db2.gz JJQKKBSMJKENDS-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CC[NH2+]C1 ZINC000133783111 187361174 /nfs/dbraw/zinc/36/11/74/187361174.db2.gz RRWIIHPBFXRAGM-MRVPVSSYSA-N 1 0 239.250 1.755 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1NCCC[NH3+] ZINC000125690581 179206755 /nfs/dbraw/zinc/20/67/55/179206755.db2.gz BAFISJCBJAITHV-UHFFFAOYSA-N 1 0 209.249 1.664 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C ZINC000596032212 348427265 /nfs/dbraw/zinc/42/72/65/348427265.db2.gz JKVOHIFGUOXHJS-SECBINFHSA-N 1 0 223.276 1.923 10 5 BDBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000038051068 349300884 /nfs/dbraw/zinc/30/08/84/349300884.db2.gz MEXHRFHXZDMPIZ-ZJUUUORDSA-N 1 0 236.275 1.672 10 5 BDBERO Cc1nc(NCCC[NH3+])ccc1[N+](=O)[O-] ZINC000123630444 180017968 /nfs/dbraw/zinc/01/79/68/180017968.db2.gz BWWVWNWYASVVOM-UHFFFAOYSA-N 1 0 210.237 1.059 10 5 BDBERO [NH3+]Cc1cc(Br)cc([N+](=O)[O-])c1F ZINC000306829984 351139153 /nfs/dbraw/zinc/13/91/53/351139153.db2.gz KPWIYQWYUJMRTJ-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO [NH3+]Cc1cc(F)c([N+](=O)[O-])c(Br)c1 ZINC000307312270 351990829 /nfs/dbraw/zinc/99/08/29/351990829.db2.gz GHEJVKDCAUEVQH-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO [NH3+]CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383347836 352747701 /nfs/dbraw/zinc/74/77/01/352747701.db2.gz AEIMDOOTYGZYQO-SECBINFHSA-N 1 0 245.229 1.989 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)C[NH3+] ZINC000420222406 192177005 /nfs/dbraw/zinc/17/70/05/192177005.db2.gz WOGXNVFBHKKSDB-SSDOTTSWSA-N 1 0 241.295 1.126 10 5 BDBERO Cc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000414768708 191564800 /nfs/dbraw/zinc/56/48/00/191564800.db2.gz LBWMLTHYCPBCKF-PWSUYJOCSA-N 1 0 249.314 1.825 10 5 BDBERO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000035064770 355712584 /nfs/dbraw/zinc/71/25/84/355712584.db2.gz NPXCOEWUIDRQCC-UHFFFAOYSA-N 1 0 209.249 1.744 10 5 BDBERO CC[NH2+]CCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692545 363559602 /nfs/dbraw/zinc/55/96/02/363559602.db2.gz GAIPISDNMNDAMF-UHFFFAOYSA-N 1 0 238.291 1.710 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC1=[NH+]CCN1 ZINC000675073432 538505079 /nfs/dbraw/zinc/50/50/79/538505079.db2.gz XGPOLGBGIUILLF-UHFFFAOYSA-N 1 0 220.232 1.274 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)C2CC([NH3+])C2)c1 ZINC000384739927 356737077 /nfs/dbraw/zinc/73/70/77/356737077.db2.gz LQDJAJNDFHSTPE-UHFFFAOYSA-N 1 0 235.287 1.829 10 5 BDBERO COC(=O)[C@@H]1CCC[C@@H]([N+](C)(C)C)C1 ZINC000584630821 358301160 /nfs/dbraw/zinc/30/11/60/358301160.db2.gz OVULEMZVEBYETR-NXEZZACHSA-N 1 0 200.302 1.424 10 5 BDBERO COC(=O)[C@H]1CCC[C@@H]([N+](C)(C)C)C1 ZINC000584630823 358301823 /nfs/dbraw/zinc/30/18/23/358301823.db2.gz OVULEMZVEBYETR-VHSXEESVSA-N 1 0 200.302 1.424 10 5 BDBERO [NH3+]CCCC[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000584637541 358322966 /nfs/dbraw/zinc/32/29/66/358322966.db2.gz AJCJJWSVZSLHPZ-LLVKDONJSA-N 1 0 224.260 1.757 10 5 BDBERO [NH3+]C1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC000055144720 181342354 /nfs/dbraw/zinc/34/23/54/181342354.db2.gz MNLOBHIXLRGDTF-UHFFFAOYSA-N 1 0 210.237 1.234 10 5 BDBERO [NH3+]CCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000035344375 181398300 /nfs/dbraw/zinc/39/83/00/181398300.db2.gz GMOBKJXBUHCXHW-UHFFFAOYSA-N 1 0 238.272 1.575 10 5 BDBERO CCc1nn(C)c(NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000091559993 369441898 /nfs/dbraw/zinc/44/18/98/369441898.db2.gz BSXIVTVNNFTBQJ-ZETCQYMHSA-N 1 0 241.295 1.040 10 5 BDBERO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000038844699 372788481 /nfs/dbraw/zinc/78/84/81/372788481.db2.gz IFIBQQCVEIPSNA-LBPRGKRZSA-N 1 0 235.287 1.735 10 5 BDBERO O=[N+]([O-])c1cc(F)cc(NC[C@H]2CCC[NH2+]2)c1 ZINC000053255406 182923458 /nfs/dbraw/zinc/92/34/58/182923458.db2.gz LDVSCQFKITZKOZ-SECBINFHSA-N 1 0 239.250 1.898 10 5 BDBERO O=[N+]([O-])c1cc(F)ccc1OC[C@H]1CCC[NH2+]1 ZINC000051865809 182924402 /nfs/dbraw/zinc/92/44/02/182924402.db2.gz WXNTWNNAJQGYJY-SECBINFHSA-N 1 0 240.234 1.865 10 5 BDBERO O=[N+]([O-])c1ccccc1[S@@](=O)[C@@H]1CC[NH2+]C1 ZINC000083309159 182952538 /nfs/dbraw/zinc/95/25/38/182952538.db2.gz IKGNPLBEFSQEQJ-VPTHRUTESA-N 1 0 240.284 1.064 10 5 BDBERO O=[N+]([O-])c1ccc(SC[C@@H]2CC[NH2+]C2)nc1 ZINC000095091977 384843003 /nfs/dbraw/zinc/84/30/03/384843003.db2.gz DFQQIYPPEKRACF-MRVPVSSYSA-N 1 0 239.300 1.691 10 5 BDBERO O=[N+]([O-])c1cccnc1OC[C@H]1CCC[NH2+]1 ZINC000051866250 386055865 /nfs/dbraw/zinc/05/58/65/386055865.db2.gz CLZOPIAIFGLCLV-MRVPVSSYSA-N 1 0 223.232 1.121 10 5 BDBERO [NH3+]CCC[C@H]([NH3+])c1cc([O-])ccc1[N+](=O)[O-] ZINC000575437964 387112900 /nfs/dbraw/zinc/11/29/00/387112900.db2.gz CBCQZTUXJZQDTD-VIFPVBQESA-N 1 0 225.248 1.039 10 5 BDBERO [NH3+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037184016 388206648 /nfs/dbraw/zinc/20/66/48/388206648.db2.gz OTFYXHWZFZKREN-UHFFFAOYSA-N 1 0 231.049 1.816 10 5 BDBERO Cc1ccnc(N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000227749460 388370106 /nfs/dbraw/zinc/37/01/06/388370106.db2.gz SLPNAMPZGSRVIB-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO C[C@H](C[NH3+])Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772182 388370558 /nfs/dbraw/zinc/37/05/58/388370558.db2.gz JAYVLFGHTLSKKD-ZCFIWIBFSA-N 1 0 235.247 1.230 10 5 BDBERO CN(c1ncccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000095070631 388757939 /nfs/dbraw/zinc/75/79/39/388757939.db2.gz ADYDGGSPPQVFFA-UHFFFAOYSA-N 1 0 236.275 1.178 10 5 BDBERO C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000095071528 388758303 /nfs/dbraw/zinc/75/83/03/388758303.db2.gz FUAMABYIWRLSJA-UHFFFAOYSA-N 1 0 236.275 1.178 10 5 BDBERO O=[N+]([O-])c1ccccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000029587312 132295093 /nfs/dbraw/zinc/29/50/93/132295093.db2.gz FCMREGFXHJOCSD-LLVKDONJSA-N 1 0 247.298 1.879 10 5 BDBERO O=C(CNC1=[NH+]CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000334161129 134159809 /nfs/dbraw/zinc/15/98/09/134159809.db2.gz UMKBHCNTMIBAIK-UHFFFAOYSA-N 1 0 247.254 1.559 10 5 BDBERO COc1ccc([N+](=O)[O-])c(NCCC[NH3+])c1 ZINC000087544319 135152432 /nfs/dbraw/zinc/15/24/32/135152432.db2.gz YKZLEVKLPADNIN-UHFFFAOYSA-N 1 0 225.248 1.364 10 5 BDBERO CC[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000020525201 170112358 /nfs/dbraw/zinc/11/23/58/170112358.db2.gz PLBGWXUIPZDBND-UHFFFAOYSA-N 1 0 224.260 1.973 10 5 BDBERO CN(C(=O)[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000062112601 172329291 /nfs/dbraw/zinc/32/92/91/172329291.db2.gz NVERKJAKIZJNBC-SECBINFHSA-N 1 0 249.270 1.167 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000042548148 173154073 /nfs/dbraw/zinc/15/40/73/173154073.db2.gz LAAOXYYKEXAUOD-VIFPVBQESA-N 1 0 239.250 1.850 10 5 BDBERO C[NH2+]C[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000054588579 173371507 /nfs/dbraw/zinc/37/15/07/173371507.db2.gz MIBWJCNUWGYTAE-GXSJLCMTSA-N 1 0 206.245 1.918 10 5 BDBERO C[NH2+]C[C@@H]1C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000054588612 173372701 /nfs/dbraw/zinc/37/27/01/173372701.db2.gz JFQWSLMFWGJGIJ-WCBMZHEXSA-N 1 0 206.245 1.918 10 5 BDBERO C[NH2+]C[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000071148435 173381984 /nfs/dbraw/zinc/38/19/84/173381984.db2.gz LCEQPPMXDUEJND-LLVKDONJSA-N 1 0 249.314 1.949 10 5 BDBERO C[C@@H]1C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000052277780 176404606 /nfs/dbraw/zinc/40/46/06/176404606.db2.gz QOKOQLXOJSSVRG-SKDRFNHKSA-N 1 0 236.271 1.972 10 5 BDBERO CCOc1cc(N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000111302718 323158616 /nfs/dbraw/zinc/15/86/16/323158616.db2.gz IBFIVECZRQBMDR-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000133303560 591785542 /nfs/dbraw/zinc/78/55/42/591785542.db2.gz PEUOCCWZKKMTLB-LBPRGKRZSA-N 1 0 235.287 1.783 10 5 BDBERO C[C@H]([NH3+])CN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000309224468 632825926 /nfs/dbraw/zinc/82/59/26/632825926.db2.gz ZVWQWYQDYAOWLV-LURJTMIESA-N 1 0 244.682 1.427 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000070897058 643079168 /nfs/dbraw/zinc/07/91/68/643079168.db2.gz ADJLBYPCVGGDFW-LLVKDONJSA-N 1 0 221.260 1.393 10 5 BDBERO [NH3+]CC[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000723671243 711533016 /nfs/dbraw/zinc/53/30/16/711533016.db2.gz YTHHFIROSOGUQS-SECBINFHSA-N 1 0 236.275 1.165 10 5 BDBERO Cc1ccc(N2C[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000702671648 712058690 /nfs/dbraw/zinc/05/86/90/712058690.db2.gz KAQFOKDFUKVPBJ-ZJUUUORDSA-N 1 0 235.287 1.829 10 5 BDBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1 ZINC000702652253 712058693 /nfs/dbraw/zinc/05/86/93/712058693.db2.gz AZMMCENBOXGQEN-IUCAKERBSA-N 1 0 221.260 1.521 10 5 BDBERO Cc1ccc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000708856062 712201322 /nfs/dbraw/zinc/20/13/22/712201322.db2.gz YZOUPUJTBGBNCI-MNOVXSKESA-N 1 0 249.314 1.934 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000715073718 712506264 /nfs/dbraw/zinc/50/62/64/712506264.db2.gz UONSKYCXKPDCLC-ZKCHVHJHSA-N 1 0 222.248 1.139 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000715095642 712508274 /nfs/dbraw/zinc/50/82/74/712508274.db2.gz HRENRWUFBCXPOG-ZKCHVHJHSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000715095648 712508513 /nfs/dbraw/zinc/50/85/13/712508513.db2.gz HUSLBXNWLUDPDE-ZKCHVHJHSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000715135712 712514598 /nfs/dbraw/zinc/51/45/98/712514598.db2.gz ZYRIFRGFRBPCAV-IZLXSQMJSA-N 1 0 228.277 1.201 10 5 BDBERO CCO[C@@]1(C)C[N+](C)(C)[C@H](C)CC1=O ZINC000005861461 717102775 /nfs/dbraw/zinc/10/27/75/717102775.db2.gz IPRZKFOCCZRWDS-KOLCDFICSA-N 1 0 200.302 1.219 10 5 BDBERO Cc1cc(C)cc(C[N+]23CCN(CC2)CC3)c1 ZINC000073680691 717134723 /nfs/dbraw/zinc/13/47/23/717134723.db2.gz KFZDXKQKDWMPEU-UHFFFAOYSA-N 1 0 231.363 1.949 10 5 BDBERO C(=C\c1ccccc1)\C[N+]12CCN(CC1)CC2 ZINC000255101108 717171143 /nfs/dbraw/zinc/17/11/43/717171143.db2.gz UFDQPDPDYLPFJQ-DAXSKMNVSA-N 1 0 229.347 1.846 10 5 BDBERO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000310209173 178117487 /nfs/dbraw/zinc/11/74/87/178117487.db2.gz UMWIFJNEMOVNOA-MWLCHTKSSA-N 1 0 235.287 1.829 10 5 BDBERO Cc1cc(NC(=O)C[NH3+])c([N+](=O)[O-])cc1C ZINC000047865795 178129902 /nfs/dbraw/zinc/12/99/02/178129902.db2.gz WMJBEVCVRNJIPA-UHFFFAOYSA-N 1 0 223.232 1.109 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000320320425 342733101 /nfs/dbraw/zinc/73/31/01/342733101.db2.gz KWYJGSAWZUUROV-VXNVDRBHSA-N 1 0 238.291 1.836 10 5 BDBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000124125389 398313548 /nfs/dbraw/zinc/31/35/48/398313548.db2.gz FPUZZNBPUKAUPU-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO COc1cc(C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000117648605 343011025 /nfs/dbraw/zinc/01/10/25/343011025.db2.gz OIINFIJOJMDSJR-UHFFFAOYSA-N 1 0 210.233 1.665 10 5 BDBERO CNc1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000040586295 187263893 /nfs/dbraw/zinc/26/38/93/187263893.db2.gz KUJQDMNVELSZLX-UHFFFAOYSA-N 1 0 246.230 1.565 10 5 BDBERO O=[N+]([O-])c1ccc(-c2c[n+]3cccn3[nH]2)cc1 ZINC000198966658 343679293 /nfs/dbraw/zinc/67/92/93/343679293.db2.gz PPVHUFXGEQODSS-UHFFFAOYSA-N 1 0 229.219 1.428 10 5 BDBERO O=[N+]([O-])c1ccc(S[C@@H]2CCC[NH2+]C2)nc1 ZINC000095091971 187286881 /nfs/dbraw/zinc/28/68/81/187286881.db2.gz ZDBXYEIRXXDSEW-SECBINFHSA-N 1 0 239.300 1.834 10 5 BDBERO O=[N+]([O-])c1ccc(NC2C[NH2+]C2)c(F)c1 ZINC000084418612 344428674 /nfs/dbraw/zinc/42/86/74/344428674.db2.gz NIXHEXKUDDKDBP-UHFFFAOYSA-N 1 0 211.196 1.118 10 5 BDBERO CCc1nn(C)c(N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332518 344496399 /nfs/dbraw/zinc/49/63/99/344496399.db2.gz BVUPVSOAQFEQDP-NKWVEPMBSA-N 1 0 241.295 1.038 10 5 BDBERO COc1cc(N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381344197 344497448 /nfs/dbraw/zinc/49/74/48/344497448.db2.gz GBEBDQHHPLDGBZ-YUMQZZPRSA-N 1 0 239.275 1.751 10 5 BDBERO COc1cc(N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381344192 344497534 /nfs/dbraw/zinc/49/75/34/344497534.db2.gz GBEBDQHHPLDGBZ-HTQZYQBOSA-N 1 0 239.275 1.751 10 5 BDBERO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000381632596 344528516 /nfs/dbraw/zinc/52/85/16/344528516.db2.gz VOZCBGWHRMOANU-NTSWFWBYSA-N 1 0 244.682 1.791 10 5 BDBERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000381678570 344534586 /nfs/dbraw/zinc/53/45/86/344534586.db2.gz CTDZONISUMBBQF-RNFRBKRXSA-N 1 0 210.237 1.137 10 5 BDBERO [NH3+][C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000149894777 347550351 /nfs/dbraw/zinc/55/03/51/347550351.db2.gz VEPJDHDKXNUJLM-KYZUINATSA-N 1 0 236.275 1.672 10 5 BDBERO Cc1nc(N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320402089 323176885 /nfs/dbraw/zinc/17/68/85/323176885.db2.gz VJUYZCRRBQGLER-YUMQZZPRSA-N 1 0 238.291 1.836 10 5 BDBERO O=[N+]([O-])c1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000595001089 348169274 /nfs/dbraw/zinc/16/92/74/348169274.db2.gz QJAFRSGDONIISO-UHFFFAOYSA-N 1 0 236.271 1.455 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000596032176 348427277 /nfs/dbraw/zinc/42/72/77/348427277.db2.gz IFFVCAKHGNQKPG-ZCFIWIBFSA-N 1 0 244.682 1.663 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596033306 348427961 /nfs/dbraw/zinc/42/79/61/348427961.db2.gz TXFBPFQOOPCEIC-SSDOTTSWSA-N 1 0 210.237 1.010 10 5 BDBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000038051044 349299358 /nfs/dbraw/zinc/29/93/58/349299358.db2.gz UGPODYLUKJVYDJ-BDAKNGLRSA-N 1 0 236.275 1.672 10 5 BDBERO Cc1nn(C)c(N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000310259269 180359757 /nfs/dbraw/zinc/35/97/57/180359757.db2.gz HHSBTCPQAFMSDJ-SSDOTTSWSA-N 1 0 241.295 1.176 10 5 BDBERO C[C@H](C[NH3+])N(C)c1ccccc1[N+](=O)[O-] ZINC000383024915 351166697 /nfs/dbraw/zinc/16/66/97/351166697.db2.gz XJBJELKKRFANBA-MRVPVSSYSA-N 1 0 209.249 1.378 10 5 BDBERO [NH3+]Cc1ccc(Br)c(F)c1[N+](=O)[O-] ZINC000307166651 351535085 /nfs/dbraw/zinc/53/50/85/351535085.db2.gz POKWKMKKRPUHNJ-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO O=[N+]([O-])c1cccc(-[n+]2ccccc2)c1 ZINC000015767637 355841381 /nfs/dbraw/zinc/84/13/81/355841381.db2.gz KHSJHUBWVVHFMM-UHFFFAOYSA-N 1 0 201.205 1.872 10 5 BDBERO Cc1nc(N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000384789590 356750977 /nfs/dbraw/zinc/75/09/77/356750977.db2.gz VIWXQGJSBJUBOH-UHFFFAOYSA-N 1 0 236.275 1.224 10 5 BDBERO Cc1cnc(N(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000384807404 356756189 /nfs/dbraw/zinc/75/61/89/356756189.db2.gz ZXZJSIPCVQHUCC-UHFFFAOYSA-N 1 0 236.275 1.224 10 5 BDBERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000130598008 358633458 /nfs/dbraw/zinc/63/34/58/358633458.db2.gz JKOKJAVVLPYAJN-SECBINFHSA-N 1 0 238.291 1.919 10 5 BDBERO [NH3+]C1CCC(OCc2ccc([N+](=O)[O-])o2)CC1 ZINC000055143066 181342376 /nfs/dbraw/zinc/34/23/76/181342376.db2.gz OLSRPLOANHVMSG-UHFFFAOYSA-N 1 0 240.259 1.974 10 5 BDBERO [NH3+]CCc1cc(Cl)cc([N+](=O)[O-])n1 ZINC000095767769 181411711 /nfs/dbraw/zinc/41/17/11/181411711.db2.gz YEKKGVHRNAWYOH-UHFFFAOYSA-N 1 0 201.613 1.144 10 5 BDBERO Nc1nc2cc(C[NH3+])ccc2c2cccnc12 ZINC000115017097 368967230 /nfs/dbraw/zinc/96/72/30/368967230.db2.gz FWBHTYHKXQPZRS-UHFFFAOYSA-N 1 0 224.267 1.824 10 5 BDBERO [NH3+]CC1(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000404857681 369436696 /nfs/dbraw/zinc/43/66/96/369436696.db2.gz UNEFXHZUYWJHIA-UHFFFAOYSA-N 1 0 242.304 1.014 10 5 BDBERO C[C@H]([NH3+])CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000111302656 370125525 /nfs/dbraw/zinc/12/55/25/370125525.db2.gz XYECDPRDWVABDV-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000063172349 181649058 /nfs/dbraw/zinc/64/90/58/181649058.db2.gz IVBATCDRFNYCNY-VHSXEESVSA-N 1 0 249.270 1.204 10 5 BDBERO C[C@H]([NH3+])CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162159561 371621392 /nfs/dbraw/zinc/62/13/92/371621392.db2.gz RKIGITCIBVOMJV-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO CN(CCC[NH3+])c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000133830416 372119465 /nfs/dbraw/zinc/11/94/65/372119465.db2.gz GAMDCSHQCKWWRT-UHFFFAOYSA-N 1 0 249.274 1.256 10 5 BDBERO O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000037029548 182381109 /nfs/dbraw/zinc/38/11/09/182381109.db2.gz NDMKACHNJQLZCI-SECBINFHSA-N 1 0 249.270 1.533 10 5 BDBERO O=[N+]([O-])c1ccc(CC2=[NH+]CCN2)cc1 ZINC000013779808 182929557 /nfs/dbraw/zinc/92/95/57/182929557.db2.gz YVRQVZDDBLLPEQ-UHFFFAOYSA-N 1 0 205.217 1.139 10 5 BDBERO O=[N+]([O-])c1ccccc1[S@](=O)[C@H]1CC[NH2+]C1 ZINC000083309165 182952545 /nfs/dbraw/zinc/95/25/45/182952545.db2.gz IKGNPLBEFSQEQJ-PWJLMRLQSA-N 1 0 240.284 1.064 10 5 BDBERO CCCNC(=[NH2+])NCc1ccc([N+](=O)[O-])cc1 ZINC000052042211 169211739 /nfs/dbraw/zinc/21/17/39/169211739.db2.gz DOTCSONFZNMSAT-UHFFFAOYSA-N 1 0 236.275 1.619 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH3+])c1 ZINC000336684619 384252230 /nfs/dbraw/zinc/25/22/30/384252230.db2.gz SWSNUMJTHYJIOZ-VIFPVBQESA-N 1 0 223.276 1.910 10 5 BDBERO Nc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1 ZINC000075843677 384341434 /nfs/dbraw/zinc/34/14/34/384341434.db2.gz DQPFXUXGSRPQPF-UHFFFAOYSA-N 1 0 204.189 1.363 10 5 BDBERO C[C@@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000307447644 386657664 /nfs/dbraw/zinc/65/76/64/386657664.db2.gz YCDVEIJKGWXKAH-UHNVWZDZSA-N 1 0 216.266 1.199 10 5 BDBERO CCc1cc([N+](=O)[O-])c(OC)cc1C[NH3+] ZINC000575725623 387458556 /nfs/dbraw/zinc/45/85/56/387458556.db2.gz LKQPJRWGVXVOOC-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO Cc1ccc2c(c1)[n+](=O)c1cc(N)ccc1n2O ZINC000584627008 387503968 /nfs/dbraw/zinc/50/39/68/387503968.db2.gz BMJJEVJRKLSVBK-UHFFFAOYSA-N 1 0 242.258 1.837 10 5 BDBERO CCOc1cc(NC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000104226494 387489329 /nfs/dbraw/zinc/48/93/29/387489329.db2.gz WHQXAHMTFHNSEB-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@H]([NH3+])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000082195860 388724884 /nfs/dbraw/zinc/72/48/84/388724884.db2.gz USMLPLKAUZIPIG-YFKPBYRVSA-N 1 0 211.177 1.523 10 5 BDBERO COc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH3+])c1 ZINC000155922144 134702737 /nfs/dbraw/zinc/70/27/37/134702737.db2.gz CLDZILBJEPXHSF-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO Cc1ccc(N2CC[C@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261542727 135183269 /nfs/dbraw/zinc/18/32/69/135183269.db2.gz CJXFIBXPHDTXGV-ZJUUUORDSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+]Cc1cc(Br)ncc1[N+](=O)[O-] ZINC000307091358 410289271 /nfs/dbraw/zinc/28/92/71/410289271.db2.gz XIEFRTUWNUGQAR-UHFFFAOYSA-N 1 0 232.037 1.211 10 5 BDBERO CC[NH2+]CCNc1ccc(OC)cc1[N+](=O)[O-] ZINC000054267249 170116853 /nfs/dbraw/zinc/11/68/53/170116853.db2.gz UABABFXHLZMNGN-UHFFFAOYSA-N 1 0 239.275 1.625 10 5 BDBERO CC[NH2+]C[C@H](O)Cc1cccc([N+](=O)[O-])c1 ZINC000071531580 170122785 /nfs/dbraw/zinc/12/27/85/170122785.db2.gz MMSNFXPWPRSRIO-LLVKDONJSA-N 1 0 224.260 1.108 10 5 BDBERO CCc1nn(C)c(N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336674487 172038593 /nfs/dbraw/zinc/03/85/93/172038593.db2.gz BXAICOALOOYPLB-SSDOTTSWSA-N 1 0 241.295 1.040 10 5 BDBERO C[NH2+]C[C@H]1C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000054588610 173382677 /nfs/dbraw/zinc/38/26/77/173382677.db2.gz JFQWSLMFWGJGIJ-SCZZXKLOSA-N 1 0 206.245 1.918 10 5 BDBERO CC[C@H]1Oc2c(cc(OC)cc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757175903 582553386 /nfs/dbraw/zinc/55/33/86/582553386.db2.gz OXSNMOIEELZMFM-NXEZZACHSA-N 1 0 238.243 1.774 10 5 BDBERO CC[C@@H]1Oc2c(cccc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757175710 586432989 /nfs/dbraw/zinc/43/29/89/586432989.db2.gz GUABGESPHADNST-IUCAKERBSA-N 1 0 208.217 1.766 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)[NH3+])c1 ZINC000310304837 632716778 /nfs/dbraw/zinc/71/67/78/632716778.db2.gz RJDDVMHLHFCEQO-MRVPVSSYSA-N 1 0 239.275 1.387 10 5 BDBERO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000053204703 634077150 /nfs/dbraw/zinc/07/71/50/634077150.db2.gz PVELDLKHSPUYOY-JTQLQIEISA-N 1 0 235.287 1.783 10 5 BDBERO Cc1cc(N(C)C[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000310533188 634159132 /nfs/dbraw/zinc/15/91/32/634159132.db2.gz OMYSYKNDSBRVBV-QMMMGPOBSA-N 1 0 241.266 1.826 10 5 BDBERO C[NH2+]CCc1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000051850814 635345457 /nfs/dbraw/zinc/34/54/57/635345457.db2.gz JNZUVGMWRRJZPS-UHFFFAOYSA-N 1 0 248.242 1.407 10 5 BDBERO CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC000054419448 636635746 /nfs/dbraw/zinc/63/57/46/636635746.db2.gz KFCQNZNPAWETQT-UHFFFAOYSA-N 1 0 213.212 1.129 10 5 BDBERO CN(CC[NH3+])c1cccc(F)c1[N+](=O)[O-] ZINC000054419608 636636863 /nfs/dbraw/zinc/63/68/63/636636863.db2.gz CKQGSJYKTPCIKY-UHFFFAOYSA-N 1 0 213.212 1.129 10 5 BDBERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000311080143 638591025 /nfs/dbraw/zinc/59/10/25/638591025.db2.gz LTAKTVWZWYYMPI-OASPWFOLSA-N 1 0 247.298 1.768 10 5 BDBERO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000050244108 643656700 /nfs/dbraw/zinc/65/67/00/643656700.db2.gz PDHCFPJKIYJUSY-ZETCQYMHSA-N 1 0 225.223 1.271 10 5 BDBERO Cc1cnc(N[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000721859958 711791717 /nfs/dbraw/zinc/79/17/17/711791717.db2.gz ISSOMWDMZDZZJC-RKDXNWHRSA-N 1 0 236.275 1.318 10 5 BDBERO Cc1ccc(N2C[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000708856063 712201332 /nfs/dbraw/zinc/20/13/32/712201332.db2.gz YZOUPUJTBGBNCI-QWRGUYRKSA-N 1 0 249.314 1.934 10 5 BDBERO Cc1nc(NC[C@H]2C[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715082864 712507014 /nfs/dbraw/zinc/50/70/14/712507014.db2.gz SHVWCVMWECPGIK-DTORHVGOSA-N 1 0 236.275 1.447 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715093710 712507939 /nfs/dbraw/zinc/50/79/39/712507939.db2.gz NYQQOCYLMIEBMN-KYZUINATSA-N 1 0 236.275 1.447 10 5 BDBERO CC(=O)Oc1cccnc1C[N+](C)(C)C ZINC000013232440 717107114 /nfs/dbraw/zinc/10/71/14/717107114.db2.gz RFGLMXQFLRROLP-UHFFFAOYSA-N 1 0 209.269 1.213 10 5 BDBERO C[C@@H]1CCC[C@@H](C[N+]23CCN(CC2)CC3)C1 ZINC000092197659 717138227 /nfs/dbraw/zinc/13/82/27/717138227.db2.gz FJUVFQHINURALD-ZIAGYGMSSA-N 1 0 223.384 1.959 10 5 BDBERO Cc1ccnc(N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320012276 342731294 /nfs/dbraw/zinc/73/12/94/342731294.db2.gz AEYPNLSTHQEEIA-RKDXNWHRSA-N 1 0 238.291 1.836 10 5 BDBERO [NH3+]Cc1cc(OC(F)(F)F)nc([N+](=O)[O-])c1 ZINC000309233974 342920251 /nfs/dbraw/zinc/92/02/51/342920251.db2.gz ZTCGIQSGUSLFEN-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000600961774 344019527 /nfs/dbraw/zinc/01/95/27/344019527.db2.gz WFUBFKCEKPMSMM-QWRGUYRKSA-N 1 0 249.314 1.934 10 5 BDBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000320600047 344443577 /nfs/dbraw/zinc/44/35/77/344443577.db2.gz XBXAXCPISAKSSS-YUMQZZPRSA-N 1 0 224.264 1.528 10 5 BDBERO COc1cc(NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000084718379 344465287 /nfs/dbraw/zinc/46/52/87/344465287.db2.gz BWSTZRUJFFARGJ-SSDOTTSWSA-N 1 0 225.248 1.363 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000381348853 344496380 /nfs/dbraw/zinc/49/63/80/344496380.db2.gz HLRVPLNCOOPBEJ-YUMQZZPRSA-N 1 0 239.275 1.751 10 5 BDBERO C[C@@H]([NH3+])[C@@H](C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000381690514 344535114 /nfs/dbraw/zinc/53/51/14/344535114.db2.gz FJZSUOJXEBIXMC-RNFRBKRXSA-N 1 0 249.274 1.041 10 5 BDBERO Cc1ccc(N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071311889 178700213 /nfs/dbraw/zinc/70/02/13/178700213.db2.gz CNKWDTXTKMQHDP-SNVBAGLBSA-N 1 0 235.287 1.701 10 5 BDBERO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000600961285 344683727 /nfs/dbraw/zinc/68/37/27/344683727.db2.gz PCWDFYJMJDQNGB-MNOVXSKESA-N 1 0 249.314 1.934 10 5 BDBERO Cc1cc(N2C[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000600963671 344949028 /nfs/dbraw/zinc/94/90/28/344949028.db2.gz YHWGIHSMIYKPCI-ZJUUUORDSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+][C@@H](CCO)c1cc([N+](=O)[O-])ccc1Cl ZINC000044232580 344988335 /nfs/dbraw/zinc/98/83/35/344988335.db2.gz ATVNBVBNQNNMKM-VIFPVBQESA-N 1 0 230.651 1.630 10 5 BDBERO C[NH+](C)CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000113321919 345753397 /nfs/dbraw/zinc/75/33/97/345753397.db2.gz RUAMGRRZPDAVIV-UHFFFAOYSA-N 1 0 225.248 1.117 10 5 BDBERO CN(CC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000594692689 348099907 /nfs/dbraw/zinc/09/99/07/348099907.db2.gz AOQKPAHQMMGXGJ-UHFFFAOYSA-N 1 0 223.276 1.768 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000596031207 348426609 /nfs/dbraw/zinc/42/66/09/348426609.db2.gz BZOUBPXJZPUZNA-SECBINFHSA-N 1 0 223.276 1.923 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000596031839 348427358 /nfs/dbraw/zinc/42/73/58/348427358.db2.gz HEZNNKWWLKBQIK-SECBINFHSA-N 1 0 223.276 1.923 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH2+]C ZINC000596033131 348427947 /nfs/dbraw/zinc/42/79/47/348427947.db2.gz QYEJSMXKDATLHR-ZETCQYMHSA-N 1 0 241.295 1.139 10 5 BDBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382407255 350599504 /nfs/dbraw/zinc/59/95/04/350599504.db2.gz BQRUDXWSWLJUOF-RKDXNWHRSA-N 1 0 236.275 1.529 10 5 BDBERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000320601475 323574339 /nfs/dbraw/zinc/57/43/39/323574339.db2.gz XEOQXAADLXDOJV-RITPCOANSA-N 1 0 230.293 1.589 10 5 BDBERO CC(C)C[C@@H]1SC[C@H]([NH3+])[C@@H]1[N+](=O)[O-] ZINC000307558276 352646724 /nfs/dbraw/zinc/64/67/24/352646724.db2.gz DCVSSXKJIRFPPW-FXQIFTODSA-N 1 0 204.295 1.121 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH2+]CC1 ZINC000052813000 352981288 /nfs/dbraw/zinc/98/12/88/352981288.db2.gz LEQNKWYLJDIPCS-UHFFFAOYSA-N 1 0 236.275 1.462 10 5 BDBERO C[NH+]1CCC(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000040434166 188118048 /nfs/dbraw/zinc/11/80/48/188118048.db2.gz MZQRCMVKBHUCEM-UHFFFAOYSA-N 1 0 235.287 1.986 10 5 BDBERO [NH3+]CC[C@H](Nc1ccccc1[N+](=O)[O-])C(F)F ZINC000383502250 353582719 /nfs/dbraw/zinc/58/27/19/353582719.db2.gz ZYXOZLQDFMRENQ-QMMMGPOBSA-N 1 0 245.229 1.989 10 5 BDBERO [NH3+]C[C@@H]1CC[C@@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000675060235 538486224 /nfs/dbraw/zinc/48/62/24/538486224.db2.gz CKGGDLMXVRCDFF-PWSUYJOCSA-N 1 0 236.271 1.816 10 5 BDBERO [NH3+]C1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000055144738 181342711 /nfs/dbraw/zinc/34/27/11/181342711.db2.gz NDVXMDOGBAYKEC-UHFFFAOYSA-N 1 0 210.237 1.234 10 5 BDBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])c(OC)c1 ZINC000122815584 363838469 /nfs/dbraw/zinc/83/84/69/363838469.db2.gz NYBSFRVYVDBKTO-UHFFFAOYSA-N 1 0 239.275 1.388 10 5 BDBERO [NH3+]C[C@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000675060442 541463419 /nfs/dbraw/zinc/46/34/19/541463419.db2.gz HJJIYUDUKGVJJF-CMPLNLGQSA-N 1 0 236.271 1.816 10 5 BDBERO [NH3+]C[C@@]1(CO)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000070500297 181440934 /nfs/dbraw/zinc/44/09/34/181440934.db2.gz WYWSQLSUDMHEAL-GHMZBOCLSA-N 1 0 222.244 1.020 10 5 BDBERO [NH3+]Cc1cc(Br)cc([N+](=O)[O-])n1 ZINC000095766761 181475459 /nfs/dbraw/zinc/47/54/59/181475459.db2.gz UBWYQLMXYJUGSY-UHFFFAOYSA-N 1 0 232.037 1.211 10 5 BDBERO C[C@@H]([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000082584548 371011908 /nfs/dbraw/zinc/01/19/08/371011908.db2.gz KCRAVOBJYYQAEY-ZCFIWIBFSA-N 1 0 213.212 1.493 10 5 BDBERO CCOc1ccc([N+](=O)[O-])cc1C(N)=[NH2+] ZINC000020177102 371238987 /nfs/dbraw/zinc/23/89/87/371238987.db2.gz TZBYATAZIGZTOI-UHFFFAOYSA-N 1 0 209.205 1.278 10 5 BDBERO C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600961247 371716456 /nfs/dbraw/zinc/71/64/56/371716456.db2.gz OLBRVOAFICEXDW-UWVGGRQHSA-N 1 0 235.287 1.626 10 5 BDBERO O=[N+]([O-])c1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000040434984 373264461 /nfs/dbraw/zinc/26/44/61/373264461.db2.gz ITEVBCJFFPDAJJ-SECBINFHSA-N 1 0 237.259 1.368 10 5 BDBERO O=[N+]([O-])c1ccccc1COC[C@H]1CC[NH2+]C1 ZINC000051888417 182949113 /nfs/dbraw/zinc/94/91/13/182949113.db2.gz AJLSGHMGILCMBV-JTQLQIEISA-N 1 0 236.271 1.721 10 5 BDBERO CCOc1cc(NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000104226488 384814180 /nfs/dbraw/zinc/81/41/80/384814180.db2.gz WHQXAHMTFHNSEB-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408348122 386166801 /nfs/dbraw/zinc/16/68/01/386166801.db2.gz ZCZTWFAOBRZSSA-DTWKUNHWSA-N 1 0 238.291 1.559 10 5 BDBERO [NH3+]CCC[C@@H]([NH3+])c1cc([N+](=O)[O-])ccc1Cl ZINC000575438514 387131206 /nfs/dbraw/zinc/13/12/06/387131206.db2.gz KETWEKDJAJBHLO-SNVBAGLBSA-N 1 0 243.694 1.987 10 5 BDBERO [NH3+]CCC[C@@H]([NH3+])c1ccc([O-])c([N+](=O)[O-])c1 ZINC000575438745 387119663 /nfs/dbraw/zinc/11/96/63/387119663.db2.gz GZQYPXOAZHCAGH-MRVPVSSYSA-N 1 0 225.248 1.039 10 5 BDBERO [NH3+][C@H]1CCCN(c2cccc([N+](=O)[O-])c2)C1 ZINC000041030086 132348960 /nfs/dbraw/zinc/34/89/60/132348960.db2.gz NKKIHPJAIMAEEP-VIFPVBQESA-N 1 0 221.260 1.522 10 5 BDBERO C[C@H]1CN(c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000052783455 132362478 /nfs/dbraw/zinc/36/24/78/132362478.db2.gz ZCVQXBBRPGDEPQ-VIFPVBQESA-N 1 0 221.260 1.393 10 5 BDBERO CC[NH2+]CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000041612369 170110962 /nfs/dbraw/zinc/11/09/62/170110962.db2.gz OXDFNWGUCXRSGK-UHFFFAOYSA-N 1 0 208.217 1.387 10 5 BDBERO CC[NH2+]C[C@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000071531582 170122889 /nfs/dbraw/zinc/12/28/89/170122889.db2.gz ZCCUKNIOQKQBSW-LLVKDONJSA-N 1 0 224.260 1.108 10 5 BDBERO CN(C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cn1 ZINC000095070930 172809520 /nfs/dbraw/zinc/80/95/20/172809520.db2.gz ZWIXFFQJJZCUQV-VIFPVBQESA-N 1 0 236.275 1.178 10 5 BDBERO C[C@@H](C[NH3+])COc1ccc([N+](=O)[O-])cc1 ZINC000070065015 175708322 /nfs/dbraw/zinc/70/83/22/175708322.db2.gz NAGOFEQWSRXDCW-QMMMGPOBSA-N 1 0 210.233 1.568 10 5 BDBERO C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000111302845 323158613 /nfs/dbraw/zinc/15/86/13/323158613.db2.gz ZXPNCLXBFWDIDI-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO COc1cc(N[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1F ZINC000111302721 323158624 /nfs/dbraw/zinc/15/86/24/323158624.db2.gz HFHNZRAWJJVMPW-LURJTMIESA-N 1 0 243.238 1.502 10 5 BDBERO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000116942488 589059476 /nfs/dbraw/zinc/05/94/76/589059476.db2.gz MODJLNUSPSLRSY-VIFPVBQESA-N 1 0 221.260 1.393 10 5 BDBERO Cc1cc(N(C)C[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000310533187 632756955 /nfs/dbraw/zinc/75/69/55/632756955.db2.gz OMYSYKNDSBRVBV-MRVPVSSYSA-N 1 0 241.266 1.826 10 5 BDBERO CCN(CC[NH3+])c1ccc(C)cc1[N+](=O)[O-] ZINC000165929002 640599636 /nfs/dbraw/zinc/59/96/36/640599636.db2.gz YOJSXCANZGVUTA-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251594084 641071918 /nfs/dbraw/zinc/07/19/18/641071918.db2.gz CWSDAZFFCYFPJE-BXKDBHETSA-N 1 0 235.287 1.768 10 5 BDBERO CC1(C)C[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000721934849 710692724 /nfs/dbraw/zinc/69/27/24/710692724.db2.gz RGKDODAFHKYJHQ-LURJTMIESA-N 1 0 242.304 1.461 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000715073017 712505992 /nfs/dbraw/zinc/50/59/92/712505992.db2.gz FAAKYTVMWPIVMP-ZKCHVHJHSA-N 1 0 222.248 1.139 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715082089 712506993 /nfs/dbraw/zinc/50/69/93/712506993.db2.gz NYQQOCYLMIEBMN-DTORHVGOSA-N 1 0 236.275 1.447 10 5 BDBERO CC1(C)CN(c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000720816159 712868105 /nfs/dbraw/zinc/86/81/05/712868105.db2.gz GXJORPFRQGOKIG-NSHDSACASA-N 1 0 235.287 1.768 10 5 BDBERO CC1(C)CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH3+] ZINC000720826929 712868696 /nfs/dbraw/zinc/86/86/96/712868696.db2.gz NSKRIHPBHNVTOE-SECBINFHSA-N 1 0 236.275 1.163 10 5 BDBERO CCCCNC(=O)OCC[N+](C)(C)C ZINC000005821299 717102950 /nfs/dbraw/zinc/10/29/50/717102950.db2.gz WNWLVZGBRZIFSE-UHFFFAOYSA-O 1 0 203.306 1.219 10 5 BDBERO Cc1cc(NC(=O)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1C ZINC000050439794 178144100 /nfs/dbraw/zinc/14/41/00/178144100.db2.gz HOOZZOOVCZZYRQ-MRVPVSSYSA-N 1 0 237.259 1.497 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH3+])C1 ZINC000050244118 178271937 /nfs/dbraw/zinc/27/19/37/178271937.db2.gz YBMLADWJYQAURI-VIFPVBQESA-N 1 0 221.260 1.441 10 5 BDBERO CNc1nc(N)c2cc([N+](=O)[O-])ccc2n1 ZINC000253562219 398290334 /nfs/dbraw/zinc/29/03/34/398290334.db2.gz DAPITPORCBSPJW-UHFFFAOYSA-N 1 0 219.204 1.162 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NCCC[NH3+])n1 ZINC000088035910 136284004 /nfs/dbraw/zinc/28/40/04/136284004.db2.gz UFDMUSNNAXFIGV-UHFFFAOYSA-N 1 0 210.237 1.059 10 5 BDBERO Cn1cc[n+](-c2ccc([N+](=O)[O-])cc2)c1 ZINC000015783726 343268376 /nfs/dbraw/zinc/26/83/76/343268376.db2.gz OJOSFMKGFDBUQE-UHFFFAOYSA-N 1 0 204.209 1.210 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@H](C)[NH3+] ZINC000394463721 259357946 /nfs/dbraw/zinc/35/79/46/259357946.db2.gz XEHVMCCZGVKORI-BQBZGAKWSA-N 1 0 241.295 1.267 10 5 BDBERO O=[N+]([O-])c1cnn([C@@H]2C[NH+]3CCC2CC3)c1 ZINC000217659207 343315270 /nfs/dbraw/zinc/31/52/70/343315270.db2.gz ONRLRVPWGFYJKQ-SNVBAGLBSA-N 1 0 222.248 1.058 10 5 BDBERO [NH3+]Cc1cnc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000309502028 343643914 /nfs/dbraw/zinc/64/39/14/343643914.db2.gz IBABARIUNCVMNM-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO CCOc1cccc(NC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000135053193 343631625 /nfs/dbraw/zinc/63/16/25/343631625.db2.gz VMZZVEXMSJTCJM-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@@H]([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149427494 347044670 /nfs/dbraw/zinc/04/46/70/347044670.db2.gz VHWBMUQUCOTBBD-RXMQYKEDSA-N 1 0 230.655 1.402 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)CCC[NH3+])c1 ZINC000227749553 345550734 /nfs/dbraw/zinc/55/07/34/345550734.db2.gz NCUFXMWNNKPVFE-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH3+] ZINC000394463840 345518271 /nfs/dbraw/zinc/51/82/71/345518271.db2.gz XEHVMCCZGVKORI-RNFRBKRXSA-N 1 0 241.295 1.267 10 5 BDBERO C[C@@H]([NH3+])CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000111302657 347415790 /nfs/dbraw/zinc/41/57/90/347415790.db2.gz XYECDPRDWVABDV-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO C[C@@H]([NH3+])CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000591437852 347661022 /nfs/dbraw/zinc/66/10/22/347661022.db2.gz PABPXZCYQRNJCT-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000596031203 348426551 /nfs/dbraw/zinc/42/65/51/348426551.db2.gz BWCSRXSSCMJPHB-RXMQYKEDSA-N 1 0 216.266 1.071 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH2+]C ZINC000596033130 348427851 /nfs/dbraw/zinc/42/78/51/348427851.db2.gz QYEJSMXKDATLHR-SSDOTTSWSA-N 1 0 241.295 1.139 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596033309 348427897 /nfs/dbraw/zinc/42/78/97/348427897.db2.gz TXFBPFQOOPCEIC-ZETCQYMHSA-N 1 0 210.237 1.010 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000596033286 348428038 /nfs/dbraw/zinc/42/80/38/348428038.db2.gz SVAZLZCLRXEMPH-MRVPVSSYSA-N 1 0 224.264 1.318 10 5 BDBERO Cc1cc(NC[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000086003217 350852824 /nfs/dbraw/zinc/85/28/24/350852824.db2.gz NQCFUMFZIVBOBD-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NCC[C@H](C)[NH3+] ZINC000063171353 351269589 /nfs/dbraw/zinc/26/95/89/351269589.db2.gz LRJJBGUSVBQTBV-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO COc1cc(N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000133836717 352593385 /nfs/dbraw/zinc/59/33/85/352593385.db2.gz PCTRLKXFNFBDOY-UHFFFAOYSA-N 1 0 239.275 1.388 10 5 BDBERO [NH3+]Cc1ccc([N+](=O)[O-])c(F)c1Br ZINC000307555419 352648816 /nfs/dbraw/zinc/64/88/16/352648816.db2.gz IEKOWMAEOVMOED-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO C[C@H](C[NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000420208219 192175859 /nfs/dbraw/zinc/17/58/59/192175859.db2.gz AYVPDZIJPRXNRZ-ZCFIWIBFSA-N 1 0 244.682 1.650 10 5 BDBERO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000111830466 188182038 /nfs/dbraw/zinc/18/20/38/188182038.db2.gz RDWCZVLNRKUARU-SECBINFHSA-N 1 0 238.291 1.775 10 5 BDBERO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH3+])c1 ZINC000087544517 355365976 /nfs/dbraw/zinc/36/59/76/355365976.db2.gz ISUYUHZHVWFBQT-SSDOTTSWSA-N 1 0 225.248 1.363 10 5 BDBERO COc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH3+])c1 ZINC000087544515 355365980 /nfs/dbraw/zinc/36/59/80/355365980.db2.gz ISUYUHZHVWFBQT-ZETCQYMHSA-N 1 0 225.248 1.363 10 5 BDBERO Cc1cnc(NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000090692661 363560294 /nfs/dbraw/zinc/56/02/94/363560294.db2.gz VLVBPXQLQIPSRF-VIFPVBQESA-N 1 0 238.291 1.693 10 5 BDBERO CC[C@H]([NH2+]CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036721044 361388778 /nfs/dbraw/zinc/38/87/78/361388778.db2.gz GUIKMKYJDMGMNW-JTQLQIEISA-N 1 0 237.259 1.121 10 5 BDBERO [NH3+]C1CC(Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000037666698 181340167 /nfs/dbraw/zinc/34/01/67/181340167.db2.gz RFJOKUZYHPMDOB-UHFFFAOYSA-N 1 0 225.223 1.636 10 5 BDBERO [NH3+]CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000101994377 181383471 /nfs/dbraw/zinc/38/34/71/181383471.db2.gz RMYLCLCFPKCLLB-UHFFFAOYSA-N 1 0 241.276 1.065 10 5 BDBERO [NH3+]CCCNc1ccc(O)cc1[N+](=O)[O-] ZINC000135291675 181384080 /nfs/dbraw/zinc/38/40/80/181384080.db2.gz GBWAHUSPIWFYIE-UHFFFAOYSA-N 1 0 211.221 1.061 10 5 BDBERO [NH3+]CCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000051870607 181384833 /nfs/dbraw/zinc/38/48/33/181384833.db2.gz HHWQGQWUZQSIOX-UHFFFAOYSA-N 1 0 247.254 1.871 10 5 BDBERO [NH3+]Cc1cnn(-c2ccccc2[N+](=O)[O-])c1 ZINC000019965460 181494079 /nfs/dbraw/zinc/49/40/79/181494079.db2.gz TVRFDGPLAKIFOW-UHFFFAOYSA-N 1 0 218.216 1.239 10 5 BDBERO Cc1ccnc(NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000070496523 371037255 /nfs/dbraw/zinc/03/72/55/371037255.db2.gz GFVSDSJFHISLGB-UHFFFAOYSA-N 1 0 236.275 1.462 10 5 BDBERO Cc1nc(NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000124124478 371151229 /nfs/dbraw/zinc/15/12/29/371151229.db2.gz REELCBXAJGPFMO-ZCFIWIBFSA-N 1 0 210.237 1.057 10 5 BDBERO C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C[NH2+]1 ZINC000600955429 371714689 /nfs/dbraw/zinc/71/46/89/371714689.db2.gz MILLABYMUXCGIS-RQJHMYQMSA-N 1 0 242.304 1.604 10 5 BDBERO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327387 371747317 /nfs/dbraw/zinc/74/73/17/371747317.db2.gz UXMUHUVXZHHQKM-CMPLNLGQSA-N 1 0 249.314 1.621 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N(C)CCC[NH3+])c1 ZINC000133834445 372120943 /nfs/dbraw/zinc/12/09/43/372120943.db2.gz OQOXAETXIGROPS-UHFFFAOYSA-N 1 0 239.275 1.388 10 5 BDBERO [NH3+][C@H]1CCCc2cc([N+](=O)[O-])ccc2[C@@H]1O ZINC000008699483 372855188 /nfs/dbraw/zinc/85/51/88/372855188.db2.gz QQQFYJCEGAMVAE-QWRGUYRKSA-N 1 0 222.244 1.292 10 5 BDBERO O=[N+]([O-])c1ccc(Cl)cc1OC1C[NH2+]C1 ZINC000054931740 182932701 /nfs/dbraw/zinc/93/27/01/182932701.db2.gz LHWNMKVRDHVWAQ-UHFFFAOYSA-N 1 0 228.635 1.599 10 5 BDBERO O=[N+]([O-])c1ccc2oc(N[C@@H]3CC[NH2+]C3)nc2c1 ZINC000094356946 182943139 /nfs/dbraw/zinc/94/31/39/182943139.db2.gz UXOCMVZHOXIHIM-SSDOTTSWSA-N 1 0 248.242 1.510 10 5 BDBERO Cc1ccc([C@H](C)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000038086679 384057395 /nfs/dbraw/zinc/05/73/95/384057395.db2.gz VHGDDRTUSYZGSY-NSHDSACASA-N 1 0 249.314 1.869 10 5 BDBERO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000394445571 384193382 /nfs/dbraw/zinc/19/33/82/384193382.db2.gz FGCLPUKPUPRTQN-SFYZADRCSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000336710604 384253011 /nfs/dbraw/zinc/25/30/11/384253011.db2.gz NCDFEEVUWJHNGI-VIFPVBQESA-N 1 0 238.291 1.919 10 5 BDBERO C[C@@H](C[NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000308994916 384390862 /nfs/dbraw/zinc/39/08/62/384390862.db2.gz PIYASKFZDJKKIB-QMMMGPOBSA-N 1 0 209.249 1.602 10 5 BDBERO O=[N+]([O-])c1ccc(S[C@H]2CCC[NH2+]C2)nc1 ZINC000095091972 384828307 /nfs/dbraw/zinc/82/83/07/384828307.db2.gz ZDBXYEIRXXDSEW-VIFPVBQESA-N 1 0 239.300 1.834 10 5 BDBERO O=[N+]([O-])c1ccccc1[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC000536954212 384802549 /nfs/dbraw/zinc/80/25/49/384802549.db2.gz JXPDUVOHBLUOTB-LSJOCFKGSA-N 1 0 218.256 1.918 10 5 BDBERO [NH3+][C@H](CO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000072198300 384814948 /nfs/dbraw/zinc/81/49/48/384814948.db2.gz ZUBSSHDNHDPASN-SSDOTTSWSA-N 1 0 216.624 1.240 10 5 BDBERO CCc1cc([N+](=O)[O-])cc(OC)c1C[NH3+] ZINC000575725325 384911351 /nfs/dbraw/zinc/91/13/51/384911351.db2.gz JXLWITRPSWDILT-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO C[C@@H](C[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149427708 385559391 /nfs/dbraw/zinc/55/93/91/385559391.db2.gz IPUXOSPXHFUTKX-YFKPBYRVSA-N 1 0 230.655 1.402 10 5 BDBERO CCc1c(C[NH3+])cc([N+](=O)[O-])cc1OC ZINC000575724825 387459746 /nfs/dbraw/zinc/45/97/46/387459746.db2.gz DIVKOTNJGVNBLC-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO O=[N+]([O-])c1cnc(NCC23CC(C2)C[NH2+]3)s1 ZINC000596027090 388400423 /nfs/dbraw/zinc/40/04/23/388400423.db2.gz OLHSVPJKKIUQRC-UHFFFAOYSA-N 1 0 240.288 1.215 10 5 BDBERO Cc1cnc(NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000596027202 388400697 /nfs/dbraw/zinc/40/06/97/388400697.db2.gz PUFCGZWNCPQCQP-UHFFFAOYSA-N 1 0 248.286 1.462 10 5 BDBERO O=[N+]([O-])c1ccccc1NCC12CC(C1)C[NH2+]2 ZINC000596027674 388400795 /nfs/dbraw/zinc/40/07/95/388400795.db2.gz SDYHTKPVYVLSLE-UHFFFAOYSA-N 1 0 233.271 1.759 10 5 BDBERO C[NH2+]C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000095071532 388757592 /nfs/dbraw/zinc/75/75/92/388757592.db2.gz FDALZCZJSTZXOR-UHFFFAOYSA-N 1 0 236.275 1.178 10 5 BDBERO Cc1ccc(N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000036754958 132331483 /nfs/dbraw/zinc/33/14/83/132331483.db2.gz XLOPRZXRXWYLSF-UHFFFAOYSA-N 1 0 235.287 1.831 10 5 BDBERO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261540756 135179895 /nfs/dbraw/zinc/17/98/95/135179895.db2.gz HQUDUSVDMZQRSA-IONNQARKSA-N 1 0 239.250 1.517 10 5 BDBERO CC(C)[NH2+]CCCOc1cc([N+](=O)[O-])ccn1 ZINC000051872368 167102035 /nfs/dbraw/zinc/10/20/35/167102035.db2.gz RWWXWJSAVFMNQK-UHFFFAOYSA-N 1 0 239.275 1.757 10 5 BDBERO CC(C)[NH2+]C[C@H](O)Cc1ccccc1[N+](=O)[O-] ZINC000071548717 167115330 /nfs/dbraw/zinc/11/53/30/167115330.db2.gz MSFIOJYMLASWOO-LLVKDONJSA-N 1 0 238.287 1.496 10 5 BDBERO CC[NH2+]CCNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000054267373 170116484 /nfs/dbraw/zinc/11/64/84/170116484.db2.gz FOHFQCZHDWEIIY-UHFFFAOYSA-N 1 0 245.229 1.894 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H](C)[NH3+] ZINC000310458852 172137141 /nfs/dbraw/zinc/13/71/41/172137141.db2.gz VFENTRJTKJSFMT-SSDOTTSWSA-N 1 0 241.295 1.269 10 5 BDBERO C[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000019776859 173350056 /nfs/dbraw/zinc/35/00/56/173350056.db2.gz RQDAABKWTADXDO-UHFFFAOYSA-N 1 0 210.233 1.583 10 5 BDBERO C[NH2+]C[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000054588590 173372332 /nfs/dbraw/zinc/37/23/32/173372332.db2.gz FXVNLTSPMLNYFS-ONGXEEELSA-N 1 0 206.245 1.918 10 5 BDBERO COC(=O)C[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000015440689 173625507 /nfs/dbraw/zinc/62/55/07/173625507.db2.gz WCYSVIMUYDWOPM-SECBINFHSA-N 1 0 224.216 1.158 10 5 BDBERO COc1cc(NC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000104250663 175000453 /nfs/dbraw/zinc/00/04/53/175000453.db2.gz HMMYTKHOZNQGBZ-UHFFFAOYSA-N 1 0 239.275 1.753 10 5 BDBERO COc1cc(N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336675955 175004092 /nfs/dbraw/zinc/00/40/92/175004092.db2.gz CDLOEZBRCJJIEJ-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[N+](C)(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000000347459 177486642 /nfs/dbraw/zinc/48/66/42/177486642.db2.gz SUABONCJAACDMX-UHFFFAOYSA-N 1 0 225.268 1.680 10 5 BDBERO O=[N+]([O-])c1ccccc1[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC000536954213 323962381 /nfs/dbraw/zinc/96/23/81/323962381.db2.gz JXPDUVOHBLUOTB-MIMYLULJSA-N 1 0 218.256 1.918 10 5 BDBERO [NH3+]CC1(c2ccc([N+](=O)[O-])cn2)CC(F)(F)C1 ZINC000757188334 582555300 /nfs/dbraw/zinc/55/53/00/582555300.db2.gz AESYZKBPNHZMHB-UHFFFAOYSA-N 1 0 243.213 1.615 10 5 BDBERO C[NH2+][C@@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000261562864 536345033 /nfs/dbraw/zinc/34/50/33/536345033.db2.gz BRMHHOWYJUIDQF-QMMMGPOBSA-N 1 0 224.264 1.318 10 5 BDBERO Cc1cc2c(c([N+](=O)[O-])c1)O[C@@H](C)[C@H]2[NH3+] ZINC000757175911 582553254 /nfs/dbraw/zinc/55/32/54/582553254.db2.gz PQDFUHHBPICGBL-IMTBSYHQSA-N 1 0 208.217 1.684 10 5 BDBERO O=[N+]([O-])c1cc(F)c(N2CC[NH2+]CC2)c(F)c1 ZINC000141736326 583605295 /nfs/dbraw/zinc/60/52/95/583605295.db2.gz PGVWPTCKEWJEDV-UHFFFAOYSA-N 1 0 243.213 1.283 10 5 BDBERO [NH3+][C@H]1CCCc2ccc([N+](=O)[O-])cc2C1 ZINC000757175819 586433045 /nfs/dbraw/zinc/43/30/45/586433045.db2.gz YVJUTQSVRGWOOX-JTQLQIEISA-N 1 0 206.245 1.801 10 5 BDBERO Cc1ccc([N+](=O)[O-])c2c1[C@H]([NH3+])[C@@H](C)O2 ZINC000757175597 586433132 /nfs/dbraw/zinc/43/31/32/586433132.db2.gz BRXCQDSFSHRTNH-HZGVNTEJSA-N 1 0 208.217 1.684 10 5 BDBERO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000133303759 591785391 /nfs/dbraw/zinc/78/53/91/591785391.db2.gz PEUOCCWZKKMTLB-GFCCVEGCSA-N 1 0 235.287 1.783 10 5 BDBERO C[C@H](C[NH3+])c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000054158806 635775692 /nfs/dbraw/zinc/77/56/92/635775692.db2.gz HFDBXOAJKWPUIO-SSDOTTSWSA-N 1 0 248.242 1.707 10 5 BDBERO C[C@@H](C[NH3+])c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000054158805 635776055 /nfs/dbraw/zinc/77/60/55/635776055.db2.gz HFDBXOAJKWPUIO-ZETCQYMHSA-N 1 0 248.242 1.707 10 5 BDBERO C[C@@H](O)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000308972008 632601724 /nfs/dbraw/zinc/60/17/24/632601724.db2.gz ADYLXXYPXDXEAX-RNFRBKRXSA-N 1 0 230.289 1.515 10 5 BDBERO C[C@@H]([NH3+])CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000309192439 632745981 /nfs/dbraw/zinc/74/59/81/632745981.db2.gz JQZVUGJDCGNKCQ-SSDOTTSWSA-N 1 0 227.239 1.517 10 5 BDBERO Cc1cnc(N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000309441152 633076308 /nfs/dbraw/zinc/07/63/08/633076308.db2.gz OCGXXWXABIDOMN-QMMMGPOBSA-N 1 0 224.264 1.082 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000311025636 636855199 /nfs/dbraw/zinc/85/51/99/636855199.db2.gz CBSUCSDWULHBJK-GWCFXTLKSA-N 1 0 247.298 1.783 10 5 BDBERO CC(C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773226 644727289 /nfs/dbraw/zinc/72/72/89/644727289.db2.gz YRDIQNNMQBMYLQ-UHFFFAOYSA-N 1 0 242.250 1.594 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000723787726 710731247 /nfs/dbraw/zinc/73/12/47/710731247.db2.gz BEKZFOWPJTYTDS-BDAKNGLRSA-N 1 0 236.275 1.257 10 5 BDBERO Cc1ccnc(NC[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715094417 712508366 /nfs/dbraw/zinc/50/83/66/712508366.db2.gz TVDIBPFCRYHEHC-KYZUINATSA-N 1 0 236.275 1.447 10 5 BDBERO C=CC(=O)O[C@@H](C)C[N+](C)(CC)CC ZINC000038644585 717126007 /nfs/dbraw/zinc/12/60/07/717126007.db2.gz NNGYYZNYIFAELU-JTQLQIEISA-N 1 0 200.302 1.591 10 5 BDBERO Fc1cccc(F)c1C[N+]12CCN(CC1)CC2 ZINC000169574449 717156526 /nfs/dbraw/zinc/15/65/26/717156526.db2.gz XPNUGXDZFUAHNT-UHFFFAOYSA-N 1 0 239.289 1.611 10 5 BDBERO Clc1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000007613147 717105426 /nfs/dbraw/zinc/10/54/26/717105426.db2.gz IGLOMRZBAYVFIA-UHFFFAOYSA-N 1 0 237.754 1.986 10 5 BDBERO Cc1cc(NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000309341959 178164572 /nfs/dbraw/zinc/16/45/72/178164572.db2.gz LHEYPBMKLNFMNH-QMMMGPOBSA-N 1 0 223.276 1.910 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H](C)[NH3+] ZINC000037608288 178272695 /nfs/dbraw/zinc/27/26/95/178272695.db2.gz ZRRIMQRGAWLYMW-MRVPVSSYSA-N 1 0 237.259 1.579 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1CC1 ZINC000037386748 178273014 /nfs/dbraw/zinc/27/30/14/178273014.db2.gz HPQQUWFEOCCKJK-UHFFFAOYSA-N 1 0 249.270 1.594 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)CC[NH3+] ZINC000309445013 178275216 /nfs/dbraw/zinc/27/52/16/178275216.db2.gz MQYRNYLFUZYJSF-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CCC[NH3+] ZINC000310249708 178275532 /nfs/dbraw/zinc/27/55/32/178275532.db2.gz FQTIOAHRUXZSLC-VIFPVBQESA-N 1 0 238.291 1.838 10 5 BDBERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000600961284 344022280 /nfs/dbraw/zinc/02/22/80/344022280.db2.gz PCWDFYJMJDQNGB-GHMZBOCLSA-N 1 0 249.314 1.934 10 5 BDBERO CC(C)(C)c1cc2n(n1)C1=NCC[N@+]1(C)C=N2 ZINC000247694029 344384302 /nfs/dbraw/zinc/38/43/02/344384302.db2.gz YCLMSDNXVONSGO-QGZVFWFLSA-N 1 0 232.311 1.518 10 5 BDBERO COc1cc(NC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000084718378 344465433 /nfs/dbraw/zinc/46/54/33/344465433.db2.gz BWSTZRUJFFARGJ-ZETCQYMHSA-N 1 0 225.248 1.363 10 5 BDBERO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381561282 344520676 /nfs/dbraw/zinc/52/06/76/344520676.db2.gz HYPKSXHIKBOSAD-NTSWFWBYSA-N 1 0 244.682 1.791 10 5 BDBERO C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H](C)[NH3+] ZINC000381690512 344535033 /nfs/dbraw/zinc/53/50/33/344535033.db2.gz FJZSUOJXEBIXMC-NKWVEPMBSA-N 1 0 249.274 1.041 10 5 BDBERO Cc1nc(N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000594693328 348099983 /nfs/dbraw/zinc/09/99/83/348099983.db2.gz MVQINGRUKKRECR-UHFFFAOYSA-N 1 0 238.291 1.472 10 5 BDBERO CN(CC(C)(C)[NH3+])c1ncccc1[N+](=O)[O-] ZINC000594693848 348101071 /nfs/dbraw/zinc/10/10/71/348101071.db2.gz WLWNXPPDNBRUDC-UHFFFAOYSA-N 1 0 224.264 1.163 10 5 BDBERO O=[N+]([O-])c1cc(C[NH2+]C2CC(CO)C2)cs1 ZINC000595000330 348168471 /nfs/dbraw/zinc/16/84/71/348168471.db2.gz FDJMFGJJOKXVKJ-UHFFFAOYSA-N 1 0 242.300 1.517 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000596031208 348426532 /nfs/dbraw/zinc/42/65/32/348426532.db2.gz BZOUBPXJZPUZNA-VIFPVBQESA-N 1 0 223.276 1.923 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000596032160 348427404 /nfs/dbraw/zinc/42/74/04/348427404.db2.gz HRPWSCXSTCZKAS-MRVPVSSYSA-N 1 0 224.264 1.318 10 5 BDBERO Cc1nn(C[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000051890490 180391075 /nfs/dbraw/zinc/39/10/75/180391075.db2.gz XHTLCAFTSBMEHU-SECBINFHSA-N 1 0 224.264 1.018 10 5 BDBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1 ZINC000063171526 350574772 /nfs/dbraw/zinc/57/47/72/350574772.db2.gz UNMFTNMFOAKBSV-QMMMGPOBSA-N 1 0 209.249 1.744 10 5 BDBERO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382416910 350600126 /nfs/dbraw/zinc/60/01/26/350600126.db2.gz HTYOCNLEMBOQAQ-IUCAKERBSA-N 1 0 236.275 1.672 10 5 BDBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050764 180774082 /nfs/dbraw/zinc/77/40/82/180774082.db2.gz GSQRFPILSDWYQX-HTQZYQBOSA-N 1 0 239.279 1.010 10 5 BDBERO [NH3+]CC[C@@H](Nc1ncccc1[N+](=O)[O-])C(F)F ZINC000383441718 353078702 /nfs/dbraw/zinc/07/87/02/353078702.db2.gz JZHROLNANIWOGX-ZCFIWIBFSA-N 1 0 246.217 1.384 10 5 BDBERO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000111830463 188181853 /nfs/dbraw/zinc/18/18/53/188181853.db2.gz RDWCZVLNRKUARU-VIFPVBQESA-N 1 0 238.291 1.775 10 5 BDBERO COc1cccc(NC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000129716978 355979435 /nfs/dbraw/zinc/97/94/35/355979435.db2.gz YRSHQAGTXMROBJ-ZETCQYMHSA-N 1 0 225.248 1.363 10 5 BDBERO CC(C)([NH3+])CNc1cccc(F)c1[N+](=O)[O-] ZINC000168398413 134197838 /nfs/dbraw/zinc/19/78/38/134197838.db2.gz XDFPIENLUAEBSN-UHFFFAOYSA-N 1 0 227.239 1.883 10 5 BDBERO CC(C)[C@@H]([NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000070010466 359037981 /nfs/dbraw/zinc/03/79/81/359037981.db2.gz RDAKIDUQCOJKEO-VIFPVBQESA-N 1 0 223.276 1.990 10 5 BDBERO [NH3+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000034979744 181355562 /nfs/dbraw/zinc/35/55/62/181355562.db2.gz LFWKEDYYARJJFF-UHFFFAOYSA-N 1 0 229.623 1.145 10 5 BDBERO [NH3+]CCCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000050283564 181388399 /nfs/dbraw/zinc/38/83/99/181388399.db2.gz UUGYUXTVSGVMBR-UHFFFAOYSA-N 1 0 248.242 1.536 10 5 BDBERO [NH3+]C[C@]1(CO)C[C@H]1c1csc([N+](=O)[O-])c1 ZINC000070500442 181469491 /nfs/dbraw/zinc/46/94/91/181469491.db2.gz POCZHZFQHCSZLK-CBAPKCEASA-N 1 0 228.273 1.081 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H](C)[NH3+] ZINC000091555172 369436819 /nfs/dbraw/zinc/43/68/19/369436819.db2.gz ZHWFEAQOFRNCJU-ZETCQYMHSA-N 1 0 241.295 1.269 10 5 BDBERO CC[C@H]([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000082579272 371011161 /nfs/dbraw/zinc/01/11/61/371011161.db2.gz WDOHACHAWTVGEU-QMMMGPOBSA-N 1 0 227.239 1.883 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)n1 ZINC000390274769 371192904 /nfs/dbraw/zinc/19/29/04/371192904.db2.gz SRQJXKXYYVTHBY-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO [NH3+][C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC000100267849 181593064 /nfs/dbraw/zinc/59/30/64/181593064.db2.gz GYJHRMMXWORSNJ-DTORHVGOSA-N 1 0 236.275 1.672 10 5 BDBERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[N+](=O)[O-] ZINC000096793174 371515959 /nfs/dbraw/zinc/51/59/59/371515959.db2.gz VXDNYUQZWNPLGT-ZYHUDNBSSA-N 1 0 220.272 1.784 10 5 BDBERO C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C[NH2+]1 ZINC000600955428 371715163 /nfs/dbraw/zinc/71/51/63/371715163.db2.gz MILLABYMUXCGIS-RNFRBKRXSA-N 1 0 242.304 1.604 10 5 BDBERO CN(CCC[NH3+])c1c(F)cccc1[N+](=O)[O-] ZINC000304403635 371787342 /nfs/dbraw/zinc/78/73/42/371787342.db2.gz BRGQPFOFNYXWLH-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1CC[NH2+]C1 ZINC000051783935 182932571 /nfs/dbraw/zinc/93/25/71/182932571.db2.gz DAQYLCIXOMNAOO-MRVPVSSYSA-N 1 0 242.662 1.989 10 5 BDBERO Cc1ccnc(N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336651979 384245746 /nfs/dbraw/zinc/24/57/46/384245746.db2.gz IJOXFPPMIGHMJK-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000082575948 384394594 /nfs/dbraw/zinc/39/45/94/384394594.db2.gz CTZTXIOYNFVTJM-LURJTMIESA-N 1 0 213.212 1.493 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCC[NH3+])n1 ZINC000310104536 385086664 /nfs/dbraw/zinc/08/66/64/385086664.db2.gz OTPUUOHTGCYXRL-MRVPVSSYSA-N 1 0 238.291 1.838 10 5 BDBERO CC[C@H]([NH3+])CNc1ncc(C)cc1[N+](=O)[O-] ZINC000085427027 385176695 /nfs/dbraw/zinc/17/66/95/385176695.db2.gz IDMIXKRREYDDMD-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO CCOc1cc(C[NH3+])cc(OCC)c1[N+](=O)[O-] ZINC000575721908 387444258 /nfs/dbraw/zinc/44/42/58/387444258.db2.gz ZYFQRZUFHBNOMD-UHFFFAOYSA-N 1 0 240.259 1.851 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[NH2+]C2)n1 ZINC000088036523 387526989 /nfs/dbraw/zinc/52/69/89/387526989.db2.gz SCPRQBFIUVTSOK-QMMMGPOBSA-N 1 0 222.248 1.072 10 5 BDBERO O=[N+]([O-])c1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000596026750 388400357 /nfs/dbraw/zinc/40/03/57/388400357.db2.gz LRLXAHMDBQDBOI-UHFFFAOYSA-N 1 0 233.271 1.759 10 5 BDBERO Cc1ccnc(NCC23CC(C2)C[NH2+]3)c1[N+](=O)[O-] ZINC000596027264 388400626 /nfs/dbraw/zinc/40/06/26/388400626.db2.gz RCLCCMCXCOLEMN-UHFFFAOYSA-N 1 0 248.286 1.462 10 5 BDBERO [NH3+]CCc1ccc([N+](=O)[O-])c2cccnc12 ZINC000068590216 388714978 /nfs/dbraw/zinc/71/49/78/388714978.db2.gz GPEKQSQUYKGMNK-UHFFFAOYSA-N 1 0 217.228 1.644 10 5 BDBERO C[C@@H]([NH3+])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000082195862 388724498 /nfs/dbraw/zinc/72/44/98/388724498.db2.gz USMLPLKAUZIPIG-RXMQYKEDSA-N 1 0 211.177 1.523 10 5 BDBERO [NH3+][C@@H]1CCCN(c2cccc([N+](=O)[O-])c2)C1 ZINC000041030087 132348842 /nfs/dbraw/zinc/34/88/42/132348842.db2.gz NKKIHPJAIMAEEP-SECBINFHSA-N 1 0 221.260 1.522 10 5 BDBERO C[C@H]1CN(c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000053712125 132363692 /nfs/dbraw/zinc/36/36/92/132363692.db2.gz WVMZIPGCPNDPFC-UWVGGRQHSA-N 1 0 235.287 1.781 10 5 BDBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000163864405 135208252 /nfs/dbraw/zinc/20/82/52/135208252.db2.gz XEDWYPSDYIIEBW-MRVPVSSYSA-N 1 0 249.270 1.389 10 5 BDBERO Cc1cnc(NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000085427012 135484668 /nfs/dbraw/zinc/48/46/68/135484668.db2.gz QXHWTKCSNZXSGT-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO CC(C)[NH2+]C[C@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000033867610 167114391 /nfs/dbraw/zinc/11/43/91/167114391.db2.gz XGAIEZLJSRQDHV-GFCCVEGCSA-N 1 0 238.287 1.496 10 5 BDBERO CC[NH2+]C[C@@H](O)Cc1cccc([N+](=O)[O-])c1 ZINC000071531581 170118819 /nfs/dbraw/zinc/11/88/19/170118819.db2.gz MMSNFXPWPRSRIO-NSHDSACASA-N 1 0 224.260 1.108 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CC[NH3+] ZINC000310219097 172249193 /nfs/dbraw/zinc/24/91/93/172249193.db2.gz GOKXYRHCGPABJA-ZETCQYMHSA-N 1 0 241.295 1.269 10 5 BDBERO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000104365236 172879406 /nfs/dbraw/zinc/87/94/06/172879406.db2.gz UXWMKSZFJQTXMB-LBPRGKRZSA-N 1 0 249.314 1.779 10 5 BDBERO CN(c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071311654 172945783 /nfs/dbraw/zinc/94/57/83/172945783.db2.gz ISAVLJMBWWORBJ-VIFPVBQESA-N 1 0 239.250 1.532 10 5 BDBERO CN(c1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071311647 172948100 /nfs/dbraw/zinc/94/81/00/172948100.db2.gz IOEYJFLIPIKHKS-MRVPVSSYSA-N 1 0 239.250 1.532 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000042548151 173125772 /nfs/dbraw/zinc/12/57/72/173125772.db2.gz LAAOXYYKEXAUOD-SECBINFHSA-N 1 0 239.250 1.850 10 5 BDBERO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000038086752 176017082 /nfs/dbraw/zinc/01/70/82/176017082.db2.gz JURPZXHJIMNYIZ-JTQLQIEISA-N 1 0 235.287 1.561 10 5 BDBERO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235376361 176319805 /nfs/dbraw/zinc/31/98/05/176319805.db2.gz HQUDUSVDMZQRSA-APPZFPTMSA-N 1 0 239.250 1.517 10 5 BDBERO C[N+](C)(C)C[C@H]1COc2ccccc2O1 ZINC000005377520 177486612 /nfs/dbraw/zinc/48/66/12/177486612.db2.gz ZCARQTPMUCCAAV-JTQLQIEISA-N 1 0 208.281 1.533 10 5 BDBERO C[C@@H](C[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000111302787 323158530 /nfs/dbraw/zinc/15/85/30/323158530.db2.gz RKLMKFUFQVKNPL-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO CCOc1cc(N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000111302719 323158589 /nfs/dbraw/zinc/15/85/89/323158589.db2.gz IBFIVECZRQBMDR-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000320512202 323567703 /nfs/dbraw/zinc/56/77/03/323567703.db2.gz LKPVOMPISZQPSR-SFYZADRCSA-N 1 0 224.264 1.528 10 5 BDBERO CC[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]1[NH3+] ZINC000757176063 582552284 /nfs/dbraw/zinc/55/22/84/582552284.db2.gz YRGXYMHMGGWGLC-SCZZXKLOSA-N 1 0 208.217 1.766 10 5 BDBERO CC[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]1[NH3+] ZINC000757176064 582552327 /nfs/dbraw/zinc/55/23/27/582552327.db2.gz YRGXYMHMGGWGLC-WCBMZHEXSA-N 1 0 208.217 1.766 10 5 BDBERO Cc1cc([N+](=O)[O-])cc2c1O[C@@H](C)[C@@H]2[NH3+] ZINC000757175677 582552422 /nfs/dbraw/zinc/55/24/22/582552422.db2.gz GEWQGRZNUROULR-RCOVLWMOSA-N 1 0 208.217 1.684 10 5 BDBERO CC[C@H]1Oc2c(cc(OC)cc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757175907 582553374 /nfs/dbraw/zinc/55/33/74/582553374.db2.gz OXSNMOIEELZMFM-ZJUUUORDSA-N 1 0 238.243 1.774 10 5 BDBERO COc1cc2c(c([N+](=O)[O-])c1)O[C@H](C)[C@@H]2[NH3+] ZINC000757175895 582553390 /nfs/dbraw/zinc/55/33/90/582553390.db2.gz OEZHTXYARLVBAX-ANLVUFKYSA-N 1 0 224.216 1.384 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC2CC[NH2+]CC2)n1 ZINC000162853079 635144554 /nfs/dbraw/zinc/14/45/54/635144554.db2.gz HHCZJUVFAHZTBC-UHFFFAOYSA-N 1 0 236.275 1.462 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH3+])C1 ZINC000041030138 636953445 /nfs/dbraw/zinc/95/34/45/636953445.db2.gz FVGRHHNNJRPKQZ-SNVBAGLBSA-N 1 0 235.287 1.831 10 5 BDBERO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000071148026 643102622 /nfs/dbraw/zinc/10/26/22/643102622.db2.gz SWPYTHNMVAXTCK-SNVBAGLBSA-N 1 0 235.287 1.641 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094342469 644716483 /nfs/dbraw/zinc/71/64/83/644716483.db2.gz CWSDAZFFCYFPJE-CABZTGNLSA-N 1 0 235.287 1.768 10 5 BDBERO [NH3+]CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000723668721 711533027 /nfs/dbraw/zinc/53/30/27/711533027.db2.gz BEGSGEJUEOLJDK-SNVBAGLBSA-N 1 0 235.287 1.770 10 5 BDBERO [NH3+]CC[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000723669416 711533213 /nfs/dbraw/zinc/53/32/13/711533213.db2.gz JEPPYFWFCSGABQ-JTQLQIEISA-N 1 0 235.287 1.770 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[NH2+]C[C@H]1C ZINC000721859322 711791792 /nfs/dbraw/zinc/79/17/92/711791792.db2.gz HGFSLXCRHLBVBT-BXKDBHETSA-N 1 0 235.287 1.923 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC1CC([NH3+])C1 ZINC000036268787 178273073 /nfs/dbraw/zinc/27/30/73/178273073.db2.gz WMOAOJKFLDMIFY-UHFFFAOYSA-N 1 0 221.260 1.805 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]1[NH3+] ZINC000063176454 178274876 /nfs/dbraw/zinc/27/48/76/178274876.db2.gz PNOMOQQKAMCXIP-ZJUUUORDSA-N 1 0 236.275 1.590 10 5 BDBERO COc1cc(N[C@H](C)C[NH3+])c([N+](=O)[O-])cc1C ZINC000310282980 343411975 /nfs/dbraw/zinc/41/19/75/343411975.db2.gz LLHGTFBIPVHWSS-MRVPVSSYSA-N 1 0 239.275 1.671 10 5 BDBERO [NH3+]Cc1cncc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000309501540 343643805 /nfs/dbraw/zinc/64/38/05/343643805.db2.gz HWOCZRHSHGUILY-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO CO[C@H](C[NH3+])[C@H](OC)c1ccccc1[N+](=O)[O-] ZINC000205285824 343622282 /nfs/dbraw/zinc/62/22/82/343622282.db2.gz MIMIDLVPJQQAFA-GHMZBOCLSA-N 1 0 240.259 1.256 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000082579363 133502691 /nfs/dbraw/zinc/50/26/91/133502691.db2.gz DMVBHQJUEZGBEF-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC1C[NH2+]C1 ZINC000084417606 344428252 /nfs/dbraw/zinc/42/82/52/344428252.db2.gz ROCFMXOXYIUCLH-UHFFFAOYSA-N 1 0 207.233 1.287 10 5 BDBERO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000389305776 344409630 /nfs/dbraw/zinc/40/96/30/344409630.db2.gz LUJQUEHAWRGFGZ-ZETCQYMHSA-N 1 0 242.304 1.557 10 5 BDBERO O=[N+]([O-])c1ccc(COC2C[NH2+]C2)cc1 ZINC000062809848 347082155 /nfs/dbraw/zinc/08/21/55/347082155.db2.gz WDHIFIFCTNBMHC-UHFFFAOYSA-N 1 0 208.217 1.083 10 5 BDBERO [NH3+][C@H](CCO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044232488 344988397 /nfs/dbraw/zinc/98/83/97/344988397.db2.gz YXCHWFXDGWSCSI-MRVPVSSYSA-N 1 0 230.651 1.630 10 5 BDBERO Cc1ccc(NC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000082575454 345440478 /nfs/dbraw/zinc/44/04/78/345440478.db2.gz JJQKKBSMJKENDS-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO CC(C)[C@H]([NH3+])CCNc1ncccc1[N+](=O)[O-] ZINC000596030026 348425928 /nfs/dbraw/zinc/42/59/28/348425928.db2.gz FHMANHIHFSVSBX-SECBINFHSA-N 1 0 238.291 1.775 10 5 BDBERO C[NH2+]C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000596034161 348427833 /nfs/dbraw/zinc/42/78/33/348427833.db2.gz XFCPWGVOWAZLGD-ZETCQYMHSA-N 1 0 227.239 1.754 10 5 BDBERO COC(=O)C[C@@H]([NH3+])c1ccccc1[N+](=O)[O-] ZINC000033978951 350468085 /nfs/dbraw/zinc/46/80/85/350468085.db2.gz SJWDOSCKIYWKEW-MRVPVSSYSA-N 1 0 224.216 1.158 10 5 BDBERO C[C@H]([NH3+])CCNc1ncccc1[N+](=O)[O-] ZINC000063171470 351269832 /nfs/dbraw/zinc/26/98/32/351269832.db2.gz VQUXOYQPMHXAQT-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO Cc1cccc(NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420216333 192177429 /nfs/dbraw/zinc/17/74/29/192177429.db2.gz MFMQNJYRCBPWOD-MRVPVSSYSA-N 1 0 223.276 1.910 10 5 BDBERO CC(=O)O[C@@H]1CC[N@@+](C)(Cc2ccccc2)C1 ZINC000255993769 188086347 /nfs/dbraw/zinc/08/63/47/188086347.db2.gz PANOIMCJTIWCAF-CABCVRRESA-N 1 0 234.319 1.969 10 5 BDBERO CCN(c1ncccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071314189 188130908 /nfs/dbraw/zinc/13/09/08/188130908.db2.gz OENKPXAOGNSIJU-VIFPVBQESA-N 1 0 236.275 1.178 10 5 BDBERO NC(=[NH2+])N[C@H]1CCc2ccc([N+](=O)[O-])cc21 ZINC000169323211 181190724 /nfs/dbraw/zinc/19/07/24/181190724.db2.gz OHLCRYBAOWSMET-VIFPVBQESA-N 1 0 220.232 1.065 10 5 BDBERO [NH2+]=C1CCCN1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000026512291 181206892 /nfs/dbraw/zinc/20/68/92/181206892.db2.gz PTKCDJDWFOPJRT-UHFFFAOYSA-N 1 0 247.254 1.851 10 5 BDBERO COc1cccc(NC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000129717210 355981034 /nfs/dbraw/zinc/98/10/34/355981034.db2.gz YRSHQAGTXMROBJ-SSDOTTSWSA-N 1 0 225.248 1.363 10 5 BDBERO CC(C)[NH2+]CC(C)(C)n1cnc([N+](=O)[O-])c1 ZINC000584653577 358307537 /nfs/dbraw/zinc/30/75/37/358307537.db2.gz VSSMGVJMEAPWRX-UHFFFAOYSA-N 1 0 226.280 1.524 10 5 BDBERO [NH3+]C1CC(Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000036268780 181339952 /nfs/dbraw/zinc/33/99/52/181339952.db2.gz FURFOPZODHMQCZ-UHFFFAOYSA-N 1 0 207.233 1.496 10 5 BDBERO [NH3+]CCCc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000061844173 181387720 /nfs/dbraw/zinc/38/77/20/181387720.db2.gz QLXUSUCKVUFTBE-UHFFFAOYSA-N 1 0 247.258 1.271 10 5 BDBERO [NH3+]CCc1ccc([N+](=O)[O-])cc1Br ZINC000053301879 181412337 /nfs/dbraw/zinc/41/23/37/181412337.db2.gz HSUSGZXJAIKRQT-UHFFFAOYSA-N 1 0 245.076 1.859 10 5 BDBERO Cc1nc(C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000221970508 368363509 /nfs/dbraw/zinc/36/35/09/368363509.db2.gz LVHDZFLOVOMFKN-UHFFFAOYSA-N 1 0 221.260 1.894 10 5 BDBERO C[C@H](C[NH3+])Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081590635 370901548 /nfs/dbraw/zinc/90/15/48/370901548.db2.gz KABBCNWZEAMAAE-SSDOTTSWSA-N 1 0 247.258 1.297 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000082579271 371010826 /nfs/dbraw/zinc/01/08/26/371010826.db2.gz FNCJBJMKXVSWCM-SSDOTTSWSA-N 1 0 210.237 1.139 10 5 BDBERO [NH3+][C@H]1CCCc2cccc([N+](=O)[O-])c2[C@H]1O ZINC000019795526 371189926 /nfs/dbraw/zinc/18/99/26/371189926.db2.gz MKEDQBNDGNDAAP-KWQFWETISA-N 1 0 222.244 1.292 10 5 BDBERO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C[NH2+]1 ZINC000600954429 371712802 /nfs/dbraw/zinc/71/28/02/371712802.db2.gz BLBHUSNCBPELJC-IUCAKERBSA-N 1 0 236.275 1.542 10 5 BDBERO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000601327389 371748257 /nfs/dbraw/zinc/74/82/57/371748257.db2.gz UXMUHUVXZHHQKM-PWSUYJOCSA-N 1 0 249.314 1.621 10 5 BDBERO COc1cc(NC2C[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860608 371949760 /nfs/dbraw/zinc/94/97/60/371949760.db2.gz STWRCLBBBDWDPL-UHFFFAOYSA-N 1 0 241.222 1.126 10 5 BDBERO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000038844698 372787968 /nfs/dbraw/zinc/78/79/68/372787968.db2.gz IFIBQQCVEIPSNA-GFCCVEGCSA-N 1 0 235.287 1.735 10 5 BDBERO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000067448420 372784683 /nfs/dbraw/zinc/78/46/83/372784683.db2.gz ZNHWZGPBDFKEOA-VIFPVBQESA-N 1 0 236.275 1.130 10 5 BDBERO O=[N+]([O-])c1cccnc1S[C@@H]1CCC[NH2+]C1 ZINC000095091904 182954182 /nfs/dbraw/zinc/95/41/82/182954182.db2.gz WYGZQWVZGRWANU-MRVPVSSYSA-N 1 0 239.300 1.834 10 5 BDBERO CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003138798 169264417 /nfs/dbraw/zinc/26/44/17/169264417.db2.gz VGYJTWPSBCTSCX-NSHDSACASA-N 1 0 224.260 1.628 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH3+])n1 ZINC000309456333 384192435 /nfs/dbraw/zinc/19/24/35/384192435.db2.gz PPFVNHVKMJBJQF-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO C[C@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000309026469 384393360 /nfs/dbraw/zinc/39/33/60/384393360.db2.gz YGOBFQGIILCXOP-ZCFIWIBFSA-N 1 0 230.293 1.591 10 5 BDBERO N[C@H](C[NH3+])c1cc([N+](=O)[O-])ccc1Cl ZINC000072200909 384814473 /nfs/dbraw/zinc/81/44/73/384814473.db2.gz VASYXGOPXPDHHB-MRVPVSSYSA-N 1 0 215.640 1.207 10 5 BDBERO C[C@H](C[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149427879 385557553 /nfs/dbraw/zinc/55/75/53/385557553.db2.gz IPUXOSPXHFUTKX-RXMQYKEDSA-N 1 0 230.655 1.402 10 5 BDBERO O=[N+]([O-])c1ccc(OC[C@H]2CCCC[NH2+]2)nc1 ZINC000051883470 386558090 /nfs/dbraw/zinc/55/80/90/386558090.db2.gz KSRASAIFCIKEHT-SECBINFHSA-N 1 0 237.259 1.511 10 5 BDBERO COc1ccc([C@@H]([NH3+])CCF)cc1[N+](=O)[O-] ZINC000575440369 387133003 /nfs/dbraw/zinc/13/30/03/387133003.db2.gz QRKVWUGGOQSWRC-QMMMGPOBSA-N 1 0 228.223 1.963 10 5 BDBERO O=[N+]([O-])c1ccc(NCC23CC(C2)C[NH2+]3)cn1 ZINC000596027088 388400641 /nfs/dbraw/zinc/40/06/41/388400641.db2.gz OJVWFDGFRDBGNP-UHFFFAOYSA-N 1 0 234.259 1.154 10 5 BDBERO Cc1cnc(N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000085427021 256771060 /nfs/dbraw/zinc/77/10/60/256771060.db2.gz NXUAUFBQWHTIBA-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO C[C@@H]([NH3+])CCNc1ncc([N+](=O)[O-])s1 ZINC000226780071 134368837 /nfs/dbraw/zinc/36/88/37/134368837.db2.gz KOHRGVBLCJTOQT-RXMQYKEDSA-N 1 0 216.266 1.201 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000336717138 397949608 /nfs/dbraw/zinc/94/96/08/397949608.db2.gz XURSBZRPXVYIMH-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO CC(C)[NH2+]C[C@@H](O)Cc1ccccc1[N+](=O)[O-] ZINC000071548718 167111686 /nfs/dbraw/zinc/11/16/86/167111686.db2.gz MSFIOJYMLASWOO-NSHDSACASA-N 1 0 238.287 1.496 10 5 BDBERO CC[NH2+]CCCOc1cccc([N+](=O)[O-])c1 ZINC000020525348 170112747 /nfs/dbraw/zinc/11/27/47/170112747.db2.gz HPZMPTFRTMQWSU-UHFFFAOYSA-N 1 0 224.260 1.973 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ccc(O)cc2[N+](=O)[O-])C1 ZINC000061988839 173126201 /nfs/dbraw/zinc/12/62/01/173126201.db2.gz RQLZWVJULCVHPN-MRVPVSSYSA-N 1 0 237.259 1.416 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000053580393 173154933 /nfs/dbraw/zinc/15/49/33/173154933.db2.gz PMZBGNZYYJUFRO-VIFPVBQESA-N 1 0 239.250 1.850 10 5 BDBERO C[NH2+]C[C@@H](C)OCCc1ccc([N+](=O)[O-])cc1 ZINC000051842723 173365040 /nfs/dbraw/zinc/36/50/40/173365040.db2.gz WMMIKKCRJSSCOI-SNVBAGLBSA-N 1 0 238.287 1.762 10 5 BDBERO C[NH2+]C[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000054588588 173382868 /nfs/dbraw/zinc/38/28/68/173382868.db2.gz FXVNLTSPMLNYFS-MWLCHTKSSA-N 1 0 206.245 1.918 10 5 BDBERO COCC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035307955 174335188 /nfs/dbraw/zinc/33/51/88/174335188.db2.gz YSWOSNIOHFPRRC-UHFFFAOYSA-N 1 0 228.223 1.470 10 5 BDBERO COc1cccc(N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336726398 175279247 /nfs/dbraw/zinc/27/92/47/175279247.db2.gz VNHUIAGTONJWJZ-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO Cc1nc(N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320402086 323176870 /nfs/dbraw/zinc/17/68/70/323176870.db2.gz VJUYZCRRBQGLER-JGVFFNPUSA-N 1 0 238.291 1.836 10 5 BDBERO O=[N+]([O-])c1ccccc1[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC000536954211 323962336 /nfs/dbraw/zinc/96/23/36/323962336.db2.gz JXPDUVOHBLUOTB-INTQDDNPSA-N 1 0 218.256 1.918 10 5 BDBERO Cc1cc(N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000082576403 325543083 /nfs/dbraw/zinc/54/30/83/325543083.db2.gz YIFKOFDVEHCHOC-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1ccc(N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000082576338 325543094 /nfs/dbraw/zinc/54/30/94/325543094.db2.gz RGMJEXPBBOMCMX-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000116942486 589059411 /nfs/dbraw/zinc/05/94/11/589059411.db2.gz MODJLNUSPSLRSY-SECBINFHSA-N 1 0 221.260 1.393 10 5 BDBERO [NH3+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000132020451 591683155 /nfs/dbraw/zinc/68/31/55/591683155.db2.gz NTNMNPXOOJUJCZ-SECBINFHSA-N 1 0 239.250 1.661 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1NCC[NH2+]C1CC1 ZINC000054267916 636296427 /nfs/dbraw/zinc/29/64/27/636296427.db2.gz UXEGSKDCJROPCY-UHFFFAOYSA-N 1 0 239.250 1.898 10 5 BDBERO C[C@H]1C[NH2+]CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000054375283 636517686 /nfs/dbraw/zinc/51/76/86/636517686.db2.gz YOAKSJNNFUGGGN-QMMMGPOBSA-N 1 0 239.250 1.532 10 5 BDBERO CCN(CC[NH3+])c1cccc(F)c1[N+](=O)[O-] ZINC000165937575 640599441 /nfs/dbraw/zinc/59/94/41/640599441.db2.gz PGUYRLHZLYTOJK-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO C[C@@H]([NH3+])CCNc1cccc(F)c1[N+](=O)[O-] ZINC000063171489 641142658 /nfs/dbraw/zinc/14/26/58/641142658.db2.gz CNPJDAHAHQBYIA-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000069802605 642917943 /nfs/dbraw/zinc/91/79/43/642917943.db2.gz LNBWNDQTTNMIIM-UHFFFAOYSA-N 1 0 209.249 1.250 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cc1Cl)C1C[NH2+]C1 ZINC000085258368 643704798 /nfs/dbraw/zinc/70/47/98/643704798.db2.gz UHHPIPYJONXWPA-UHFFFAOYSA-N 1 0 241.678 1.656 10 5 BDBERO [NH3+]CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037419713 712629080 /nfs/dbraw/zinc/62/90/80/712629080.db2.gz PLMQWOANEOUECS-UHFFFAOYSA-N 1 0 213.212 1.495 10 5 BDBERO Cc1ccnc(NC[C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715082907 712507252 /nfs/dbraw/zinc/50/72/52/712507252.db2.gz TVDIBPFCRYHEHC-DTORHVGOSA-N 1 0 236.275 1.447 10 5 BDBERO O=[N+]([O-])c1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000021957993 717113113 /nfs/dbraw/zinc/11/31/13/717113113.db2.gz PETKPPZTYLHIHC-UHFFFAOYSA-N 1 0 248.306 1.241 10 5 BDBERO Cc1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000073369204 717134238 /nfs/dbraw/zinc/13/42/38/717134238.db2.gz TVHXIVMKEFWVTL-UHFFFAOYSA-N 1 0 217.336 1.641 10 5 BDBERO C[C@@H]1CCC[C@H](C[N+]23CCN(CC2)CC3)C1 ZINC000092197657 717138410 /nfs/dbraw/zinc/13/84/10/717138410.db2.gz FJUVFQHINURALD-KGLIPLIRSA-N 1 0 223.384 1.959 10 5 BDBERO C(c1noc2c1CCCC2)[N+]12CCN(CC1)CC2 ZINC000108876247 717147621 /nfs/dbraw/zinc/14/76/21/717147621.db2.gz JRAZSBKEIIPGOI-UHFFFAOYSA-N 1 0 248.350 1.199 10 5 BDBERO CC(C)CCOCC[N+]12CCN(CC1)CC2 ZINC000128140344 717150868 /nfs/dbraw/zinc/15/08/68/717150868.db2.gz QFVYEMOXBGLWBZ-UHFFFAOYSA-N 1 0 227.372 1.195 10 5 BDBERO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000310209159 178117772 /nfs/dbraw/zinc/11/77/72/178117772.db2.gz UMWIFJNEMOVNOA-GXSJLCMTSA-N 1 0 235.287 1.829 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H](C)[NH3+] ZINC000037608290 178273292 /nfs/dbraw/zinc/27/32/92/178273292.db2.gz ZRRIMQRGAWLYMW-QMMMGPOBSA-N 1 0 237.259 1.579 10 5 BDBERO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320236111 342732522 /nfs/dbraw/zinc/73/25/22/342732522.db2.gz HXLAOXRWGFNLAW-RKDXNWHRSA-N 1 0 238.291 1.836 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000320320422 342733313 /nfs/dbraw/zinc/73/33/13/342733313.db2.gz KWYJGSAWZUUROV-CBAPKCEASA-N 1 0 238.291 1.836 10 5 BDBERO COc1cccc(N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000394464007 323032028 /nfs/dbraw/zinc/03/20/28/323032028.db2.gz XGJQZWOMBRVKPQ-SFYZADRCSA-N 1 0 239.275 1.751 10 5 BDBERO O=[N+]([O-])c1cc(F)ccc1NC1C[NH2+]C1 ZINC000084417222 344428270 /nfs/dbraw/zinc/42/82/70/344428270.db2.gz JOKLWYQRONNDCA-UHFFFAOYSA-N 1 0 211.196 1.118 10 5 BDBERO C[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000408306879 344478801 /nfs/dbraw/zinc/47/88/01/344478801.db2.gz FIADJZCGQNUYNV-VIFPVBQESA-N 1 0 238.291 1.703 10 5 BDBERO C[C@@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000381678575 344534596 /nfs/dbraw/zinc/53/45/96/344534596.db2.gz CTDZONISUMBBQF-RQJHMYQMSA-N 1 0 210.237 1.137 10 5 BDBERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000381690555 344535145 /nfs/dbraw/zinc/53/51/45/344535145.db2.gz FKMXCBXQDINAJA-RNFRBKRXSA-N 1 0 210.237 1.137 10 5 BDBERO COc1ccc([C@@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC000044257973 344994070 /nfs/dbraw/zinc/99/40/70/344994070.db2.gz ZHLVJLBKUVMKKA-QMMMGPOBSA-N 1 0 208.217 1.638 10 5 BDBERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])cn1 ZINC000214940989 345741673 /nfs/dbraw/zinc/74/16/73/345741673.db2.gz IWJJDRZTRORILB-UHFFFAOYSA-N 1 0 238.291 1.790 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]([NH3+])C(C)C ZINC000070447805 345716864 /nfs/dbraw/zinc/71/68/64/345716864.db2.gz OJHQZPPFCNOYFA-SNVBAGLBSA-N 1 0 238.291 1.693 10 5 BDBERO [NH3+]CCCCCCn1ccnc1[N+](=O)[O-] ZINC000219548860 345859367 /nfs/dbraw/zinc/85/93/67/345859367.db2.gz PUICXNMNUOIDFR-UHFFFAOYSA-N 1 0 212.253 1.310 10 5 BDBERO Cc1cc(NC[C@@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000092027778 346630307 /nfs/dbraw/zinc/63/03/07/346630307.db2.gz VSRKJWFTTPIAAS-SECBINFHSA-N 1 0 238.291 1.693 10 5 BDBERO CC(=O)O[C@H]1CC[N@+](C)(Cc2ccccc2)C1 ZINC000255993772 187396631 /nfs/dbraw/zinc/39/66/31/187396631.db2.gz PANOIMCJTIWCAF-LSDHHAIUSA-N 1 0 234.319 1.969 10 5 BDBERO CC(C)[C@H]([NH3+])CCNc1c([N+](=O)[O-])ncn1C ZINC000596030043 348426100 /nfs/dbraw/zinc/42/61/00/348426100.db2.gz GCRISVZKBNKKRC-MRVPVSSYSA-N 1 0 241.295 1.114 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000596034297 348427854 /nfs/dbraw/zinc/42/78/54/348427854.db2.gz YMPNWELOCLJVMZ-MRVPVSSYSA-N 1 0 239.275 1.623 10 5 BDBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000038051042 349299579 /nfs/dbraw/zinc/29/95/79/349299579.db2.gz UGPODYLUKJVYDJ-IUCAKERBSA-N 1 0 236.275 1.672 10 5 BDBERO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382416884 350600353 /nfs/dbraw/zinc/60/03/53/350600353.db2.gz HTYOCNLEMBOQAQ-BDAKNGLRSA-N 1 0 236.275 1.672 10 5 BDBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382431969 350776232 /nfs/dbraw/zinc/77/62/32/350776232.db2.gz RFSHJLVOIKINIS-IUCAKERBSA-N 1 0 236.275 1.529 10 5 BDBERO C[C@H](C[NH3+])N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000383018872 351166795 /nfs/dbraw/zinc/16/67/95/351166795.db2.gz MNTWSHJKFYRMLD-SSDOTTSWSA-N 1 0 227.239 1.517 10 5 BDBERO CC(C)[NH2+]CCCNc1ncc([N+](=O)[O-])s1 ZINC000577714230 366041350 /nfs/dbraw/zinc/04/13/50/366041350.db2.gz CGHFJUYSQQAUIW-UHFFFAOYSA-N 1 0 244.320 1.273 10 5 BDBERO COc1cc(NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000420216135 192177549 /nfs/dbraw/zinc/17/75/49/192177549.db2.gz LVGYDIQFGQHRJL-QMMMGPOBSA-N 1 0 239.275 1.610 10 5 BDBERO NC(=[NH2+])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000062624693 181195160 /nfs/dbraw/zinc/19/51/60/181195160.db2.gz NMSYEVPFDZRIGR-UHFFFAOYSA-N 1 0 216.200 1.427 10 5 BDBERO NC(=[NH2+])c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000062624691 181195256 /nfs/dbraw/zinc/19/52/56/181195256.db2.gz ZICHFBUHAQZHKP-UHFFFAOYSA-N 1 0 216.200 1.427 10 5 BDBERO C[C@H](C[NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000420218960 192193672 /nfs/dbraw/zinc/19/36/72/192193672.db2.gz PZLUBFLJTVYHJF-ZCFIWIBFSA-N 1 0 244.682 1.650 10 5 BDBERO CN(CC[NH3+])c1nccc2c1cccc2[N+](=O)[O-] ZINC000420272320 192196725 /nfs/dbraw/zinc/19/67/25/192196725.db2.gz CENLFBABEQLVKP-UHFFFAOYSA-N 1 0 246.270 1.538 10 5 BDBERO Cc1n(C)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000584614348 358278940 /nfs/dbraw/zinc/27/89/40/358278940.db2.gz DKWDAVCMYMEZOF-UHFFFAOYSA-N 1 0 232.263 1.578 10 5 BDBERO [NH3+]CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771561 360317064 /nfs/dbraw/zinc/31/70/64/360317064.db2.gz DHTNAVGDTZRQHD-UHFFFAOYSA-N 1 0 235.247 1.232 10 5 BDBERO [NH3+]CC1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000011848925 181362671 /nfs/dbraw/zinc/36/26/71/181362671.db2.gz IWCMSIICJYSZOA-UHFFFAOYSA-N 1 0 206.245 1.975 10 5 BDBERO [NH3+]CCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035059882 181383442 /nfs/dbraw/zinc/38/34/42/181383442.db2.gz YQSMCOOAQNQMFC-UHFFFAOYSA-N 1 0 246.270 1.904 10 5 BDBERO [NH3+]CCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000049815570 181385015 /nfs/dbraw/zinc/38/50/15/181385015.db2.gz VBJLGPCAUXHTQG-UHFFFAOYSA-N 1 0 214.196 1.462 10 5 BDBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000070010607 371003006 /nfs/dbraw/zinc/00/30/06/371003006.db2.gz WTSOCQQYDSSLBW-SECBINFHSA-N 1 0 224.264 1.385 10 5 BDBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000389702917 371159565 /nfs/dbraw/zinc/15/95/65/371159565.db2.gz KFXLICGGOPOAFA-DTWKUNHWSA-N 1 0 236.275 1.400 10 5 BDBERO [NH3+][C@H](CO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072198302 181620768 /nfs/dbraw/zinc/62/07/68/181620768.db2.gz ZUGINVLTNMIOOE-SSDOTTSWSA-N 1 0 216.624 1.240 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)[NH3+] ZINC000125757827 371391832 /nfs/dbraw/zinc/39/18/32/371391832.db2.gz JKAFLGGVNYZJPQ-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO O=[N+]([O-])c1ccc(F)cc1OCC[NH2+]C1CC1 ZINC000020525358 182934229 /nfs/dbraw/zinc/93/42/29/182934229.db2.gz DIOCNWMHTUGBIN-UHFFFAOYSA-N 1 0 240.234 1.865 10 5 BDBERO O=[N+]([O-])c1ccnc(NC[C@H]2CCC[NH2+]2)c1 ZINC000053254975 182954748 /nfs/dbraw/zinc/95/47/48/182954748.db2.gz UBUSXAHYARAEIG-MRVPVSSYSA-N 1 0 222.248 1.154 10 5 BDBERO O=[N+]([O-])c1ccc2ncn(C3CC[NH2+]CC3)c2c1 ZINC000090367531 182942128 /nfs/dbraw/zinc/94/21/28/182942128.db2.gz ZYZFHZHLGODXEO-UHFFFAOYSA-N 1 0 246.270 1.869 10 5 BDBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000309391787 384013877 /nfs/dbraw/zinc/01/38/77/384013877.db2.gz BZXBUHBWRFUCMA-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO C[C@@H](CCCC[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000310459914 384173865 /nfs/dbraw/zinc/17/38/65/384173865.db2.gz XPYLZRNOCTZZOB-VIFPVBQESA-N 1 0 238.291 1.919 10 5 BDBERO Cc1cnc(N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320423272 384698572 /nfs/dbraw/zinc/69/85/72/384698572.db2.gz YEJMWEFEUYLKJW-DTWKUNHWSA-N 1 0 238.291 1.836 10 5 BDBERO [NH3+][C@@H](CO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000072198301 384814666 /nfs/dbraw/zinc/81/46/66/384814666.db2.gz ZUBSSHDNHDPASN-ZETCQYMHSA-N 1 0 216.624 1.240 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCC[NH3+])n1 ZINC000310104537 385085640 /nfs/dbraw/zinc/08/56/40/385085640.db2.gz OTPUUOHTGCYXRL-QMMMGPOBSA-N 1 0 238.291 1.838 10 5 BDBERO Cc1ccc(NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000336686019 385698006 /nfs/dbraw/zinc/69/80/06/385698006.db2.gz UKWXXXKGQPACTN-SECBINFHSA-N 1 0 223.276 1.910 10 5 BDBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000336717127 385834737 /nfs/dbraw/zinc/83/47/37/385834737.db2.gz XURSBZRPXVYIMH-SSDOTTSWSA-N 1 0 210.237 1.139 10 5 BDBERO Cc1cc(N[C@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000086003223 386738249 /nfs/dbraw/zinc/73/82/49/386738249.db2.gz NYDCHRFQXBJJDX-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[NH2+]C2)n1 ZINC000162860955 387467891 /nfs/dbraw/zinc/46/78/91/387467891.db2.gz LDTPUISNNRYKJH-VIFPVBQESA-N 1 0 236.275 1.462 10 5 BDBERO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000095070511 388758140 /nfs/dbraw/zinc/75/81/40/388758140.db2.gz ONSMWCODUBTYSW-SECBINFHSA-N 1 0 236.275 1.178 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CCC([NH3+])CC1 ZINC000036754863 132342478 /nfs/dbraw/zinc/34/24/78/132342478.db2.gz ALQLNAALMSFCES-UHFFFAOYSA-N 1 0 235.287 1.831 10 5 BDBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069802585 134904012 /nfs/dbraw/zinc/90/40/12/134904012.db2.gz QIJJJZALDMSDIJ-UHFFFAOYSA-N 1 0 223.276 1.559 10 5 BDBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000163864290 135207637 /nfs/dbraw/zinc/20/76/37/135207637.db2.gz XEDWYPSDYIIEBW-QMMMGPOBSA-N 1 0 249.270 1.389 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000042375232 173126451 /nfs/dbraw/zinc/12/64/51/173126451.db2.gz OECQNVCRZMKGKO-SNVBAGLBSA-N 1 0 221.260 1.711 10 5 BDBERO C[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000034979688 173334315 /nfs/dbraw/zinc/33/43/15/173334315.db2.gz HIYQHKVQMBSMEL-UHFFFAOYSA-N 1 0 243.650 1.406 10 5 BDBERO COc1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000019436190 175150631 /nfs/dbraw/zinc/15/06/31/175150631.db2.gz BLRWJLMBYPDVCI-UHFFFAOYSA-N 1 0 225.248 1.364 10 5 BDBERO C[C@@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000336671290 175664539 /nfs/dbraw/zinc/66/45/39/175664539.db2.gz AZTLJWYZIQBGLV-VIFPVBQESA-N 1 0 238.291 1.919 10 5 BDBERO [NH3+]C[C@@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000536957512 323968368 /nfs/dbraw/zinc/96/83/68/323968368.db2.gz HJJIYUDUKGVJJF-JQWIXIFHSA-N 1 0 236.271 1.816 10 5 BDBERO Cc1cc(N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000082576405 325542973 /nfs/dbraw/zinc/54/29/73/325542973.db2.gz YIFKOFDVEHCHOC-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH3+] ZINC000082576255 325543061 /nfs/dbraw/zinc/54/30/61/325543061.db2.gz BIYZEYGIGUTQIG-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO CC[C@H]1Oc2c(cccc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757175680 582552550 /nfs/dbraw/zinc/55/25/50/582552550.db2.gz GUABGESPHADNST-BDAKNGLRSA-N 1 0 208.217 1.766 10 5 BDBERO CC(C)(CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020196849 590083646 /nfs/dbraw/zinc/08/36/46/590083646.db2.gz WZEZBQHCLSSBAB-UHFFFAOYSA-N 1 0 224.260 1.455 10 5 BDBERO C[C@H]([NH3+])CN(C)c1ccccc1[N+](=O)[O-] ZINC000309035117 631807449 /nfs/dbraw/zinc/80/74/49/631807449.db2.gz FLQPSOXLHJSEHW-QMMMGPOBSA-N 1 0 209.249 1.378 10 5 BDBERO C[C@@H]([NH3+])CN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000310304850 634109633 /nfs/dbraw/zinc/10/96/33/634109633.db2.gz RJIFTDPTPRCEHZ-ZCFIWIBFSA-N 1 0 245.229 1.656 10 5 BDBERO Cc1ccc(N[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000721864005 711791972 /nfs/dbraw/zinc/79/19/72/711791972.db2.gz UESFXCGMAKVDEZ-MWLCHTKSSA-N 1 0 235.287 1.923 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000721954196 711948035 /nfs/dbraw/zinc/94/80/35/711948035.db2.gz QSFUWGKILBZDOH-PSASIEDQSA-N 1 0 221.260 1.615 10 5 BDBERO C[C@H]1C[C@H]([NH3+])CN1c1cccc(F)c1[N+](=O)[O-] ZINC000702637373 712057959 /nfs/dbraw/zinc/05/79/59/712057959.db2.gz KLGQUTCRCBKNIG-YUMQZZPRSA-N 1 0 239.250 1.660 10 5 BDBERO Cc1ccc(N2C[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000702671643 712058483 /nfs/dbraw/zinc/05/84/83/712058483.db2.gz KAQFOKDFUKVPBJ-NXEZZACHSA-N 1 0 235.287 1.829 10 5 BDBERO CN(C)C(=O)Oc1ccc([N+](C)(C)C)cc1 ZINC000002012067 717092933 /nfs/dbraw/zinc/09/29/33/717092933.db2.gz HLXOKBLSHGVHLB-UHFFFAOYSA-N 1 0 223.296 1.944 10 5 BDBERO C[N+](C)(C)CCOC(=O)c1ccc(N)cc1 ZINC000003620964 717096181 /nfs/dbraw/zinc/09/61/81/717096181.db2.gz BGYDOFIQGSUQKN-UHFFFAOYSA-O 1 0 223.296 1.132 10 5 BDBERO CC[N+](CC)(CC)Cc1nc(C)cc(N)n1 ZINC000006870821 717104667 /nfs/dbraw/zinc/10/46/67/717104667.db2.gz YJXOKADFNDGETH-UHFFFAOYSA-N 1 0 223.344 1.744 10 5 BDBERO Clc1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000007613146 717105233 /nfs/dbraw/zinc/10/52/33/717105233.db2.gz DFKLNILLFAOHNR-UHFFFAOYSA-N 1 0 237.754 1.986 10 5 BDBERO Cc1cc(NC(=O)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000043570234 178143997 /nfs/dbraw/zinc/14/39/97/178143997.db2.gz XEDKRZRZVFHSBX-SSDOTTSWSA-N 1 0 223.232 1.189 10 5 BDBERO [NH3+]Cc1cnc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000309200986 342910790 /nfs/dbraw/zinc/91/07/90/342910790.db2.gz XWBUODJCZCLDNZ-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000600961776 344020619 /nfs/dbraw/zinc/02/06/19/344020619.db2.gz WFUBFKCEKPMSMM-WDEREUQCSA-N 1 0 249.314 1.934 10 5 BDBERO C[C@@H]([NH3+])Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000584881079 343081999 /nfs/dbraw/zinc/08/19/99/343081999.db2.gz NBBCSVBACICFLE-SSDOTTSWSA-N 1 0 219.244 1.966 10 5 BDBERO COc1cccc(NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000135051718 343620570 /nfs/dbraw/zinc/62/05/70/343620570.db2.gz WZMYQRCEDDDSCE-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000082579251 133502712 /nfs/dbraw/zinc/50/27/12/133502712.db2.gz MNLZDJWZMCHKQY-SSDOTTSWSA-N 1 0 210.237 1.139 10 5 BDBERO COc1cccc(N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000135060151 343665814 /nfs/dbraw/zinc/66/58/14/343665814.db2.gz JMUYCWZPZYDSTF-UHFFFAOYSA-N 1 0 239.275 1.388 10 5 BDBERO C[C@@H]([NH3+])[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000381561287 344520999 /nfs/dbraw/zinc/52/09/99/344520999.db2.gz HYPKSXHIKBOSAD-RITPCOANSA-N 1 0 244.682 1.791 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381597769 344525951 /nfs/dbraw/zinc/52/59/51/344525951.db2.gz MQGMHHOMMPAISQ-HTQZYQBOSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@@H]([NH3+])[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000381696586 344535096 /nfs/dbraw/zinc/53/50/96/344535096.db2.gz GHLNTQUFEGPRRR-RQJHMYQMSA-N 1 0 210.237 1.137 10 5 BDBERO Cc1cccc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600962616 344816962 /nfs/dbraw/zinc/81/69/62/344816962.db2.gz ZSVJPHOXXNLFOY-MNOVXSKESA-N 1 0 249.314 1.934 10 5 BDBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000600963104 344860508 /nfs/dbraw/zinc/86/05/08/344860508.db2.gz RXIHVDPCVPAIRZ-VXNVDRBHSA-N 1 0 239.250 1.660 10 5 BDBERO CC(=O)O[C@H]1CC[N@@+](C)(Cc2ccccc2)C1 ZINC000255993770 187396718 /nfs/dbraw/zinc/39/67/18/187396718.db2.gz PANOIMCJTIWCAF-GJZGRUSLSA-N 1 0 234.319 1.969 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596033135 348427829 /nfs/dbraw/zinc/42/78/29/348427829.db2.gz RANUNPQTYZXIAH-SSDOTTSWSA-N 1 0 210.237 1.010 10 5 BDBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000038051067 349300236 /nfs/dbraw/zinc/30/02/36/349300236.db2.gz MEXHRFHXZDMPIZ-NXEZZACHSA-N 1 0 236.275 1.672 10 5 BDBERO Cc1nc(NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000124134696 180018901 /nfs/dbraw/zinc/01/89/01/180018901.db2.gz QDCFRWFNMLWZFA-SECBINFHSA-N 1 0 238.291 1.693 10 5 BDBERO Cc1nc(N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000310441038 180021981 /nfs/dbraw/zinc/02/19/81/180021981.db2.gz PQLGZMHPQVSPDC-QMMMGPOBSA-N 1 0 238.291 1.838 10 5 BDBERO CC1(Nc2ccsc2[N+](=O)[O-])C[NH2+]C1 ZINC000307165822 351531045 /nfs/dbraw/zinc/53/10/45/351531045.db2.gz MSLMOBIMYLXFGG-UHFFFAOYSA-N 1 0 213.262 1.430 10 5 BDBERO C[NH2+]Cc1cnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000042355681 188119364 /nfs/dbraw/zinc/11/93/64/188119364.db2.gz BZADDEVONRQTJZ-UHFFFAOYSA-N 1 0 246.270 1.808 10 5 BDBERO CC(C)C[C@H](C[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000111830282 188181729 /nfs/dbraw/zinc/18/17/29/188181729.db2.gz PRHHXEPLVBFVHH-MRVPVSSYSA-N 1 0 241.295 1.114 10 5 BDBERO NC(=[NH2+])N[C@@H]1CCc2ccc([N+](=O)[O-])cc21 ZINC000169323209 181190679 /nfs/dbraw/zinc/19/06/79/181190679.db2.gz OHLCRYBAOWSMET-SECBINFHSA-N 1 0 220.232 1.065 10 5 BDBERO Cc1cnc(NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420220579 192193523 /nfs/dbraw/zinc/19/35/23/192193523.db2.gz SLAPVFQJXKCEDA-MRVPVSSYSA-N 1 0 224.264 1.305 10 5 BDBERO Cc1cnc(NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000090692538 363565435 /nfs/dbraw/zinc/56/54/35/363565435.db2.gz HWBSUEYHWITGGJ-UHFFFAOYSA-N 1 0 236.275 1.462 10 5 BDBERO CC[NH2+]CCCNc1ncc([N+](=O)[O-])s1 ZINC000226779123 358343222 /nfs/dbraw/zinc/34/32/22/358343222.db2.gz FPYSDWKLJAQZII-UHFFFAOYSA-N 1 0 230.293 1.463 10 5 BDBERO CC(C)([NH3+])c1ncc(Cl)cc1[N+](=O)[O-] ZINC000306217523 359331110 /nfs/dbraw/zinc/33/11/10/359331110.db2.gz DFHHVGZRUFUZNY-UHFFFAOYSA-N 1 0 215.640 1.837 10 5 BDBERO [NH3+][C@@H](CF)c1cc(F)ccc1[N+](=O)[O-] ZINC000238573095 361155557 /nfs/dbraw/zinc/15/55/57/361155557.db2.gz ASRQFXSDSJUHMT-ZETCQYMHSA-N 1 0 202.160 1.703 10 5 BDBERO O=[N+]([O-])c1ccc(NC2CC[NH2+]CC2)c(F)c1 ZINC000037116584 361677026 /nfs/dbraw/zinc/67/70/26/361677026.db2.gz OAMCPSJAVINBJC-UHFFFAOYSA-N 1 0 239.250 1.898 10 5 BDBERO [NH3+]CCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037018371 181369465 /nfs/dbraw/zinc/36/94/65/181369465.db2.gz XPKVDHAZBOYMSF-UHFFFAOYSA-N 1 0 243.650 1.536 10 5 BDBERO [NH3+]CCCc1noc(-c2ccc([N+](=O)[O-])o2)n1 ZINC000054139209 181388128 /nfs/dbraw/zinc/38/81/28/181388128.db2.gz GRMBTVKRSDYKKC-UHFFFAOYSA-N 1 0 238.203 1.129 10 5 BDBERO [NH3+]C[C@H]1C[C@@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000675060747 541464231 /nfs/dbraw/zinc/46/42/31/541464231.db2.gz OCWFFCZMDLWKKY-MWLCHTKSSA-N 1 0 222.244 1.426 10 5 BDBERO [NH3+]C[C@]1(CO)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000070500314 181468846 /nfs/dbraw/zinc/46/88/46/181468846.db2.gz KVQBIELVIDUNSP-ONGXEEELSA-N 1 0 222.244 1.020 10 5 BDBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000070010781 371002535 /nfs/dbraw/zinc/00/25/35/371002535.db2.gz XNLFECSJBZLYJC-NSHDSACASA-N 1 0 223.276 1.990 10 5 BDBERO [NH3+][C@H]1CCCc2ccc([N+](=O)[O-])cc2[C@H]1O ZINC000019795601 371189421 /nfs/dbraw/zinc/18/94/21/371189421.db2.gz SKAPZXGDWMYAFQ-WDEREUQCSA-N 1 0 222.244 1.292 10 5 BDBERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000063172351 181584516 /nfs/dbraw/zinc/58/45/16/181584516.db2.gz IVBATCDRFNYCNY-NXEZZACHSA-N 1 0 249.270 1.204 10 5 BDBERO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600960884 371716220 /nfs/dbraw/zinc/71/62/20/371716220.db2.gz JQXIRQZDKXDTPW-BDAKNGLRSA-N 1 0 236.275 1.021 10 5 BDBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000600961325 371718433 /nfs/dbraw/zinc/71/84/33/371718433.db2.gz PVZQGVIIDQQFOX-RNFRBKRXSA-N 1 0 242.304 1.082 10 5 BDBERO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[NH2+]2)s1 ZINC000226779396 371742880 /nfs/dbraw/zinc/74/28/80/371742880.db2.gz LNEQMIQVURTWNO-ZETCQYMHSA-N 1 0 242.304 1.605 10 5 BDBERO COc1cc(NC[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860274 371949509 /nfs/dbraw/zinc/94/95/09/371949509.db2.gz UWISDFJPRDUFGI-LURJTMIESA-N 1 0 243.238 1.502 10 5 BDBERO O=[N+]([O-])c1ccc(C2=CC=[NH+]CCN2)cc1 ZINC000072416582 384117168 /nfs/dbraw/zinc/11/71/68/384117168.db2.gz ZIDDTVYIUQHYGX-UHFFFAOYSA-N 1 0 217.228 1.501 10 5 BDBERO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000394445569 384193436 /nfs/dbraw/zinc/19/34/36/384193436.db2.gz FGCLPUKPUPRTQN-HTQZYQBOSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1cnc(N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320423275 384699755 /nfs/dbraw/zinc/69/97/55/384699755.db2.gz YEJMWEFEUYLKJW-IUCAKERBSA-N 1 0 238.291 1.836 10 5 BDBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000320600044 384757778 /nfs/dbraw/zinc/75/77/78/384757778.db2.gz XBXAXCPISAKSSS-SFYZADRCSA-N 1 0 224.264 1.528 10 5 BDBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051883469 386558835 /nfs/dbraw/zinc/55/88/35/386558835.db2.gz KSRASAIFCIKEHT-VIFPVBQESA-N 1 0 237.259 1.511 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH3+])c1 ZINC000087151082 386690423 /nfs/dbraw/zinc/69/04/23/386690423.db2.gz PXASNMQTTYYEEO-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO CCc1c(C[NH3+])cc(OC)cc1[N+](=O)[O-] ZINC000575725126 387460513 /nfs/dbraw/zinc/46/05/13/387460513.db2.gz GQFWAXFVRUFMCS-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO CCc1cc(C[NH3+])c(OC)c([N+](=O)[O-])c1 ZINC000575726790 387463630 /nfs/dbraw/zinc/46/36/30/387463630.db2.gz XXGCNHZSWHTRDK-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000095070515 388757586 /nfs/dbraw/zinc/75/75/86/388757586.db2.gz MJQBNWKUDDIDHU-SECBINFHSA-N 1 0 236.275 1.178 10 5 BDBERO Cc1c(O[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000051783873 177623918 /nfs/dbraw/zinc/62/39/18/177623918.db2.gz PDIYWCPCGVWEHT-SECBINFHSA-N 1 0 222.244 1.644 10 5 BDBERO COc1cccc(NCCC[NH3+])c1[N+](=O)[O-] ZINC000129671196 134612726 /nfs/dbraw/zinc/61/27/26/134612726.db2.gz HNPFXJCUCQQMGJ-UHFFFAOYSA-N 1 0 225.248 1.364 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000261564552 135206632 /nfs/dbraw/zinc/20/66/32/135206632.db2.gz XSFHVQVUPHZNNI-RKDXNWHRSA-N 1 0 236.275 1.224 10 5 BDBERO CC(C)[NH2+]C[C@H](O)Cc1cccc([N+](=O)[O-])c1 ZINC000071548719 167114687 /nfs/dbraw/zinc/11/46/87/167114687.db2.gz JPYXPWBKRMPHNO-GFCCVEGCSA-N 1 0 238.287 1.496 10 5 BDBERO CN(C[C@@H]1CCC[NH2+]1)c1ncccc1[N+](=O)[O-] ZINC000095070948 172809903 /nfs/dbraw/zinc/80/99/03/172809903.db2.gz JIUFEQVJIYSSOT-VIFPVBQESA-N 1 0 236.275 1.178 10 5 BDBERO COc1cc(N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336675968 175003317 /nfs/dbraw/zinc/00/33/17/175003317.db2.gz CDLOEZBRCJJIEJ-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1OCCC[NH3+] ZINC000037981886 175201228 /nfs/dbraw/zinc/20/12/28/175201228.db2.gz GIKXTYUTWSMBMK-UHFFFAOYSA-N 1 0 226.232 1.331 10 5 BDBERO C[C@@H](C[NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000309287366 175708457 /nfs/dbraw/zinc/70/84/57/175708457.db2.gz GRDSDXGGPPPHGN-ZETCQYMHSA-N 1 0 227.239 1.741 10 5 BDBERO C[C@H]([NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000037608983 176763225 /nfs/dbraw/zinc/76/32/25/176763225.db2.gz WFMWSJUFPKUHOO-QMMMGPOBSA-N 1 0 246.270 1.875 10 5 BDBERO C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000400459739 226343962 /nfs/dbraw/zinc/34/39/62/226343962.db2.gz RCPXMGBBSYIJLG-QWRGUYRKSA-N 1 0 249.314 1.682 10 5 BDBERO O=[N+]([O-])c1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000039332074 490220430 /nfs/dbraw/zinc/22/04/30/490220430.db2.gz WYVXKKHXLDXLOM-KOLCDFICSA-N 1 0 204.229 1.456 10 5 BDBERO CC[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]1[NH3+] ZINC000757176065 582552521 /nfs/dbraw/zinc/55/25/21/582552521.db2.gz YRGXYMHMGGWGLC-WPRPVWTQSA-N 1 0 208.217 1.766 10 5 BDBERO CC[C@H]1Oc2c(cccc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757175711 586433128 /nfs/dbraw/zinc/43/31/28/586433128.db2.gz GUABGESPHADNST-RKDXNWHRSA-N 1 0 208.217 1.766 10 5 BDBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1C ZINC000122821224 589634637 /nfs/dbraw/zinc/63/46/37/589634637.db2.gz UMVTXYYXDGCYMG-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC000165931204 640600004 /nfs/dbraw/zinc/60/00/04/640600004.db2.gz FOYOFEYZESGIQU-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO COC[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308012 641390959 /nfs/dbraw/zinc/39/09/59/641390959.db2.gz XVANCWBZWVNMIR-MRVPVSSYSA-N 1 0 242.250 1.858 10 5 BDBERO CCN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000071314126 643124476 /nfs/dbraw/zinc/12/44/76/643124476.db2.gz DYQXORSVMRAWIC-SECBINFHSA-N 1 0 236.275 1.178 10 5 BDBERO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050244030 643657120 /nfs/dbraw/zinc/65/71/20/643657120.db2.gz NLOOGBOCNJJCCO-ZETCQYMHSA-N 1 0 241.678 1.786 10 5 BDBERO [NH3+]CC[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000723669317 710730028 /nfs/dbraw/zinc/73/00/28/710730028.db2.gz HNJCMGOYQUEHAP-SECBINFHSA-N 1 0 236.275 1.165 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000723787733 710731226 /nfs/dbraw/zinc/73/12/26/710731226.db2.gz BEOPKSDHFBAPHQ-BDAKNGLRSA-N 1 0 236.275 1.257 10 5 BDBERO [NH3+]CC[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000723671244 711533167 /nfs/dbraw/zinc/53/31/67/711533167.db2.gz YTHHFIROSOGUQS-VIFPVBQESA-N 1 0 236.275 1.165 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000715073073 712506272 /nfs/dbraw/zinc/50/62/72/712506272.db2.gz HATDHPMECNGGJL-KYZUINATSA-N 1 0 221.260 1.744 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000715097839 712508549 /nfs/dbraw/zinc/50/85/49/712508549.db2.gz UDQKDPOVIGYIIK-ZKCHVHJHSA-N 1 0 239.250 1.883 10 5 BDBERO CC1(C)CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000720821235 712868962 /nfs/dbraw/zinc/86/89/62/712868962.db2.gz ZECFTUHEANZWLU-NSHDSACASA-N 1 0 235.287 1.768 10 5 BDBERO C[N+](C)(C)CCOC(=O)NCc1ccccc1 ZINC000006068102 717103778 /nfs/dbraw/zinc/10/37/78/717103778.db2.gz AZVAAMPLMYRWFU-UHFFFAOYSA-O 1 0 237.323 1.619 10 5 BDBERO C[N+](C)(C)CCOc1cccc2c1OCCO2 ZINC000031622898 717120618 /nfs/dbraw/zinc/12/06/18/717120618.db2.gz BJJCKAUOWLFUME-UHFFFAOYSA-N 1 0 238.307 1.543 10 5 BDBERO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000062116580 178144851 /nfs/dbraw/zinc/14/48/51/178144851.db2.gz QIWGHSHPAHPNLK-SECBINFHSA-N 1 0 249.270 1.451 10 5 BDBERO CN(C[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cn1 ZINC000095071210 398279717 /nfs/dbraw/zinc/27/97/17/398279717.db2.gz YRJCJSMFAJGNSU-SECBINFHSA-N 1 0 236.275 1.036 10 5 BDBERO Cc1ccnc(N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320012274 342731313 /nfs/dbraw/zinc/73/13/13/342731313.db2.gz AEYPNLSTHQEEIA-IUCAKERBSA-N 1 0 238.291 1.836 10 5 BDBERO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320236108 342732523 /nfs/dbraw/zinc/73/25/23/342732523.db2.gz HXLAOXRWGFNLAW-IUCAKERBSA-N 1 0 238.291 1.836 10 5 BDBERO Cc1nn(C)c(N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320644438 342735282 /nfs/dbraw/zinc/73/52/82/342735282.db2.gz FJHVTRVVIRNOIT-RNFRBKRXSA-N 1 0 241.295 1.174 10 5 BDBERO CCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000165930788 344232471 /nfs/dbraw/zinc/23/24/71/344232471.db2.gz OSXWBFYIAOWZEK-UHFFFAOYSA-N 1 0 209.249 1.380 10 5 BDBERO [NH3+]Cc1ncc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000309516680 344238115 /nfs/dbraw/zinc/23/81/15/344238115.db2.gz VJSMIWVKYZRMLC-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO C[NH2+]CCOCCNc1ccc([N+](=O)[O-])cc1 ZINC000600951001 344401343 /nfs/dbraw/zinc/40/13/43/344401343.db2.gz CWCFGMRFWIAFJD-UHFFFAOYSA-N 1 0 239.275 1.243 10 5 BDBERO COc1cc(N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381344193 344497671 /nfs/dbraw/zinc/49/76/71/344497671.db2.gz GBEBDQHHPLDGBZ-JGVFFNPUSA-N 1 0 239.275 1.751 10 5 BDBERO Cc1ccnc(N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381591369 344524629 /nfs/dbraw/zinc/52/46/29/344524629.db2.gz LMVBEFSOQLGJSY-HTQZYQBOSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1ccc(N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000132012586 178713912 /nfs/dbraw/zinc/71/39/12/178713912.db2.gz JNGKYPNYLPQCGM-JTQLQIEISA-N 1 0 235.287 1.831 10 5 BDBERO Cc1cc(N2C[C@H]([NH3+])C[C@H]2C)ncc1[N+](=O)[O-] ZINC000600963469 344934778 /nfs/dbraw/zinc/93/47/78/344934778.db2.gz VHHNQOLBZWRVBU-RKDXNWHRSA-N 1 0 236.275 1.224 10 5 BDBERO [NH3+][C@@H](CCO)c1cc([N+](=O)[O-])ccc1F ZINC000044232889 344988258 /nfs/dbraw/zinc/98/82/58/344988258.db2.gz LZVCPLWVLASPRB-VIFPVBQESA-N 1 0 214.196 1.116 10 5 BDBERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000091480847 345594053 /nfs/dbraw/zinc/59/40/53/345594053.db2.gz BDXDKRCBQGNORU-LLVKDONJSA-N 1 0 249.314 1.983 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(-c2nnc(CC[NH3+])o2)c1 ZINC000083378166 178927487 /nfs/dbraw/zinc/92/74/87/178927487.db2.gz PZRKMQFGXCLTJG-UHFFFAOYSA-N 1 0 248.242 1.454 10 5 BDBERO [NH3+]CCc1cc(F)c(F)cc1[N+](=O)[O-] ZINC000585672564 346651898 /nfs/dbraw/zinc/65/18/98/346651898.db2.gz PECKIUVJPVWBPK-UHFFFAOYSA-N 1 0 202.160 1.374 10 5 BDBERO Cc1cc(NC2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000092027520 346751002 /nfs/dbraw/zinc/75/10/02/346751002.db2.gz JSDAPFRLRUURET-UHFFFAOYSA-N 1 0 236.275 1.462 10 5 BDBERO CC1([NH3+])CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591434435 347659824 /nfs/dbraw/zinc/65/98/24/347659824.db2.gz HGSRRAZXXFBWAE-UHFFFAOYSA-N 1 0 235.287 1.912 10 5 BDBERO Cc1cc(N(C)CC(C)(C)[NH3+])ncc1[N+](=O)[O-] ZINC000594693732 348100329 /nfs/dbraw/zinc/10/03/29/348100329.db2.gz SJUMAIKBXPAVSB-UHFFFAOYSA-N 1 0 238.291 1.472 10 5 BDBERO O=[N+]([O-])c1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000595001304 348169555 /nfs/dbraw/zinc/16/95/55/348169555.db2.gz UJJHJPMIPRXTTC-UHFFFAOYSA-N 1 0 236.271 1.455 10 5 BDBERO O=[N+]([O-])c1ccc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000596025983 348425128 /nfs/dbraw/zinc/42/51/28/348425128.db2.gz BIFHTWQPWVNEMU-UHFFFAOYSA-N 1 0 234.259 1.154 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000596032202 348427240 /nfs/dbraw/zinc/42/72/40/348427240.db2.gz JAERPZKCHUPYSV-ZETCQYMHSA-N 1 0 227.239 1.754 10 5 BDBERO C[NH2+]C[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000596032161 348427248 /nfs/dbraw/zinc/42/72/48/348427248.db2.gz HRPWSCXSTCZKAS-QMMMGPOBSA-N 1 0 224.264 1.318 10 5 BDBERO O=[N+]([O-])c1cccc(COC[C@H]2CCC[NH2+]2)c1 ZINC000051816396 350136159 /nfs/dbraw/zinc/13/61/59/350136159.db2.gz UQAFFUVTBMWNBJ-LLVKDONJSA-N 1 0 236.271 1.863 10 5 BDBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)C ZINC000098084123 180174985 /nfs/dbraw/zinc/17/49/85/180174985.db2.gz IWEFCIBYDJOUSE-UHFFFAOYSA-N 1 0 212.253 1.098 10 5 BDBERO O=[N+]([O-])c1ccc2nc(NC3C[NH2+]C3)ccc2c1 ZINC000090289380 363032399 /nfs/dbraw/zinc/03/23/99/363032399.db2.gz BUEVPIQILSAHEL-UHFFFAOYSA-N 1 0 244.254 1.527 10 5 BDBERO [NH3+]Cc1c(F)ccc(Br)c1[N+](=O)[O-] ZINC000307525885 352635049 /nfs/dbraw/zinc/63/50/49/352635049.db2.gz GXGYEZWSDQZCAF-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO CCCC[C@H](C[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000130556362 363270846 /nfs/dbraw/zinc/27/08/46/363270846.db2.gz VKXSJNXEJCKXAF-MRVPVSSYSA-N 1 0 241.295 1.258 10 5 BDBERO C[C@@H](C[NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000420218959 192193531 /nfs/dbraw/zinc/19/35/31/192193531.db2.gz PZLUBFLJTVYHJF-LURJTMIESA-N 1 0 244.682 1.650 10 5 BDBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389694992 356861434 /nfs/dbraw/zinc/86/14/34/356861434.db2.gz CGBXAVNBYRBUOB-PSASIEDQSA-N 1 0 236.275 1.400 10 5 BDBERO Cc1ccc(N(C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000085258457 134272639 /nfs/dbraw/zinc/27/26/39/134272639.db2.gz DOAOECKDBPVLMB-UHFFFAOYSA-N 1 0 221.260 1.311 10 5 BDBERO C[C@H]([NH3+])CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081590616 370901471 /nfs/dbraw/zinc/90/14/71/370901471.db2.gz JGFOXVHPTDMOQK-ZETCQYMHSA-N 1 0 247.258 1.297 10 5 BDBERO CC[NH2+][C@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000387579289 368973105 /nfs/dbraw/zinc/97/31/05/368973105.db2.gz PHHKCQQYDIRVOZ-SECBINFHSA-N 1 0 238.291 1.708 10 5 BDBERO CC[NH2+][C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000387582451 368973268 /nfs/dbraw/zinc/97/32/68/368973268.db2.gz QDCXAHNNSYPPCT-SSDOTTSWSA-N 1 0 241.295 1.047 10 5 BDBERO CC[C@H]([NH3+])CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000155924374 371317688 /nfs/dbraw/zinc/31/76/88/371317688.db2.gz UMJQLJICTPFRBF-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[NH2+]1 ZINC000600954430 371712847 /nfs/dbraw/zinc/71/28/47/371712847.db2.gz BLBHUSNCBPELJC-RKDXNWHRSA-N 1 0 236.275 1.542 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C[NH3+] ZINC000600962035 371716046 /nfs/dbraw/zinc/71/60/46/371716046.db2.gz SZYLPWCJJONHIY-RKDXNWHRSA-N 1 0 236.275 1.021 10 5 BDBERO C[C@H]1C[C@H]([NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000600962302 371718141 /nfs/dbraw/zinc/71/81/41/371718141.db2.gz CZKXYORSWRBRIT-IUCAKERBSA-N 1 0 221.260 1.521 10 5 BDBERO O=[N+]([O-])c1cnc(NCC2CC[NH2+]CC2)s1 ZINC000226779424 371743182 /nfs/dbraw/zinc/74/31/82/371743182.db2.gz LVNZZRKBDSTSHF-UHFFFAOYSA-N 1 0 242.304 1.463 10 5 BDBERO Cc1cc(N(C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000227750014 371929104 /nfs/dbraw/zinc/92/91/04/371929104.db2.gz WGWXPCPTBOKZCF-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO [NH3+]Cc1nc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000381355502 374114800 /nfs/dbraw/zinc/11/48/00/374114800.db2.gz CQUJYKIIMIQVOK-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO O=[N+]([O-])c1cccc2c1[C@H]1C[NH2+]C[C@@H](C2)C1 ZINC000028474567 182948430 /nfs/dbraw/zinc/94/84/30/182948430.db2.gz QAOGJKYLKKJSNB-WCBMZHEXSA-N 1 0 218.256 1.844 10 5 BDBERO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255372 182959919 /nfs/dbraw/zinc/95/99/19/182959919.db2.gz QUCMMTGCLWHYEK-QMMMGPOBSA-N 1 0 222.248 1.154 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH3+])n1 ZINC000088036537 383918505 /nfs/dbraw/zinc/91/85/05/383918505.db2.gz KAEHJWRGUMNJBX-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO C[NH2+]CCCNc1ccc([N+](=O)[O-])cn1 ZINC000260315345 384239547 /nfs/dbraw/zinc/23/95/47/384239547.db2.gz ZMRRCZURMKGIJQ-UHFFFAOYSA-N 1 0 210.237 1.011 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000308593709 384338541 /nfs/dbraw/zinc/33/85/41/384338541.db2.gz XDHKAFPNSKYDTB-YFKPBYRVSA-N 1 0 216.266 1.201 10 5 BDBERO Cc1ccc([C@@H]([NH3+])CCO)cc1[N+](=O)[O-] ZINC000044232722 384539181 /nfs/dbraw/zinc/53/91/81/384539181.db2.gz QUDHHPDWCQBBNC-VIFPVBQESA-N 1 0 210.233 1.285 10 5 BDBERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000336704363 385784404 /nfs/dbraw/zinc/78/44/04/385784404.db2.gz QQLCBLMJVMQMBA-QMMMGPOBSA-N 1 0 209.249 1.602 10 5 BDBERO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408348120 386166775 /nfs/dbraw/zinc/16/67/75/386166775.db2.gz ZCZTWFAOBRZSSA-BDAKNGLRSA-N 1 0 238.291 1.559 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH3+])n1 ZINC000088036529 387525388 /nfs/dbraw/zinc/52/53/88/387525388.db2.gz VEYNTEQBUIDRRH-ZETCQYMHSA-N 1 0 224.264 1.447 10 5 BDBERO CC[C@@H]([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000304621890 388359471 /nfs/dbraw/zinc/35/94/71/388359471.db2.gz XZFWGHWWIGKBHT-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO CNc1ccc(C2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000090505418 388627729 /nfs/dbraw/zinc/62/77/29/388627729.db2.gz XFOQPVYRINYXTA-UHFFFAOYSA-N 1 0 207.233 1.584 10 5 BDBERO Cc1c([N+](=O)[O-])cccc1N1CC[NH2+]CC1 ZINC000003716172 132315820 /nfs/dbraw/zinc/31/58/20/132315820.db2.gz DCYZCARSBMYDNG-UHFFFAOYSA-N 1 0 221.260 1.313 10 5 BDBERO C[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000235490013 134593019 /nfs/dbraw/zinc/59/30/19/134593019.db2.gz OKVJJCHTCGJSEY-LURJTMIESA-N 1 0 244.682 1.792 10 5 BDBERO Cc1nn(C)c(NC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000070463562 134918680 /nfs/dbraw/zinc/91/86/80/134918680.db2.gz KCTKWCAHABGWCX-QMMMGPOBSA-N 1 0 241.295 1.032 10 5 BDBERO CC(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cn1 ZINC000051872248 167103023 /nfs/dbraw/zinc/10/30/23/167103023.db2.gz HSCGVWPCBRPRCV-UHFFFAOYSA-N 1 0 239.275 1.757 10 5 BDBERO CC[NH2+]CCOc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053166477 170116829 /nfs/dbraw/zinc/11/68/29/170116829.db2.gz FCSVSMSGCVADFF-UHFFFAOYSA-N 1 0 246.213 1.861 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297560 173155077 /nfs/dbraw/zinc/15/50/77/173155077.db2.gz UVSVTOPMBMJZLB-VIFPVBQESA-N 1 0 222.248 1.106 10 5 BDBERO C[NH2+]CCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000069802641 173353629 /nfs/dbraw/zinc/35/36/29/173353629.db2.gz LIZGHPRXHHVUEM-UHFFFAOYSA-N 1 0 223.276 1.559 10 5 BDBERO C[NH2+]C[C@@H]1C[C@@H]1c1csc([N+](=O)[O-])c1 ZINC000054589009 173371918 /nfs/dbraw/zinc/37/19/18/173371918.db2.gz LBPPHVPSKOFKFC-XPUUQOCRSA-N 1 0 212.274 1.979 10 5 BDBERO C[NH2+]C[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000054588582 173372497 /nfs/dbraw/zinc/37/24/97/173372497.db2.gz MIBWJCNUWGYTAE-ONGXEEELSA-N 1 0 206.245 1.918 10 5 BDBERO COCCCOc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000037753509 174257156 /nfs/dbraw/zinc/25/71/56/174257156.db2.gz RREWTDGSUSXFEA-UHFFFAOYSA-N 1 0 240.259 1.469 10 5 BDBERO CCOc1cccc(N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000135053235 325390828 /nfs/dbraw/zinc/39/08/28/325390828.db2.gz NCVWYCQSZHYBSL-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000071148236 536467906 /nfs/dbraw/zinc/46/79/06/536467906.db2.gz QESQPSGFPTTWPS-LLVKDONJSA-N 1 0 249.314 1.949 10 5 BDBERO C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000111302751 588741612 /nfs/dbraw/zinc/74/16/12/588741612.db2.gz YNRAHXAVZQLREN-ZCFIWIBFSA-N 1 0 240.219 1.262 10 5 BDBERO COc1cc2c(c([N+](=O)[O-])c1)O[C@@H](C)[C@@H]2[NH3+] ZINC000757175897 582552969 /nfs/dbraw/zinc/55/29/69/582552969.db2.gz OEZHTXYARLVBAX-CDUCUWFYSA-N 1 0 224.216 1.384 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235667924 632066653 /nfs/dbraw/zinc/06/66/53/632066653.db2.gz BGLLIZPERSJLPM-KWQFWETISA-N 1 0 221.260 1.378 10 5 BDBERO Cc1ccnc(N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000309452029 633086324 /nfs/dbraw/zinc/08/63/24/633086324.db2.gz RFFHQMUUIMJJNH-QMMMGPOBSA-N 1 0 224.264 1.082 10 5 BDBERO C[C@@H]([NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697441 633993268 /nfs/dbraw/zinc/99/32/68/633993268.db2.gz LFBCIJDYEWUMHC-SSDOTTSWSA-N 1 0 248.242 1.535 10 5 BDBERO C[C@H](O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342190133 636327868 /nfs/dbraw/zinc/32/78/68/636327868.db2.gz JVFPJNLEBHXHAX-YUMQZZPRSA-N 1 0 242.250 1.593 10 5 BDBERO CC(C)(CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035603988 636652193 /nfs/dbraw/zinc/65/21/93/636652193.db2.gz PWOOWMWONBJZGQ-UHFFFAOYSA-N 1 0 242.250 1.594 10 5 BDBERO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000050249608 643665137 /nfs/dbraw/zinc/66/51/37/643665137.db2.gz RJFVSMYZXHWIHI-MRVPVSSYSA-N 1 0 239.250 1.519 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1NC1C[NH2+]C1 ZINC000085256820 643704103 /nfs/dbraw/zinc/70/41/03/643704103.db2.gz BMRBVGFHRQGBDM-UHFFFAOYSA-N 1 0 211.196 1.118 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@H](C)[NH3+] ZINC000309194537 711595187 /nfs/dbraw/zinc/59/51/87/711595187.db2.gz KTYVFJHXQACZDD-SECBINFHSA-N 1 0 223.276 1.687 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000701893114 712031882 /nfs/dbraw/zinc/03/18/82/712031882.db2.gz XDUFCSQWEREWOM-MRVPVSSYSA-N 1 0 224.264 1.318 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000715146197 712512524 /nfs/dbraw/zinc/51/25/24/712512524.db2.gz JQXIUOUFHMKRPA-OCAPTIKFSA-N 1 0 222.248 1.139 10 5 BDBERO C[C@H]1CCC[C@@H](C[N+]23CCN(CC2)CC3)C1 ZINC000092197660 717138097 /nfs/dbraw/zinc/13/80/97/717138097.db2.gz FJUVFQHINURALD-UONOGXRCSA-N 1 0 223.384 1.959 10 5 BDBERO Cc1ccc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c1 ZINC000052304447 178347625 /nfs/dbraw/zinc/34/76/25/178347625.db2.gz DPQREVAMGVZJKR-UHFFFAOYSA-N 1 0 246.270 1.590 10 5 BDBERO Cc1nn(C)c(N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320644440 342735215 /nfs/dbraw/zinc/73/52/15/342735215.db2.gz FJHVTRVVIRNOIT-RQJHMYQMSA-N 1 0 241.295 1.174 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000124125670 398313869 /nfs/dbraw/zinc/31/38/69/398313869.db2.gz FPUZZNBPUKAUPU-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO O=[N+]([O-])c1cnn([C@H]2C[NH+]3CCC2CC3)c1 ZINC000217659273 343315397 /nfs/dbraw/zinc/31/53/97/343315397.db2.gz ONRLRVPWGFYJKQ-JTQLQIEISA-N 1 0 222.248 1.058 10 5 BDBERO Cc1cc(N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000071311778 343654692 /nfs/dbraw/zinc/65/46/92/343654692.db2.gz QQGBXHPFEAXTMV-LLVKDONJSA-N 1 0 235.287 1.701 10 5 BDBERO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955687 343920170 /nfs/dbraw/zinc/92/01/70/343920170.db2.gz QNUSYNJLVMBPFB-IUCAKERBSA-N 1 0 236.275 1.542 10 5 BDBERO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408309003 344478224 /nfs/dbraw/zinc/47/82/24/344478224.db2.gz KQOPCZPCZUSHAF-QMMMGPOBSA-N 1 0 224.264 1.170 10 5 BDBERO Cc1cnc(N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381576359 344522350 /nfs/dbraw/zinc/52/23/50/344522350.db2.gz IPZVQZYWFHKYOW-SFYZADRCSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000600961286 344683562 /nfs/dbraw/zinc/68/35/62/344683562.db2.gz PCWDFYJMJDQNGB-QWRGUYRKSA-N 1 0 249.314 1.934 10 5 BDBERO C[C@@H]([NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000235178975 344836150 /nfs/dbraw/zinc/83/61/50/344836150.db2.gz OTWDBACURNOOKY-RXMQYKEDSA-N 1 0 231.202 1.632 10 5 BDBERO Cc1ccc([C@H]([NH3+])CCO)cc1[N+](=O)[O-] ZINC000044232718 344988629 /nfs/dbraw/zinc/98/86/29/344988629.db2.gz QUDHHPDWCQBBNC-SECBINFHSA-N 1 0 210.233 1.285 10 5 BDBERO [NH3+][C@@H](CCO)c1ccc([N+](=O)[O-])s1 ZINC000044233760 344989161 /nfs/dbraw/zinc/98/91/61/344989161.db2.gz LUAYFGPZQWMVRT-YFKPBYRVSA-N 1 0 202.235 1.039 10 5 BDBERO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327557 345770684 /nfs/dbraw/zinc/77/06/84/345770684.db2.gz WPFIYKTURMKEHX-CMPLNLGQSA-N 1 0 249.314 1.621 10 5 BDBERO Cc1cc(N[C@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000390645561 259396195 /nfs/dbraw/zinc/39/61/95/259396195.db2.gz MEMUUVBVKNAXBQ-SSDOTTSWSA-N 1 0 227.239 1.801 10 5 BDBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])nc2)CCCC1 ZINC000594694817 348101039 /nfs/dbraw/zinc/10/10/39/348101039.db2.gz UNXYJEHLZRAXEK-UHFFFAOYSA-N 1 0 236.275 1.673 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000596032178 348427237 /nfs/dbraw/zinc/42/72/37/348427237.db2.gz IGBPSMMONZBRRD-VIFPVBQESA-N 1 0 223.276 1.923 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000596032201 348427364 /nfs/dbraw/zinc/42/73/64/348427364.db2.gz JAERPZKCHUPYSV-SSDOTTSWSA-N 1 0 227.239 1.754 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000596031776 348427382 /nfs/dbraw/zinc/42/73/82/348427382.db2.gz FTTDBYUKUHFQDN-SECBINFHSA-N 1 0 223.276 1.923 10 5 BDBERO Cc1nn(C[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000051890492 180390755 /nfs/dbraw/zinc/39/07/55/180390755.db2.gz XHTLCAFTSBMEHU-VIFPVBQESA-N 1 0 224.264 1.018 10 5 BDBERO Cc1cc(NCC[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000086003138 350852051 /nfs/dbraw/zinc/85/20/51/350852051.db2.gz JHWGDJOBPNURDW-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1cc(N(C)[C@@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000383001620 351162835 /nfs/dbraw/zinc/16/28/35/351162835.db2.gz UOMPLHLXOJVKON-QMMMGPOBSA-N 1 0 224.264 1.082 10 5 BDBERO [NH3+]Cc1ccc(Br)c([N+](=O)[O-])c1F ZINC000306985828 351403185 /nfs/dbraw/zinc/40/31/85/351403185.db2.gz WVYWVNTYNRXSMW-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH3+])n1 ZINC000420216879 192193074 /nfs/dbraw/zinc/19/30/74/192193074.db2.gz NGKDIGSRTQUEFI-ZETCQYMHSA-N 1 0 224.264 1.305 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1NC1=[NH+]CCN1 ZINC000675072233 538502488 /nfs/dbraw/zinc/50/24/88/538502488.db2.gz BBVCSBHUNUPENU-UHFFFAOYSA-N 1 0 224.195 1.105 10 5 BDBERO CN(c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384865842 356780679 /nfs/dbraw/zinc/78/06/79/356780679.db2.gz FGLZQFHBVCMMPF-UHFFFAOYSA-N 1 0 221.260 1.521 10 5 BDBERO CC(C)([NH3+])CNc1sccc1[N+](=O)[O-] ZINC000306208321 359284816 /nfs/dbraw/zinc/28/48/16/359284816.db2.gz LSVRGUJPSUBILY-UHFFFAOYSA-N 1 0 215.278 1.806 10 5 BDBERO [NH3+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000034979736 181355590 /nfs/dbraw/zinc/35/55/90/181355590.db2.gz DOHDRWAYVDQTIT-UHFFFAOYSA-N 1 0 229.623 1.145 10 5 BDBERO CC[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000387590480 368975759 /nfs/dbraw/zinc/97/57/59/368975759.db2.gz SLCLBIUTPXVLMA-SECBINFHSA-N 1 0 238.291 1.130 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])cc(Br)n1 ZINC000095763850 181478950 /nfs/dbraw/zinc/47/89/50/181478950.db2.gz HZCXHHYTUJRWIS-UHFFFAOYSA-N 1 0 232.037 1.211 10 5 BDBERO Cc1ccc2c(c1)n(O)c1ccc(N)cc1[n+]2=O ZINC000377722255 370988561 /nfs/dbraw/zinc/98/85/61/370988561.db2.gz OQAWQUYHZKDRSO-UHFFFAOYSA-N 1 0 242.258 1.837 10 5 BDBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000389702919 371159519 /nfs/dbraw/zinc/15/95/19/371159519.db2.gz KFXLICGGOPOAFA-RKDXNWHRSA-N 1 0 236.275 1.400 10 5 BDBERO C[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C[NH2+]1 ZINC000600955427 371714782 /nfs/dbraw/zinc/71/47/82/371714782.db2.gz MILLABYMUXCGIS-NKWVEPMBSA-N 1 0 242.304 1.604 10 5 BDBERO O=[N+]([O-])c1ccc(F)c(NC2CC[NH2+]CC2)c1 ZINC000038041163 182932806 /nfs/dbraw/zinc/93/28/06/182932806.db2.gz GRPOBKTZPYKOGW-UHFFFAOYSA-N 1 0 239.250 1.898 10 5 BDBERO O=[N+]([O-])c1ccccc1C[C@@H](O)C[NH2+]C1CC1 ZINC000071547022 182949233 /nfs/dbraw/zinc/94/92/33/182949233.db2.gz YHDDGCMSHDSRRI-LLVKDONJSA-N 1 0 236.271 1.250 10 5 BDBERO C[C@@H](C[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000235103861 384195591 /nfs/dbraw/zinc/19/55/91/384195591.db2.gz DREGOIFPISFRAT-LURJTMIESA-N 1 0 213.212 1.493 10 5 BDBERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000336676748 384251497 /nfs/dbraw/zinc/25/14/97/384251497.db2.gz PZPBCPOHCDXJCU-ZETCQYMHSA-N 1 0 227.239 1.741 10 5 BDBERO C[C@H](CC[NH3+])Nc1ccccc1[N+](=O)[O-] ZINC000336680188 384252053 /nfs/dbraw/zinc/25/20/53/384252053.db2.gz IWXVTAYSYLKHCX-MRVPVSSYSA-N 1 0 209.249 1.744 10 5 BDBERO [NH3+]CCc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000070569165 384581783 /nfs/dbraw/zinc/58/17/83/384581783.db2.gz XMYLWFYUZJEXOB-UHFFFAOYSA-N 1 0 205.217 1.577 10 5 BDBERO Cc1cc(N(C)CCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000310164737 384866223 /nfs/dbraw/zinc/86/62/23/384866223.db2.gz RJCNFNYQFMPAEM-UHFFFAOYSA-N 1 0 241.266 1.827 10 5 BDBERO CCOc1cc(NCCC[NH3+])ccc1[N+](=O)[O-] ZINC000111045284 385500050 /nfs/dbraw/zinc/50/00/50/385500050.db2.gz IRFKPOGTZZOUEV-UHFFFAOYSA-N 1 0 239.275 1.754 10 5 BDBERO [NH3+]CCC[C@@H]([NH3+])c1cc([O-])ccc1[N+](=O)[O-] ZINC000575438079 387113394 /nfs/dbraw/zinc/11/33/94/387113394.db2.gz CBCQZTUXJZQDTD-SECBINFHSA-N 1 0 225.248 1.039 10 5 BDBERO CCOc1ccc(C[NH3+])c(OCC)c1[N+](=O)[O-] ZINC000575721899 387445321 /nfs/dbraw/zinc/44/53/21/387445321.db2.gz ZFBNITBDBCXSOO-UHFFFAOYSA-N 1 0 240.259 1.851 10 5 BDBERO CCc1cc(OC)cc(C[NH3+])c1[N+](=O)[O-] ZINC000575726773 387463234 /nfs/dbraw/zinc/46/32/34/387463234.db2.gz XTEDRAMFWZOTPX-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO CN(c1ncccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000095070552 388758166 /nfs/dbraw/zinc/75/81/66/388758166.db2.gz ONSMWCODUBTYSW-VIFPVBQESA-N 1 0 236.275 1.178 10 5 BDBERO C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000400459738 533461427 /nfs/dbraw/zinc/46/14/27/533461427.db2.gz RCPXMGBBSYIJLG-MNOVXSKESA-N 1 0 249.314 1.682 10 5 BDBERO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000052783511 132229433 /nfs/dbraw/zinc/22/94/33/132229433.db2.gz AFVXJROFAWQVTB-QMMMGPOBSA-N 1 0 239.250 1.532 10 5 BDBERO [NH3+]C1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000036754885 132342534 /nfs/dbraw/zinc/34/25/34/132342534.db2.gz AVFBMGAVRXKJCE-UHFFFAOYSA-N 1 0 221.260 1.522 10 5 BDBERO CC(C)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000226780876 134368932 /nfs/dbraw/zinc/36/89/32/134368932.db2.gz GKDIWKQEAAWRBE-ZCFIWIBFSA-N 1 0 230.293 1.447 10 5 BDBERO CC(C)[NH2+]CCCOc1ncc([N+](=O)[O-])cn1 ZINC000051872352 167102452 /nfs/dbraw/zinc/10/24/52/167102452.db2.gz NTIVOPAICCJCCJ-UHFFFAOYSA-N 1 0 240.263 1.152 10 5 BDBERO CC[NH2+]C[C@@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000071531583 170119117 /nfs/dbraw/zinc/11/91/17/170119117.db2.gz ZCCUKNIOQKQBSW-NSHDSACASA-N 1 0 224.260 1.108 10 5 BDBERO CCOC(=O)C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000044195706 170233971 /nfs/dbraw/zinc/23/39/71/170233971.db2.gz PKEUKYSOLMJRJY-JTQLQIEISA-N 1 0 238.243 1.548 10 5 BDBERO C[N@@H+]1CC[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000037655379 173146861 /nfs/dbraw/zinc/14/68/61/173146861.db2.gz IREDZSGKNZXDKM-LLVKDONJSA-N 1 0 249.314 1.636 10 5 BDBERO C[NH2+]Cc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000051004564 173397309 /nfs/dbraw/zinc/39/73/09/173397309.db2.gz PGMCUYQLZMWFFY-UHFFFAOYSA-N 1 0 246.270 1.559 10 5 BDBERO C[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000054073310 173413644 /nfs/dbraw/zinc/41/36/44/173413644.db2.gz ZFCXXTKGXRUMFI-LURJTMIESA-N 1 0 241.222 1.280 10 5 BDBERO COc1ccc(CCCC[NH3+])cc1[N+](=O)[O-] ZINC000049819695 175089114 /nfs/dbraw/zinc/08/91/14/175089114.db2.gz QOPYTRWPPGZWPL-UHFFFAOYSA-N 1 0 224.260 1.885 10 5 BDBERO COc1cccc(N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000394464002 323032108 /nfs/dbraw/zinc/03/21/08/323032108.db2.gz XGJQZWOMBRVKPQ-HTQZYQBOSA-N 1 0 239.275 1.751 10 5 BDBERO Cc1nc(N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000124124940 323104717 /nfs/dbraw/zinc/10/47/17/323104717.db2.gz DZPRBABOVDRWRO-LURJTMIESA-N 1 0 210.237 1.057 10 5 BDBERO Cc1ccnc(N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000070062917 323164029 /nfs/dbraw/zinc/16/40/29/323164029.db2.gz LAUCMRYAKMEKRE-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO C[N+](C)(C)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000004654877 560199304 /nfs/dbraw/zinc/19/93/04/560199304.db2.gz IBHGKIRRPOVRFN-UHFFFAOYSA-N 1 0 231.275 1.313 10 5 in-vitro BDBERO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000116942507 589059341 /nfs/dbraw/zinc/05/93/41/589059341.db2.gz KURWOIZLNWWCDC-SNVBAGLBSA-N 1 0 235.287 1.701 10 5 BDBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000122815785 589634356 /nfs/dbraw/zinc/63/43/56/589634356.db2.gz RPHSYVAUYJFFMQ-UHFFFAOYSA-N 1 0 209.249 1.380 10 5 BDBERO C[NH2+][C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000129107107 591248723 /nfs/dbraw/zinc/24/87/23/591248723.db2.gz BLYKGGWVGVPQPA-QMMMGPOBSA-N 1 0 239.250 1.532 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)[NH3+])c1 ZINC000309214299 631969411 /nfs/dbraw/zinc/96/94/11/631969411.db2.gz UMTFBZLTFYCCFE-SECBINFHSA-N 1 0 223.276 1.687 10 5 BDBERO COc1cccc(N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000310241937 632711565 /nfs/dbraw/zinc/71/15/65/632711565.db2.gz BTEBYTRCROXWTC-QMMMGPOBSA-N 1 0 239.275 1.387 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)[NH3+])c1 ZINC000310304839 632716970 /nfs/dbraw/zinc/71/69/70/632716970.db2.gz RJDDVMHLHFCEQO-QMMMGPOBSA-N 1 0 239.275 1.387 10 5 BDBERO O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000058692962 640734827 /nfs/dbraw/zinc/73/48/27/640734827.db2.gz OSOOEVXAUKIPDZ-KWQFWETISA-N 1 0 219.244 1.145 10 5 BDBERO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000038844707 710723251 /nfs/dbraw/zinc/72/32/51/710723251.db2.gz ZKDWVPYZTDCGLP-MRVPVSSYSA-N 1 0 207.233 1.132 10 5 BDBERO Cc1ccc(Cn2cc(C[NH3+])nn2)cc1[N+](=O)[O-] ZINC000714048392 712477974 /nfs/dbraw/zinc/47/79/74/712477974.db2.gz JQQHMRGSMVRBLS-UHFFFAOYSA-N 1 0 247.258 1.002 10 5 BDBERO CC1(C)CN(c2ncccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000720824654 712867911 /nfs/dbraw/zinc/86/79/11/712867911.db2.gz GZARPCOIWBGJIS-SECBINFHSA-N 1 0 236.275 1.163 10 5 BDBERO CC1(C)CN(c2ncccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000720824658 712867916 /nfs/dbraw/zinc/86/79/16/712867916.db2.gz GZARPCOIWBGJIS-VIFPVBQESA-N 1 0 236.275 1.163 10 5 BDBERO C[N+](C)(C)CCOC(=O)C(Cl)(Cl)Cl ZINC000003628776 717096354 /nfs/dbraw/zinc/09/63/54/717096354.db2.gz UNNDXLLYHNVCNA-UHFFFAOYSA-N 1 0 249.545 1.606 10 5 BDBERO Cc1ccccc1C[N+]12CCN(CC1)CC2 ZINC000057938708 717131020 /nfs/dbraw/zinc/13/10/20/717131020.db2.gz NKDWHCMVXGEMIZ-UHFFFAOYSA-N 1 0 217.336 1.641 10 5 BDBERO CC(C)c1cccc(C[N+]23CCN(CC2)CC3)n1 ZINC000119616513 717150343 /nfs/dbraw/zinc/15/03/43/717150343.db2.gz FYJCXCGFLCZDEC-UHFFFAOYSA-N 1 0 246.378 1.851 10 5 BDBERO C(=C/c1ccccc1)\C[N+]12CCN(CC1)CC2 ZINC000123574516 717150668 /nfs/dbraw/zinc/15/06/68/717150668.db2.gz UFDQPDPDYLPFJQ-QPJJXVBHSA-N 1 0 229.347 1.846 10 5 BDBERO CCOc1cccc(NC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000135056097 343655552 /nfs/dbraw/zinc/65/55/52/343655552.db2.gz LJPAAXUKNDJXCO-UHFFFAOYSA-N 1 0 237.259 1.377 10 5 BDBERO O=[N+]([O-])c1cc(C[NH2+]CC2CC(O)C2)cs1 ZINC000084446479 344432048 /nfs/dbraw/zinc/43/20/48/344432048.db2.gz HZHSXSWFGHXJMK-UHFFFAOYSA-N 1 0 242.300 1.517 10 5 BDBERO Cc1ccnc(N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381591375 344524562 /nfs/dbraw/zinc/52/45/62/344524562.db2.gz LMVBEFSOQLGJSY-YUMQZZPRSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000235180331 344836057 /nfs/dbraw/zinc/83/60/57/344836057.db2.gz NEGJICMEBBMQLX-RXMQYKEDSA-N 1 0 230.655 1.402 10 5 BDBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000600963102 344860308 /nfs/dbraw/zinc/86/03/08/344860308.db2.gz RXIHVDPCVPAIRZ-CBAPKCEASA-N 1 0 239.250 1.660 10 5 BDBERO Cc1cnc(N2C[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000600963491 344948924 /nfs/dbraw/zinc/94/89/24/344948924.db2.gz WGNYUVSVSVQRJZ-BDAKNGLRSA-N 1 0 236.275 1.224 10 5 BDBERO C[NH+](C)CCCNc1cccc(N)c1[N+](=O)[O-] ZINC000128622919 349936712 /nfs/dbraw/zinc/93/67/12/349936712.db2.gz IAALUSSPKJYKTO-UHFFFAOYSA-N 1 0 238.291 1.541 10 5 BDBERO Cc1cccc(O[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000051783881 179174908 /nfs/dbraw/zinc/17/49/08/179174908.db2.gz PBKGGMHDRDYAEI-SECBINFHSA-N 1 0 222.244 1.644 10 5 BDBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000594692162 348100394 /nfs/dbraw/zinc/10/03/94/348100394.db2.gz MZYVXZBMBDOKML-UHFFFAOYSA-N 1 0 236.275 1.673 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000596031060 348426681 /nfs/dbraw/zinc/42/66/81/348426681.db2.gz UELOHBTWRGDULR-SSDOTTSWSA-N 1 0 227.239 1.754 10 5 BDBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000038051043 349299314 /nfs/dbraw/zinc/29/93/14/349299314.db2.gz UGPODYLUKJVYDJ-RKDXNWHRSA-N 1 0 236.275 1.672 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)[C@H](C)C[NH3+])c1 ZINC000383004243 351162811 /nfs/dbraw/zinc/16/28/11/351162811.db2.gz YOOAMAAEEAUXSS-SECBINFHSA-N 1 0 223.276 1.687 10 5 BDBERO [NH3+]Cc1c(F)cc([N+](=O)[O-])cc1Br ZINC000307169755 351544457 /nfs/dbraw/zinc/54/44/57/351544457.db2.gz ZAWDTCHBKZIZAS-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO [NH3+]C1(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000307499181 352626508 /nfs/dbraw/zinc/62/65/08/352626508.db2.gz LMUOMQOAMYYBIK-UHFFFAOYSA-N 1 0 213.624 1.591 10 5 BDBERO [NH3+]CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(F)F ZINC000383455402 353136896 /nfs/dbraw/zinc/13/68/96/353136896.db2.gz NEWWLCGCZFPSPL-SSDOTTSWSA-N 1 0 246.217 1.384 10 5 BDBERO CC(C)([NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040922009 188292671 /nfs/dbraw/zinc/29/26/71/188292671.db2.gz XTERQWSZEGJUJI-UHFFFAOYSA-N 1 0 223.232 1.271 10 5 BDBERO [NH3+]CCCc1cnn(-c2ccccc2[N+](=O)[O-])c1 ZINC000054679928 188300466 /nfs/dbraw/zinc/30/04/66/188300466.db2.gz KXWIIVWRKYMRDF-UHFFFAOYSA-N 1 0 246.270 1.672 10 5 BDBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000130597816 363426101 /nfs/dbraw/zinc/42/61/01/363426101.db2.gz JKOKJAVVLPYAJN-VIFPVBQESA-N 1 0 238.291 1.919 10 5 BDBERO NC(=[NH2+])COc1c(F)cccc1[N+](=O)[O-] ZINC000075881304 181186661 /nfs/dbraw/zinc/18/66/61/181186661.db2.gz GUFYVRZIDOFBIR-UHFFFAOYSA-N 1 0 213.168 1.049 10 5 BDBERO C[NH+](C)CCc1ccc([N+](=O)[O-])c(F)c1 ZINC000584594998 358251867 /nfs/dbraw/zinc/25/18/67/358251867.db2.gz MZXXBYXLELVRJW-UHFFFAOYSA-N 1 0 212.224 1.838 10 5 BDBERO O=[N+]([O-])c1cccc(CN2CCC2)c1F ZINC000306468605 360083245 /nfs/dbraw/zinc/08/32/45/360083245.db2.gz OCOSGUBSKCXDPU-UHFFFAOYSA-N 1 0 210.208 1.940 10 5 BDBERO [NH3+][C@H](CF)c1cc([N+](=O)[O-])ccc1F ZINC000238684338 361178945 /nfs/dbraw/zinc/17/89/45/361178945.db2.gz PWEKEESKUIQRQA-MRVPVSSYSA-N 1 0 202.160 1.703 10 5 BDBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000387400163 364659735 /nfs/dbraw/zinc/65/97/35/364659735.db2.gz ALCXFAIMUOWVPP-MRVPVSSYSA-N 1 0 224.264 1.400 10 5 BDBERO CC[NH2+][C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000387410152 364669766 /nfs/dbraw/zinc/66/97/66/364669766.db2.gz CLQGSJVSAVACME-MRVPVSSYSA-N 1 0 224.264 1.400 10 5 BDBERO [NH3+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037029733 181369483 /nfs/dbraw/zinc/36/94/83/181369483.db2.gz ZGPMBLSVYMTUAY-UHFFFAOYSA-N 1 0 243.650 1.536 10 5 BDBERO [NH3+]CCCOc1c(F)cccc1[N+](=O)[O-] ZINC000075880597 181385072 /nfs/dbraw/zinc/38/50/72/181385072.db2.gz NXVOCAUWTWAJNT-UHFFFAOYSA-N 1 0 214.196 1.462 10 5 BDBERO [NH3+]C[C@@H]1CC[C@@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000675060924 541464058 /nfs/dbraw/zinc/46/40/58/541464058.db2.gz RXPXBRIDPBZFFZ-ZJUUUORDSA-N 1 0 236.271 1.816 10 5 BDBERO C[NH+](C)CCCOc1ccc([N+](=O)[O-])cc1O ZINC000224323877 368366691 /nfs/dbraw/zinc/36/66/91/368366691.db2.gz WLGYLLKZJBISNM-UHFFFAOYSA-N 1 0 240.259 1.631 10 5 BDBERO COc1cc(C2=CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000114014083 370539265 /nfs/dbraw/zinc/53/92/65/370539265.db2.gz OXGIDQZERSLESF-UHFFFAOYSA-N 1 0 234.255 1.980 10 5 BDBERO O=[N+]([O-])c1ccc(NC2CC[NH2+]CC2)cn1 ZINC000020324565 371266934 /nfs/dbraw/zinc/26/69/34/371266934.db2.gz PAIOIRRLYXSEAG-UHFFFAOYSA-N 1 0 222.248 1.154 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1NC1C[NH2+]C1 ZINC000125759950 371395059 /nfs/dbraw/zinc/39/50/59/371395059.db2.gz YZSGNVWHPBZZEN-UHFFFAOYSA-N 1 0 207.233 1.287 10 5 BDBERO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[NH2+]1 ZINC000600954428 371713596 /nfs/dbraw/zinc/71/35/96/371713596.db2.gz BLBHUSNCBPELJC-DTWKUNHWSA-N 1 0 236.275 1.542 10 5 BDBERO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955685 371714774 /nfs/dbraw/zinc/71/47/74/371714774.db2.gz QNUSYNJLVMBPFB-BDAKNGLRSA-N 1 0 236.275 1.542 10 5 BDBERO CCN(CC[NH3+])c1c(F)cccc1[N+](=O)[O-] ZINC000304592768 371799201 /nfs/dbraw/zinc/79/92/01/371799201.db2.gz UMZWBTCJZBLTCW-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000037029549 182380621 /nfs/dbraw/zinc/38/06/21/182380621.db2.gz NDMKACHNJQLZCI-VIFPVBQESA-N 1 0 249.270 1.533 10 5 BDBERO CCOC(=O)C[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000044195710 170231122 /nfs/dbraw/zinc/23/11/22/170231122.db2.gz PKEUKYSOLMJRJY-SNVBAGLBSA-N 1 0 238.243 1.548 10 5 BDBERO C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083291876 384475117 /nfs/dbraw/zinc/47/51/17/384475117.db2.gz NBJDRZKPGXNVQI-YFKPBYRVSA-N 1 0 211.177 1.523 10 5 BDBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000320512204 384727646 /nfs/dbraw/zinc/72/76/46/384727646.db2.gz LKPVOMPISZQPSR-YUMQZZPRSA-N 1 0 224.264 1.528 10 5 BDBERO [NH3+]CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148419067 384927897 /nfs/dbraw/zinc/92/78/97/384927897.db2.gz ZNHHWWLJSUSIQJ-UHFFFAOYSA-N 1 0 230.655 1.404 10 5 BDBERO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000408348125 386167061 /nfs/dbraw/zinc/16/70/61/386167061.db2.gz ZCZTWFAOBRZSSA-RKDXNWHRSA-N 1 0 238.291 1.559 10 5 BDBERO CC[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000226780584 134368791 /nfs/dbraw/zinc/36/87/91/134368791.db2.gz VTAKFVLEUOPYPJ-RXMQYKEDSA-N 1 0 216.266 1.201 10 5 BDBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000260224618 135147318 /nfs/dbraw/zinc/14/73/18/135147318.db2.gz VLCATLLBMDTWFM-SSDOTTSWSA-N 1 0 210.237 1.139 10 5 BDBERO C[C@H]1[C@@H]([NH3+])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000261555822 135196257 /nfs/dbraw/zinc/19/62/57/135196257.db2.gz QCDLBHBDAAHISE-CBAPKCEASA-N 1 0 239.250 1.660 10 5 BDBERO C[C@H]1[C@H]([NH3+])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000261555823 135196325 /nfs/dbraw/zinc/19/63/25/135196325.db2.gz QCDLBHBDAAHISE-IONNQARKSA-N 1 0 239.250 1.660 10 5 BDBERO CC[C@H]([NH3+])CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000091550077 135563841 /nfs/dbraw/zinc/56/38/41/135563841.db2.gz RQCWQOJZMPVFJR-QMMMGPOBSA-N 1 0 241.295 1.269 10 5 BDBERO C[NH+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351353 172493014 /nfs/dbraw/zinc/49/30/14/172493014.db2.gz LNCNTBRWAVYSIP-JTQLQIEISA-N 1 0 210.233 1.190 10 5 BDBERO C[NH2+]CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429196 173357182 /nfs/dbraw/zinc/35/71/82/173357182.db2.gz BQPIYUGOZPTZBM-UHFFFAOYSA-N 1 0 229.667 1.880 10 5 BDBERO C[NH2+]C[C@H](C)OCCc1ccc([N+](=O)[O-])cc1 ZINC000051842721 173376323 /nfs/dbraw/zinc/37/63/23/173376323.db2.gz WMMIKKCRJSSCOI-JTQLQIEISA-N 1 0 238.287 1.762 10 5 BDBERO COCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061002492 174336235 /nfs/dbraw/zinc/33/62/35/174336235.db2.gz QCJBAZSJCODGCH-UHFFFAOYSA-N 1 0 244.678 1.984 10 5 BDBERO C[C@@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000336677024 175664400 /nfs/dbraw/zinc/66/44/00/175664400.db2.gz VVNJOOHOHNHSEI-ZETCQYMHSA-N 1 0 244.320 1.981 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1[C@@]1([NH3+])C[C@H](O)C1 ZINC000536959575 323971865 /nfs/dbraw/zinc/97/18/65/323971865.db2.gz KMEJFHSTIKSMNU-JGZJWPJOSA-N 1 0 222.244 1.212 10 5 BDBERO C[NH2+][C@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000261562863 536404871 /nfs/dbraw/zinc/40/48/71/536404871.db2.gz BRMHHOWYJUIDQF-MRVPVSSYSA-N 1 0 224.264 1.318 10 5 BDBERO Cc1cc([N+](=O)[O-])cc2c1O[C@H](C)[C@@H]2[NH3+] ZINC000757175673 586433113 /nfs/dbraw/zinc/43/31/13/586433113.db2.gz GEWQGRZNUROULR-MUWHJKNJSA-N 1 0 208.217 1.684 10 5 BDBERO [NH3+][C@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000129300426 591276082 /nfs/dbraw/zinc/27/60/82/591276082.db2.gz OJJCNBVXAUBLIC-SECBINFHSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+]C[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000131996681 591682072 /nfs/dbraw/zinc/68/20/72/591682072.db2.gz JILOIVIXFOQKOL-MRVPVSSYSA-N 1 0 239.250 1.661 10 5 BDBERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cc1 ZINC000216219853 592014938 /nfs/dbraw/zinc/01/49/38/592014938.db2.gz CVEZGTNMCPZCPU-VHSXEESVSA-N 1 0 235.287 1.768 10 5 BDBERO COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094772954 631580594 /nfs/dbraw/zinc/58/05/94/631580594.db2.gz PMLJUSTXIJHUJQ-QMMMGPOBSA-N 1 0 242.250 1.858 10 5 BDBERO Cc1cnc(N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000309441149 633077118 /nfs/dbraw/zinc/07/71/18/633077118.db2.gz OCGXXWXABIDOMN-MRVPVSSYSA-N 1 0 224.264 1.082 10 5 BDBERO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000053204702 634075992 /nfs/dbraw/zinc/07/59/92/634075992.db2.gz PVELDLKHSPUYOY-SNVBAGLBSA-N 1 0 235.287 1.783 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[NH2+]1 ZINC000053255400 634110224 /nfs/dbraw/zinc/11/02/24/634110224.db2.gz UWQXLRKECUDVCC-MRVPVSSYSA-N 1 0 239.250 1.898 10 5 BDBERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000311080142 638589530 /nfs/dbraw/zinc/58/95/30/638589530.db2.gz LTAKTVWZWYYMPI-JIMOISOXSA-N 1 0 247.298 1.768 10 5 BDBERO CN(CC[NH3+])c1c(F)cc([N+](=O)[O-])cc1F ZINC000234281913 642392810 /nfs/dbraw/zinc/39/28/10/642392810.db2.gz LFQBKDIYMYOBBC-UHFFFAOYSA-N 1 0 231.202 1.268 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000071311738 643122388 /nfs/dbraw/zinc/12/23/88/643122388.db2.gz JZZVRTKNFSAREH-SECBINFHSA-N 1 0 239.250 1.532 10 5 BDBERO CC[C@H]([NH3+])CNc1cccc(F)c1[N+](=O)[O-] ZINC000082579380 643345442 /nfs/dbraw/zinc/34/54/42/643345442.db2.gz SQSQXDZIELDIAS-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO CC(C)(CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083370122 643439582 /nfs/dbraw/zinc/43/95/82/643439582.db2.gz DUJAUDKDGCKGIA-UHFFFAOYSA-N 1 0 242.250 1.594 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH3+])C1 ZINC000050249622 643664061 /nfs/dbraw/zinc/66/40/61/643664061.db2.gz GHKOFQNSDBPJRU-SNVBAGLBSA-N 1 0 235.287 1.688 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH3+])C1 ZINC000050249624 643664872 /nfs/dbraw/zinc/66/48/72/643664872.db2.gz GHKOFQNSDBPJRU-JTQLQIEISA-N 1 0 235.287 1.688 10 5 BDBERO COC(=O)C[C@H]([NH3+])c1ccccc1[N+](=O)[O-] ZINC000095638302 644760000 /nfs/dbraw/zinc/76/00/00/644760000.db2.gz SJWDOSCKIYWKEW-QMMMGPOBSA-N 1 0 224.216 1.158 10 5 BDBERO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000050249469 711493468 /nfs/dbraw/zinc/49/34/68/711493468.db2.gz XJLPIULKPBNCRH-SECBINFHSA-N 1 0 221.260 1.380 10 5 BDBERO [NH3+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000044559423 711723162 /nfs/dbraw/zinc/72/31/62/711723162.db2.gz QFNOZTJRKHNCBS-LBPRGKRZSA-N 1 0 235.287 1.912 10 5 BDBERO C[C@H]1C[C@@H]([NH3+])CN1c1cccc(F)c1[N+](=O)[O-] ZINC000702637367 712057863 /nfs/dbraw/zinc/05/78/63/712057863.db2.gz KLGQUTCRCBKNIG-JGVFFNPUSA-N 1 0 239.250 1.660 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000715080910 712507292 /nfs/dbraw/zinc/50/72/92/712507292.db2.gz HRENRWUFBCXPOG-OCAPTIKFSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+]C1CC(CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000715085187 712507667 /nfs/dbraw/zinc/50/76/67/712507667.db2.gz FAAKYTVMWPIVMP-UHFFFAOYSA-N 1 0 222.248 1.139 10 5 BDBERO Cc1cc(NC[C@H]2C[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000715094398 712508178 /nfs/dbraw/zinc/50/81/78/712508178.db2.gz SFSCMMJJYJFBNH-KYZUINATSA-N 1 0 236.275 1.447 10 5 BDBERO C[N+](C)(C)CCOC(=O)N1CCCCC1 ZINC000001998358 717091317 /nfs/dbraw/zinc/09/13/17/717091317.db2.gz PFJMRLNWRQCZQD-UHFFFAOYSA-N 1 0 215.317 1.315 10 5 BDBERO Fc1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000057938627 717130471 /nfs/dbraw/zinc/13/04/71/717130471.db2.gz XZYNISJMIDDAQQ-UHFFFAOYSA-N 1 0 221.299 1.472 10 5 BDBERO COc1cc([N+](C)(C)C)nc(SC)n1 ZINC000071777364 717133196 /nfs/dbraw/zinc/13/31/96/717133196.db2.gz MQYVVOWSLQIYEF-UHFFFAOYSA-N 1 0 214.314 1.404 10 5 BDBERO [NH3+]CC[C@@H]1Cc2ccc([N+](=O)[O-])cc2O1 ZINC000685965423 538911928 /nfs/dbraw/zinc/91/19/28/538911928.db2.gz CXGQBEUQXRFHFD-SECBINFHSA-N 1 0 208.217 1.247 10 5 BDBERO [NH3+]Cc1cc(Br)c([N+](=O)[O-])cc1F ZINC000307402394 398163268 /nfs/dbraw/zinc/16/32/68/398163268.db2.gz BWTATPNSTKYWBN-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO Nc1[nH]cc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000031891169 398166657 /nfs/dbraw/zinc/16/66/57/398166657.db2.gz VMJSWJARYYJDPV-UHFFFAOYSA-N 1 0 204.189 1.567 10 5 BDBERO Cc1cc(N(C)CC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000336652592 178099585 /nfs/dbraw/zinc/09/95/85/178099585.db2.gz IOWZKZNMJBGQPB-UHFFFAOYSA-N 1 0 227.239 1.437 10 5 BDBERO Cc1cc(NCCC[NH3+])ccc1[N+](=O)[O-] ZINC000035277217 178160573 /nfs/dbraw/zinc/16/05/73/178160573.db2.gz QWHVBLXXHRDZGG-UHFFFAOYSA-N 1 0 209.249 1.664 10 5 BDBERO CC[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000234028930 343059334 /nfs/dbraw/zinc/05/93/34/343059334.db2.gz GHTHUUVLWWDQHY-LURJTMIESA-N 1 0 244.682 1.792 10 5 BDBERO CCOc1cccc(NC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000135053210 343631657 /nfs/dbraw/zinc/63/16/57/343631657.db2.gz VMZZVEXMSJTCJM-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO CC[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C ZINC000082579258 133502687 /nfs/dbraw/zinc/50/26/87/133502687.db2.gz QLOCRRINNCBTCL-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)[NH3+])c1 ZINC000381348851 344496633 /nfs/dbraw/zinc/49/66/33/344496633.db2.gz HLRVPLNCOOPBEJ-JGVFFNPUSA-N 1 0 239.275 1.751 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H](C)[NH3+] ZINC000381620257 344526756 /nfs/dbraw/zinc/52/67/56/344526756.db2.gz RNFJBUHDPKBXDR-YUMQZZPRSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H](C)[NH3+] ZINC000381620253 344526940 /nfs/dbraw/zinc/52/69/40/344526940.db2.gz RNFJBUHDPKBXDR-HTQZYQBOSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000381690556 344535350 /nfs/dbraw/zinc/53/53/50/344535350.db2.gz FKMXCBXQDINAJA-RQJHMYQMSA-N 1 0 210.237 1.137 10 5 BDBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000600962297 344734425 /nfs/dbraw/zinc/73/44/25/344734425.db2.gz CZKXYORSWRBRIT-BDAKNGLRSA-N 1 0 221.260 1.521 10 5 BDBERO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCCCCC1 ZINC000408309695 345109980 /nfs/dbraw/zinc/10/99/80/345109980.db2.gz OMNOSYNINUVDOL-UHFFFAOYSA-N 1 0 238.291 1.704 10 5 BDBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000382439051 346182717 /nfs/dbraw/zinc/18/27/17/346182717.db2.gz YOSJOTBUEXGTCC-RNFRBKRXSA-N 1 0 242.304 1.591 10 5 BDBERO Cc1cccc(OC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000054931715 179162808 /nfs/dbraw/zinc/16/28/08/179162808.db2.gz KZUQFHHHBSLQNZ-UHFFFAOYSA-N 1 0 208.217 1.254 10 5 BDBERO C[C@@H]([NH3+])CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000111302675 347415648 /nfs/dbraw/zinc/41/56/48/347415648.db2.gz PTAIXKMRNYXNAV-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO [NH3+]C1(CNc2ncc([N+](=O)[O-])s2)CCCC1 ZINC000594695077 348101247 /nfs/dbraw/zinc/10/12/47/348101247.db2.gz ZKJVYSVVRXTRKZ-UHFFFAOYSA-N 1 0 242.304 1.735 10 5 BDBERO Cc1nc(NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000124134447 180018946 /nfs/dbraw/zinc/01/89/46/180018946.db2.gz QDCFRWFNMLWZFA-VIFPVBQESA-N 1 0 238.291 1.693 10 5 BDBERO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382416912 350600186 /nfs/dbraw/zinc/60/01/86/350600186.db2.gz HTYOCNLEMBOQAQ-RKDXNWHRSA-N 1 0 236.275 1.672 10 5 BDBERO C[C@H]([NH3+])CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000063171400 351269549 /nfs/dbraw/zinc/26/95/49/351269549.db2.gz GOMKXDVWWBQFJR-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1F ZINC000063171615 351269797 /nfs/dbraw/zinc/26/97/97/351269797.db2.gz KEROXIALKCWLCE-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2N1CC[NH2+]CC1 ZINC000725270817 538102802 /nfs/dbraw/zinc/10/28/02/538102802.db2.gz FDJAPYWDVALBNR-LBPRGKRZSA-N 1 0 247.298 1.487 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[NH3+] ZINC000420212850 192176377 /nfs/dbraw/zinc/17/63/77/192176377.db2.gz GXTVVYQRBWCRDT-ZETCQYMHSA-N 1 0 241.295 1.126 10 5 BDBERO COc1ccc(C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000071424346 188287375 /nfs/dbraw/zinc/28/73/75/188287375.db2.gz GSCQRWZQMOKGMF-ZETCQYMHSA-N 1 0 210.233 1.493 10 5 BDBERO CCCC[C@@H](C[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000130546713 363240484 /nfs/dbraw/zinc/24/04/84/363240484.db2.gz CHDFXECLAQUTSG-VIFPVBQESA-N 1 0 238.291 1.919 10 5 BDBERO Cc1cc(C2([NH3+])CC(O)C2)ccc1[N+](=O)[O-] ZINC000675058756 538482374 /nfs/dbraw/zinc/48/23/74/538482374.db2.gz WNRPXYDISMVVKA-UHFFFAOYSA-N 1 0 222.244 1.212 10 5 BDBERO C[C@@H]([NH3+])[C@H]1COc2ccc([N+](=O)[O-])cc2C1 ZINC000675063883 538490869 /nfs/dbraw/zinc/49/08/69/538490869.db2.gz RSQKJZIXXSPXRW-VXNVDRBHSA-N 1 0 222.244 1.493 10 5 BDBERO C[C@@H]([NH3+])[C@@H]1COc2ccc([N+](=O)[O-])cc2C1 ZINC000675063882 538490883 /nfs/dbraw/zinc/49/08/83/538490883.db2.gz RSQKJZIXXSPXRW-APPZFPTMSA-N 1 0 222.244 1.493 10 5 BDBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389694996 356861279 /nfs/dbraw/zinc/86/12/79/356861279.db2.gz CGBXAVNBYRBUOB-WPRPVWTQSA-N 1 0 236.275 1.400 10 5 BDBERO Cc1cnc(N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381576353 357514011 /nfs/dbraw/zinc/51/40/11/357514011.db2.gz IPZVQZYWFHKYOW-HTQZYQBOSA-N 1 0 224.264 1.446 10 5 BDBERO CC[C@@H]([NH3+])CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772184 360317108 /nfs/dbraw/zinc/31/71/08/360317108.db2.gz DYUYGXXBSDQSSK-SSDOTTSWSA-N 1 0 249.274 1.620 10 5 BDBERO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000404695110 360639983 /nfs/dbraw/zinc/63/99/83/360639983.db2.gz VLJRWUJLIAGWIZ-UHFFFAOYSA-N 1 0 236.275 1.531 10 5 BDBERO [NH3+]CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037029776 181369192 /nfs/dbraw/zinc/36/91/92/181369192.db2.gz NEMPIKXQALFWQU-UHFFFAOYSA-N 1 0 227.195 1.021 10 5 BDBERO [NH3+][C@@H]1CCCc2ccc([N+](=O)[O-])cc2[C@@H]1O ZINC000019795595 181586066 /nfs/dbraw/zinc/58/60/66/181586066.db2.gz SKAPZXGDWMYAFQ-MNOVXSKESA-N 1 0 222.244 1.292 10 5 BDBERO CC[C@@H]([NH3+])CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000155924491 371317621 /nfs/dbraw/zinc/31/76/21/371317621.db2.gz UMJQLJICTPFRBF-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C[NH3+] ZINC000600962030 371716632 /nfs/dbraw/zinc/71/66/32/371716632.db2.gz SZYLPWCJJONHIY-DTWKUNHWSA-N 1 0 236.275 1.021 10 5 BDBERO Cc1cc(N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000227749883 371928884 /nfs/dbraw/zinc/92/88/84/371928884.db2.gz HXVZUVKWGABHHU-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO O=[N+]([O-])c1cccc(C[C@H]2CC[NH2+]C2)c1 ZINC000215635503 182945366 /nfs/dbraw/zinc/94/53/66/182945366.db2.gz UGPOBBGMXDHOGL-SNVBAGLBSA-N 1 0 206.245 1.747 10 5 BDBERO Cc1c(Cn2cc(C[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000050224519 383977626 /nfs/dbraw/zinc/97/76/26/383977626.db2.gz ABRCXUPLWFNHFB-UHFFFAOYSA-N 1 0 247.258 1.002 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000309391788 384013587 /nfs/dbraw/zinc/01/35/87/384013587.db2.gz BZXBUHBWRFUCMA-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO C[C@@H](C[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235103702 384195856 /nfs/dbraw/zinc/19/58/56/384195856.db2.gz DATNCWPXXHKNQK-YFKPBYRVSA-N 1 0 231.202 1.632 10 5 BDBERO C[C@H](C[NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000336673880 384248400 /nfs/dbraw/zinc/24/84/00/384248400.db2.gz OVLFRRCVBODZIJ-SSDOTTSWSA-N 1 0 227.239 1.741 10 5 BDBERO C[C@@H](CCCC[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000336671467 384248829 /nfs/dbraw/zinc/24/88/29/384248829.db2.gz BBQPMSDPBGXGSM-QMMMGPOBSA-N 1 0 241.295 1.258 10 5 BDBERO O=[N+]([O-])c1cccnc1S[C@H]1CC[NH2+]C1 ZINC000095091903 384842157 /nfs/dbraw/zinc/84/21/57/384842157.db2.gz SNIGNBXVZSZZJQ-ZETCQYMHSA-N 1 0 225.273 1.444 10 5 BDBERO C[C@H](CCCC[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000310459913 385074647 /nfs/dbraw/zinc/07/46/47/385074647.db2.gz XPYLZRNOCTZZOB-SECBINFHSA-N 1 0 238.291 1.919 10 5 BDBERO Cc1cnc(N[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000085427024 385176129 /nfs/dbraw/zinc/17/61/29/385176129.db2.gz NXUAUFBQWHTIBA-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000111830597 386252582 /nfs/dbraw/zinc/25/25/82/386252582.db2.gz CNCWWZGZBZHRNV-JTQLQIEISA-N 1 0 238.291 1.775 10 5 BDBERO [NH3+]CCC[C@@H]([NH3+])c1cc(F)ccc1[N+](=O)[O-] ZINC000575438970 387122006 /nfs/dbraw/zinc/12/20/06/387122006.db2.gz NZCKHIZFGLNZDC-SECBINFHSA-N 1 0 227.239 1.473 10 5 BDBERO CCc1c(C[NH3+])c(OC)ccc1[N+](=O)[O-] ZINC000575724864 387461953 /nfs/dbraw/zinc/46/19/53/387461953.db2.gz FGFZEUVZFFEFRL-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO Cc1cc(N[C@@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000086003222 387512511 /nfs/dbraw/zinc/51/25/11/387512511.db2.gz NYDCHRFQXBJJDX-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO CN(C[C@H]1CC[NH2+]C1)c1ncccc1[N+](=O)[O-] ZINC000095071229 388590810 /nfs/dbraw/zinc/59/08/10/388590810.db2.gz YCJRMNWTOJYJLM-VIFPVBQESA-N 1 0 236.275 1.036 10 5 BDBERO [NH3+]CCC[C@H]([NH3+])c1cc([N+](=O)[O-])ccc1F ZINC000575439785 388630337 /nfs/dbraw/zinc/63/03/37/388630337.db2.gz YHBGUIVRDXWSOA-JTQLQIEISA-N 1 0 227.239 1.473 10 5 BDBERO [NH3+][C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000041030317 132223777 /nfs/dbraw/zinc/22/37/77/132223777.db2.gz GJTHDTRLNAXGPB-QMMMGPOBSA-N 1 0 239.250 1.661 10 5 BDBERO [NH3+]CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000044249557 132354111 /nfs/dbraw/zinc/35/41/11/132354111.db2.gz MXORDCAJMCDXKL-UHFFFAOYSA-N 1 0 236.275 1.165 10 5 BDBERO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000053711583 132363468 /nfs/dbraw/zinc/36/34/68/132363468.db2.gz QYZRCXAAGFLWQR-RKDXNWHRSA-N 1 0 236.275 1.176 10 5 BDBERO CC[C@@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000086003236 134577847 /nfs/dbraw/zinc/57/78/47/134577847.db2.gz UERFUFUCPVPYFM-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1nn(C)c(NC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000070463563 134918987 /nfs/dbraw/zinc/91/89/87/134918987.db2.gz KCTKWCAHABGWCX-MRVPVSSYSA-N 1 0 241.295 1.032 10 5 BDBERO Cc1ccnc(NCCC[NH3+])c1[N+](=O)[O-] ZINC000070062588 134974405 /nfs/dbraw/zinc/97/44/05/134974405.db2.gz GRVQJNIVBJPYIR-UHFFFAOYSA-N 1 0 210.237 1.059 10 5 BDBERO CN(c1ccncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000104364085 172952567 /nfs/dbraw/zinc/95/25/67/172952567.db2.gz VJQRVPPRXHNEOF-SECBINFHSA-N 1 0 236.275 1.178 10 5 BDBERO C[NH2+]CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000069802655 173353597 /nfs/dbraw/zinc/35/35/97/173353597.db2.gz LQHZDTFBBLNJFS-UHFFFAOYSA-N 1 0 227.239 1.390 10 5 BDBERO C[NH2+]C[C@H]1C[C@@H]1c1csc([N+](=O)[O-])c1 ZINC000054589011 173382652 /nfs/dbraw/zinc/38/26/52/173382652.db2.gz LBPPHVPSKOFKFC-SVRRBLITSA-N 1 0 212.274 1.979 10 5 BDBERO C[NH2+]Cc1cnn(-c2ccccc2[N+](=O)[O-])c1C ZINC000042355666 173393514 /nfs/dbraw/zinc/39/35/14/173393514.db2.gz DTBDTMLTFCBKSD-UHFFFAOYSA-N 1 0 246.270 1.808 10 5 BDBERO COc1ccc(OCCC(N)=[NH2+])c([N+](=O)[O-])c1 ZINC000038081308 175171696 /nfs/dbraw/zinc/17/16/96/175171696.db2.gz RRJSZRZSSDDRBW-UHFFFAOYSA-N 1 0 239.231 1.308 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1[C@@H]1CC[NH2+]C1 ZINC000090548039 175200734 /nfs/dbraw/zinc/20/07/34/175200734.db2.gz YVIRXUDINPAEQQ-MRVPVSSYSA-N 1 0 222.244 1.680 10 5 BDBERO C[C@H](CCCC[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000336671456 176619417 /nfs/dbraw/zinc/61/94/17/176619417.db2.gz BBQPMSDPBGXGSM-MRVPVSSYSA-N 1 0 241.295 1.258 10 5 BDBERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000336704361 176658968 /nfs/dbraw/zinc/65/89/68/176658968.db2.gz QQLCBLMJVMQMBA-MRVPVSSYSA-N 1 0 209.249 1.602 10 5 BDBERO C[C@H](C[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000111302789 323158526 /nfs/dbraw/zinc/15/85/26/323158526.db2.gz RKLMKFUFQVKNPL-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO CC[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]1[NH3+] ZINC000757176062 582552201 /nfs/dbraw/zinc/55/22/01/582552201.db2.gz YRGXYMHMGGWGLC-PSASIEDQSA-N 1 0 208.217 1.766 10 5 BDBERO [NH3+]C[C@@H]1CC(=O)Nc2c(F)cc([N+](=O)[O-])cc21 ZINC000757175468 582552580 /nfs/dbraw/zinc/55/25/80/582552580.db2.gz HVIDKWLEMLCRRF-YFKPBYRVSA-N 1 0 239.206 1.118 10 5 BDBERO [NH3+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000132020684 591683706 /nfs/dbraw/zinc/68/37/06/591683706.db2.gz NTNMNPXOOJUJCZ-VIFPVBQESA-N 1 0 239.250 1.661 10 5 BDBERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cc1 ZINC000216219947 592014518 /nfs/dbraw/zinc/01/45/18/592014518.db2.gz CVEZGTNMCPZCPU-UWVGGRQHSA-N 1 0 235.287 1.768 10 5 BDBERO C[C@H](C[NH3+])c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054158808 635776325 /nfs/dbraw/zinc/77/63/25/635776325.db2.gz IDVAKMHEGYODDL-SSDOTTSWSA-N 1 0 248.242 1.707 10 5 BDBERO C[C@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])cc1F ZINC000309179128 632686470 /nfs/dbraw/zinc/68/64/70/632686470.db2.gz BONRXEWUYJKUIR-ZETCQYMHSA-N 1 0 227.239 1.517 10 5 BDBERO CCN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[NH2+]C1 ZINC000071314350 643665815 /nfs/dbraw/zinc/66/58/15/643665815.db2.gz OPXMOTKGAKLOOU-SNVBAGLBSA-N 1 0 236.275 1.178 10 5 BDBERO [NH3+][C@H](CCO)c1cc(F)ccc1[N+](=O)[O-] ZINC000095638652 644761719 /nfs/dbraw/zinc/76/17/19/644761719.db2.gz GUNJVRHOVRFTHO-MRVPVSSYSA-N 1 0 214.196 1.116 10 5 BDBERO Cc1ccc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244219 711591084 /nfs/dbraw/zinc/59/10/84/711591084.db2.gz VPIBBTCLUPZXQX-SECBINFHSA-N 1 0 221.260 1.441 10 5 BDBERO Cc1ccnc(N[C@@H]2C[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000721862913 711791832 /nfs/dbraw/zinc/79/18/32/711791832.db2.gz QNYXLRBKZFWKTB-RKDXNWHRSA-N 1 0 236.275 1.318 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@H]1C ZINC000721863406 711791997 /nfs/dbraw/zinc/79/19/97/711791997.db2.gz QWHIBFIYPUCPIF-PSASIEDQSA-N 1 0 236.275 1.318 10 5 BDBERO CC1(C)C[NH2+]C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000721862277 711792013 /nfs/dbraw/zinc/79/20/13/711792013.db2.gz FSVOFDNERJAJLH-SECBINFHSA-N 1 0 236.275 1.400 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715082951 712507197 /nfs/dbraw/zinc/50/71/97/712507197.db2.gz UVRGRKMTCQPXRX-DTORHVGOSA-N 1 0 236.275 1.447 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000715080965 712507211 /nfs/dbraw/zinc/50/72/11/712507211.db2.gz INFBCHDZEKWXEL-OTSSQURYSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+]C1CC(CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000715113104 712509842 /nfs/dbraw/zinc/50/98/42/712509842.db2.gz ANQVKVAKFAMGAU-UHFFFAOYSA-N 1 0 249.270 1.062 10 5 BDBERO C[N+](C)(C)CCOC(=O)c1ccccc1N ZINC000003620967 717096316 /nfs/dbraw/zinc/09/63/16/717096316.db2.gz UCKZDQSDTGXGFM-UHFFFAOYSA-O 1 0 223.296 1.132 10 5 BDBERO Fc1ccc(C[N+]23CCN(CC2)CC3)c(F)c1 ZINC000084727347 717135801 /nfs/dbraw/zinc/13/58/01/717135801.db2.gz PQTIAQRWKJFVAT-UHFFFAOYSA-N 1 0 239.289 1.611 10 5 BDBERO Fc1ccc(C[N+]23CCN(CC2)CC3)cc1F ZINC000117943427 717150072 /nfs/dbraw/zinc/15/00/72/717150072.db2.gz ZPEDDVAAEOVBLJ-UHFFFAOYSA-N 1 0 239.289 1.611 10 5 BDBERO Cc1cc(N[C@H](C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000336697984 178185958 /nfs/dbraw/zinc/18/59/58/178185958.db2.gz JBAJUOVUEXRMJE-SECBINFHSA-N 1 0 238.291 1.838 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1OC[C@@H]1CC[NH2+]C1 ZINC000052813531 178275484 /nfs/dbraw/zinc/27/54/84/178275484.db2.gz KPADDJNGHAVOEY-SECBINFHSA-N 1 0 237.259 1.287 10 5 BDBERO Cc1cccc(NC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000235931339 343067435 /nfs/dbraw/zinc/06/74/35/343067435.db2.gz DDIUWJFFCUUKEY-UHFFFAOYSA-N 1 0 207.233 1.287 10 5 BDBERO O=[N+]([O-])c1cnc(NC2C[NH2+]C2)c(Cl)c1 ZINC000236051133 343074997 /nfs/dbraw/zinc/07/49/97/343074997.db2.gz IFCDLJCSJAFZNF-UHFFFAOYSA-N 1 0 228.639 1.027 10 5 BDBERO COc1cc(NCCC[NH3+])c([N+](=O)[O-])cc1C ZINC000310248989 343401420 /nfs/dbraw/zinc/40/14/20/343401420.db2.gz DEBNMPZBENYARJ-UHFFFAOYSA-N 1 0 239.275 1.673 10 5 BDBERO CCN(CC[NH3+])c1cc(C)c([N+](=O)[O-])cc1F ZINC000310547236 343529549 /nfs/dbraw/zinc/52/95/49/343529549.db2.gz SSBQGTYMDGFUCD-UHFFFAOYSA-N 1 0 241.266 1.827 10 5 BDBERO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000071148238 343623666 /nfs/dbraw/zinc/62/36/66/343623666.db2.gz QESQPSGFPTTWPS-NSHDSACASA-N 1 0 249.314 1.949 10 5 BDBERO [NH3+]Cc1ccc(OC(F)(F)F)nc1[N+](=O)[O-] ZINC000309236457 346999536 /nfs/dbraw/zinc/99/95/36/346999536.db2.gz BTOJHKPLLONQOA-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO C[C@H]([NH3+])Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000396134817 344611831 /nfs/dbraw/zinc/61/18/31/344611831.db2.gz FUPQOLQFACFIRK-ZETCQYMHSA-N 1 0 219.244 1.966 10 5 BDBERO [NH3+][C@H](CF)c1ccc(F)c([N+](=O)[O-])c1 ZINC000238684928 345108959 /nfs/dbraw/zinc/10/89/59/345108959.db2.gz GSFFGYRHVPZVOA-SSDOTTSWSA-N 1 0 202.160 1.703 10 5 BDBERO CC[C@@H]([NH3+])CNc1nccc(C)c1[N+](=O)[O-] ZINC000070062919 345321834 /nfs/dbraw/zinc/32/18/34/345321834.db2.gz WAEZBQSMFPUBRD-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000378680865 345454665 /nfs/dbraw/zinc/45/46/65/345454665.db2.gz VZOXATPHPXBYNQ-GXSJLCMTSA-N 1 0 222.244 1.065 10 5 BDBERO C[NH2+]C[C@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000596031840 348427267 /nfs/dbraw/zinc/42/72/67/348427267.db2.gz HEZNNKWWLKBQIK-VIFPVBQESA-N 1 0 223.276 1.923 10 5 BDBERO [NH3+][C@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000038051041 349298620 /nfs/dbraw/zinc/29/86/20/349298620.db2.gz UGPODYLUKJVYDJ-DTWKUNHWSA-N 1 0 236.275 1.672 10 5 BDBERO Cc1cc(NC[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000086003219 350852848 /nfs/dbraw/zinc/85/28/48/350852848.db2.gz NQCFUMFZIVBOBD-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1 ZINC000063171527 351269862 /nfs/dbraw/zinc/26/98/62/351269862.db2.gz UNMFTNMFOAKBSV-MRVPVSSYSA-N 1 0 209.249 1.744 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])c(F)cc1Br ZINC000307041706 351443666 /nfs/dbraw/zinc/44/36/66/351443666.db2.gz PTRICMFIJISXEC-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO COc1cc(NC2C[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000090289375 363032404 /nfs/dbraw/zinc/03/24/04/363032404.db2.gz XRVPNZHURSHXNN-UHFFFAOYSA-N 1 0 241.222 1.126 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])cc(Br)c1F ZINC000307141054 351500021 /nfs/dbraw/zinc/50/00/21/351500021.db2.gz CWSGBCWABDTTSX-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)C[NH3+] ZINC000420212846 192176181 /nfs/dbraw/zinc/17/61/81/192176181.db2.gz GXTVVYQRBWCRDT-SSDOTTSWSA-N 1 0 241.295 1.126 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)C[NH3+] ZINC000420222407 192176946 /nfs/dbraw/zinc/17/69/46/192176946.db2.gz WOGXNVFBHKKSDB-ZETCQYMHSA-N 1 0 241.295 1.126 10 5 BDBERO COc1cc(NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000420216133 192177326 /nfs/dbraw/zinc/17/73/26/192177326.db2.gz LVGYDIQFGQHRJL-MRVPVSSYSA-N 1 0 239.275 1.610 10 5 BDBERO CC(C)(CO)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726275 188303063 /nfs/dbraw/zinc/30/30/63/188303063.db2.gz CTTRVXACECPNMN-UHFFFAOYSA-N 1 0 238.287 1.498 10 5 BDBERO O=[N+]([O-])c1ccc(SC[C@H]2CCC[NH2+]2)nc1 ZINC000095091976 188318812 /nfs/dbraw/zinc/31/88/12/188318812.db2.gz WXFXEXPCWWEURO-MRVPVSSYSA-N 1 0 239.300 1.834 10 5 BDBERO CC(C)C[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC000111830697 188358312 /nfs/dbraw/zinc/35/83/12/188358312.db2.gz XRHYTQPJYUBXPE-QMMMGPOBSA-N 1 0 239.279 1.170 10 5 BDBERO Cc1cc(N(C)C2CC([NH3+])C2)ncc1[N+](=O)[O-] ZINC000384746878 356737266 /nfs/dbraw/zinc/73/72/66/356737266.db2.gz NEFNAXGBHKDFGR-UHFFFAOYSA-N 1 0 236.275 1.224 10 5 BDBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000389707893 356906047 /nfs/dbraw/zinc/90/60/47/356906047.db2.gz PYUMRJRWPJFHTB-WPRPVWTQSA-N 1 0 236.275 1.400 10 5 BDBERO [NH3+]C/C=C(/F)COc1ccc([N+](=O)[O-])cc1 ZINC000084653618 181324255 /nfs/dbraw/zinc/32/42/55/181324255.db2.gz MSNNEDUAEIXZDU-VMPITWQZSA-N 1 0 226.207 1.786 10 5 BDBERO O=[N+]([O-])c1cccc(COC2CC[NH2+]CC2)c1 ZINC000036963164 361584342 /nfs/dbraw/zinc/58/43/42/361584342.db2.gz COJBZDQKWYWBLE-UHFFFAOYSA-N 1 0 236.271 1.863 10 5 BDBERO [NH3+]CCCc1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC000050283698 181388211 /nfs/dbraw/zinc/38/82/11/181388211.db2.gz BRMQKIAKMGNPIC-UHFFFAOYSA-N 1 0 238.203 1.129 10 5 BDBERO CC[NH2+][C@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000387510832 368941296 /nfs/dbraw/zinc/94/12/96/368941296.db2.gz FOGQIWYPLINDMO-SECBINFHSA-N 1 0 238.291 1.708 10 5 BDBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCCC2)nc1 ZINC000116745329 368952647 /nfs/dbraw/zinc/95/26/47/368952647.db2.gz HNXPFOMADGEMMI-UHFFFAOYSA-N 1 0 237.259 1.464 10 5 BDBERO [NH3+]C[C@]1(CO)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000070500306 181469483 /nfs/dbraw/zinc/46/94/83/181469483.db2.gz VLMHURFSNRZKGD-QWRGUYRKSA-N 1 0 222.244 1.020 10 5 BDBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000389702918 371159352 /nfs/dbraw/zinc/15/93/52/371159352.db2.gz KFXLICGGOPOAFA-IUCAKERBSA-N 1 0 236.275 1.400 10 5 BDBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000038051065 181641996 /nfs/dbraw/zinc/64/19/96/181641996.db2.gz MEXHRFHXZDMPIZ-VHSXEESVSA-N 1 0 236.275 1.672 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000600956404 371713284 /nfs/dbraw/zinc/71/32/84/371713284.db2.gz CCXNVLMQFGUNMP-DTWKUNHWSA-N 1 0 221.260 1.757 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000600956772 371713303 /nfs/dbraw/zinc/71/33/03/371713303.db2.gz HCBYKWJIIADQHM-IONNQARKSA-N 1 0 222.248 1.152 10 5 BDBERO C[NH2+]CCOCCNc1ccccc1[N+](=O)[O-] ZINC000600952097 371713455 /nfs/dbraw/zinc/71/34/55/371713455.db2.gz QZXRWGHYWUWLCM-UHFFFAOYSA-N 1 0 239.275 1.243 10 5 BDBERO C[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C[NH2+]1 ZINC000600955863 371714554 /nfs/dbraw/zinc/71/45/54/371714554.db2.gz STPAQCXHXVWULH-BDAKNGLRSA-N 1 0 236.275 1.542 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000600957017 371714603 /nfs/dbraw/zinc/71/46/03/371714603.db2.gz JDRNLUSRZLOTJD-JGVFFNPUSA-N 1 0 222.248 1.152 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000600957891 371714952 /nfs/dbraw/zinc/71/49/52/371714952.db2.gz WTOCIGVVOCWPLS-IONNQARKSA-N 1 0 239.250 1.896 10 5 BDBERO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000067448419 372788415 /nfs/dbraw/zinc/78/84/15/372788415.db2.gz ZNHWZGPBDFKEOA-SECBINFHSA-N 1 0 236.275 1.130 10 5 BDBERO [NH3+]Cc1nccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000380976612 373700122 /nfs/dbraw/zinc/70/01/22/373700122.db2.gz HFUCGKLBZPFLOW-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO O=[N+]([O-])c1ccc(NCC[NH2+]C2CC2)c(F)c1 ZINC000054267792 182936327 /nfs/dbraw/zinc/93/63/27/182936327.db2.gz CTFHZMMQPCZTMB-UHFFFAOYSA-N 1 0 239.250 1.898 10 5 BDBERO CCC[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000098083880 169261719 /nfs/dbraw/zinc/26/17/19/169261719.db2.gz PEEXMDXCHYBNHW-UHFFFAOYSA-N 1 0 212.253 1.099 10 5 BDBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1 ZINC000336687241 385149664 /nfs/dbraw/zinc/14/96/64/385149664.db2.gz LIAXOCIODJEGNN-MRVPVSSYSA-N 1 0 209.249 1.744 10 5 BDBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000336649916 385596284 /nfs/dbraw/zinc/59/62/84/385596284.db2.gz HDRDIGKZQIFQTE-QMMMGPOBSA-N 1 0 224.264 1.529 10 5 BDBERO O=[N+]([O-])c1cccnc1OC[C@@H]1CCC[NH2+]1 ZINC000051866247 386054230 /nfs/dbraw/zinc/05/42/30/386054230.db2.gz CLZOPIAIFGLCLV-QMMMGPOBSA-N 1 0 223.232 1.121 10 5 BDBERO Cc1ccc(N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783383 132229151 /nfs/dbraw/zinc/22/91/51/132229151.db2.gz WABSJSLTGJWLHN-SNVBAGLBSA-N 1 0 235.287 1.701 10 5 BDBERO O=[N+]([O-])c1ccc(F)cc1N1CC[NH2+]CC1 ZINC000052099715 132361963 /nfs/dbraw/zinc/36/19/63/132361963.db2.gz XKVPLOIJPMUKRU-UHFFFAOYSA-N 1 0 225.223 1.144 10 5 BDBERO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000053712128 132363625 /nfs/dbraw/zinc/36/36/25/132363625.db2.gz WVMZIPGCPNDPFC-NXEZZACHSA-N 1 0 235.287 1.781 10 5 BDBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])nc1 ZINC000038043403 170112258 /nfs/dbraw/zinc/11/22/58/170112258.db2.gz OYSMCKYKGQUBOO-UHFFFAOYSA-N 1 0 224.264 1.401 10 5 BDBERO C[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000034979676 173333769 /nfs/dbraw/zinc/33/37/69/173333769.db2.gz QSLRGEGTBLZCGY-UHFFFAOYSA-N 1 0 243.650 1.406 10 5 BDBERO C[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000034979682 173334015 /nfs/dbraw/zinc/33/40/15/173334015.db2.gz HFWMRCQECVEFLC-UHFFFAOYSA-N 1 0 243.650 1.406 10 5 BDBERO C[NH2+]CCN(C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000336725435 173353453 /nfs/dbraw/zinc/35/34/53/173353453.db2.gz UZPXERUZWVSIRC-UHFFFAOYSA-N 1 0 241.266 1.698 10 5 BDBERO COCCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726249 174247484 /nfs/dbraw/zinc/24/74/84/174247484.db2.gz BPQLUIJVNTXCQU-UHFFFAOYSA-N 1 0 238.287 1.763 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000309392680 175673824 /nfs/dbraw/zinc/67/38/24/175673824.db2.gz CFWSIMWNYNVGDO-LURJTMIESA-N 1 0 244.682 1.792 10 5 BDBERO C[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000040456504 176751933 /nfs/dbraw/zinc/75/19/33/176751933.db2.gz BIMDCMIEUICVCI-YFKPBYRVSA-N 1 0 227.195 1.020 10 5 BDBERO CC(C)[NH2+]CCCNc1c([N+](=O)[O-])ncn1C ZINC000563661030 323134167 /nfs/dbraw/zinc/13/41/67/323134167.db2.gz NIDNCNRNQYPSDW-UHFFFAOYSA-N 1 0 241.295 1.128 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH3+] ZINC000125758286 324653174 /nfs/dbraw/zinc/65/31/74/324653174.db2.gz LWPUQBARCDSINU-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH3+] ZINC000082576253 325543070 /nfs/dbraw/zinc/54/30/70/325543070.db2.gz BIYZEYGIGUTQIG-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO [NH3+][C@@H]1CCCc2ccc([N+](=O)[O-])cc2C1 ZINC000757175820 586433222 /nfs/dbraw/zinc/43/32/22/586433222.db2.gz YVJUTQSVRGWOOX-SNVBAGLBSA-N 1 0 206.245 1.801 10 5 BDBERO CN(CCC[NH3+])c1cccc(F)c1[N+](=O)[O-] ZINC000227750240 632556321 /nfs/dbraw/zinc/55/63/21/632556321.db2.gz OPROVCRIOWBCAW-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO Cc1ccc(N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000054419577 636635701 /nfs/dbraw/zinc/63/57/01/636635701.db2.gz YIMHJUUKCMVQIX-UHFFFAOYSA-N 1 0 209.249 1.298 10 5 BDBERO [NH3+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000168988953 636653676 /nfs/dbraw/zinc/65/36/76/636653676.db2.gz IAEYJHDTJZOEDC-LLVKDONJSA-N 1 0 221.260 1.522 10 5 BDBERO [NH3+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000044559421 640437294 /nfs/dbraw/zinc/43/72/94/640437294.db2.gz QFNOZTJRKHNCBS-GFCCVEGCSA-N 1 0 235.287 1.912 10 5 BDBERO C[C@@H](C[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000082575992 643348002 /nfs/dbraw/zinc/34/80/02/643348002.db2.gz QHPXTLRDWTWEQU-LURJTMIESA-N 1 0 213.212 1.493 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000085258346 643706004 /nfs/dbraw/zinc/70/60/04/643706004.db2.gz VESABRPRRMSONI-UHFFFAOYSA-N 1 0 207.233 1.003 10 5 BDBERO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000038844706 711692323 /nfs/dbraw/zinc/69/23/23/711692323.db2.gz ZKDWVPYZTDCGLP-QMMMGPOBSA-N 1 0 207.233 1.132 10 5 BDBERO CC1(C)C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000721869224 711792758 /nfs/dbraw/zinc/79/27/58/711792758.db2.gz XFFLWTDYPLJXDU-SECBINFHSA-N 1 0 236.275 1.400 10 5 BDBERO C=Cc1ccccc1C[N+](C)(C)CCO ZINC000034064749 717124060 /nfs/dbraw/zinc/12/40/60/717124060.db2.gz MNYQYWNSCYKFTJ-UHFFFAOYSA-N 1 0 206.309 1.898 10 5 BDBERO Cc1nc(C[N+]23CCN(CC2)CC3)sc1C ZINC000086961264 717137327 /nfs/dbraw/zinc/13/73/27/717137327.db2.gz YBOBQVGQZIJJQR-UHFFFAOYSA-N 1 0 238.380 1.406 10 5 BDBERO Cc1csc(C[N+]23CCN(CC2)CC3)n1 ZINC000132526653 717150499 /nfs/dbraw/zinc/15/04/99/717150499.db2.gz IZSNPGYKVKYCJZ-UHFFFAOYSA-N 1 0 224.353 1.098 10 5 BDBERO [NH3+]CCc1cc2ccc([N+](=O)[O-])cc2o1 ZINC000685965864 538912551 /nfs/dbraw/zinc/91/25/51/538912551.db2.gz WRWSPZLGWQCBHC-UHFFFAOYSA-N 1 0 206.201 1.842 10 5 BDBERO Cc1cc(N(C)C2C[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000310129295 178097713 /nfs/dbraw/zinc/09/77/13/178097713.db2.gz HERUEYNFYKDRAM-UHFFFAOYSA-N 1 0 239.250 1.450 10 5 BDBERO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000310209167 178118894 /nfs/dbraw/zinc/11/88/94/178118894.db2.gz UMWIFJNEMOVNOA-KOLCDFICSA-N 1 0 235.287 1.829 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH3+] ZINC000336660174 178273302 /nfs/dbraw/zinc/27/33/02/178273302.db2.gz JMPOLNXKFQEFLI-QMMMGPOBSA-N 1 0 223.276 1.910 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CC[NH3+] ZINC000309445015 178275492 /nfs/dbraw/zinc/27/54/92/178275492.db2.gz MQYRNYLFUZYJSF-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO CC(=O)O[C@H]1CC[N+](C)(Cc2ccccc2)C1 ZINC000001569142 342703393 /nfs/dbraw/zinc/70/33/93/342703393.db2.gz PANOIMCJTIWCAF-MLCCFXAWSA-N 1 0 234.319 1.969 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)[NH3+] ZINC000394463841 342799722 /nfs/dbraw/zinc/79/97/22/342799722.db2.gz XEHVMCCZGVKORI-RQJHMYQMSA-N 1 0 241.295 1.267 10 5 BDBERO [NH3+]C[C@H]1C[C@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000536957012 343652396 /nfs/dbraw/zinc/65/23/96/343652396.db2.gz DQCAIBCECIHFTH-DTWKUNHWSA-N 1 0 222.244 1.426 10 5 BDBERO [NH3+]Cc1cc(OC(F)(F)F)cnc1[N+](=O)[O-] ZINC000309518095 343662377 /nfs/dbraw/zinc/66/23/77/343662377.db2.gz WJBHQXGGHLGLCD-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO COc1cc(N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381344195 344496995 /nfs/dbraw/zinc/49/69/95/344496995.db2.gz GBEBDQHHPLDGBZ-SFYZADRCSA-N 1 0 239.275 1.751 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381597771 344525480 /nfs/dbraw/zinc/52/54/80/344525480.db2.gz MQGMHHOMMPAISQ-SFYZADRCSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H](C)[NH3+] ZINC000381620254 344526818 /nfs/dbraw/zinc/52/68/18/344526818.db2.gz RNFJBUHDPKBXDR-JGVFFNPUSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1cccc(NC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000235179828 344836096 /nfs/dbraw/zinc/83/60/96/344836096.db2.gz BIKPYOJFRIXBGE-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1ccc(OCC[NH2+]C2CC2)c([N+](=O)[O-])n1 ZINC000050441120 178812077 /nfs/dbraw/zinc/81/20/77/178812077.db2.gz MSBHLEOFWZTFCJ-UHFFFAOYSA-N 1 0 237.259 1.429 10 5 BDBERO [NH3+][C@@H](CF)c1cc([N+](=O)[O-])ccc1F ZINC000238573265 345080552 /nfs/dbraw/zinc/08/05/52/345080552.db2.gz PWEKEESKUIQRQA-QMMMGPOBSA-N 1 0 202.160 1.703 10 5 BDBERO Cc1ccnc(NC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000070062914 345320995 /nfs/dbraw/zinc/32/09/95/345320995.db2.gz GZGDYHIOUCCLEL-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO [NH3+]C[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000382439050 346182638 /nfs/dbraw/zinc/18/26/38/346182638.db2.gz YOSJOTBUEXGTCC-NKWVEPMBSA-N 1 0 242.304 1.591 10 5 BDBERO C[C@H]([NH3+])CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000591437854 347660999 /nfs/dbraw/zinc/66/09/99/347660999.db2.gz PABPXZCYQRNJCT-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO CN(CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])nc1 ZINC000594692004 348099865 /nfs/dbraw/zinc/09/98/65/348099865.db2.gz JHAUOWIDAUNBPD-UHFFFAOYSA-N 1 0 224.264 1.163 10 5 BDBERO Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C[NH3+] ZINC000019514270 180329031 /nfs/dbraw/zinc/32/90/31/180329031.db2.gz ZWAKQKPYZPNDFU-UHFFFAOYSA-N 1 0 246.270 1.856 10 5 BDBERO Cc1nn(C2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000043501224 180385060 /nfs/dbraw/zinc/38/50/60/180385060.db2.gz UKDNUTOXQCPIEI-UHFFFAOYSA-N 1 0 224.264 1.333 10 5 BDBERO Cc1nn(C[C@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000043496242 180390602 /nfs/dbraw/zinc/39/06/02/180390602.db2.gz BOGGXGIQLPRVHQ-SECBINFHSA-N 1 0 224.264 1.160 10 5 BDBERO Cc1cc(N(C)[C@@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000382970074 351120209 /nfs/dbraw/zinc/12/02/09/351120209.db2.gz HNBBAKSVWBMPCB-QMMMGPOBSA-N 1 0 241.266 1.826 10 5 BDBERO C[C@@H](C[NH3+])N(C)c1ccccc1[N+](=O)[O-] ZINC000383024917 351166820 /nfs/dbraw/zinc/16/68/20/351166820.db2.gz XJBJELKKRFANBA-QMMMGPOBSA-N 1 0 209.249 1.378 10 5 BDBERO O=[N+]([O-])c1ccc(NC2C[NH2+]C2)c2ncccc12 ZINC000090289388 363032149 /nfs/dbraw/zinc/03/21/49/363032149.db2.gz BECYCLIKZPKAIK-UHFFFAOYSA-N 1 0 244.254 1.527 10 5 BDBERO CC(C)([NH3+])COCc1ccc([N+](=O)[O-])cc1 ZINC000074526265 188307657 /nfs/dbraw/zinc/30/76/57/188307657.db2.gz YONJWORKSCCWSR-UHFFFAOYSA-N 1 0 224.260 1.849 10 5 BDBERO C[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083346436 188295522 /nfs/dbraw/zinc/29/55/22/188295522.db2.gz JGFVSWOKEYHRRT-UHFFFAOYSA-N 1 0 211.177 1.222 10 5 BDBERO Cc1c(C=C2C[NH2+]C2)cncc1[N+](=O)[O-] ZINC000675056602 538478996 /nfs/dbraw/zinc/47/89/96/538478996.db2.gz TXYWYIXGBNQYQN-UHFFFAOYSA-N 1 0 205.217 1.285 10 5 BDBERO [NH3+][C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000306538296 360404353 /nfs/dbraw/zinc/40/43/53/360404353.db2.gz JOMMHCLKNZOZOB-ZCFIWIBFSA-N 1 0 213.262 1.194 10 5 BDBERO [NH3+]C1CC(Nc2cccc([N+](=O)[O-])c2)C1 ZINC000036268662 181340474 /nfs/dbraw/zinc/34/04/74/181340474.db2.gz BYUQAMAXCGKENP-UHFFFAOYSA-N 1 0 207.233 1.496 10 5 BDBERO [NH3+]CCCc1nnc(-c2ccccc2[N+](=O)[O-])[nH]1 ZINC000072236575 181387657 /nfs/dbraw/zinc/38/76/57/181387657.db2.gz HDKVUJPQLSLKPA-UHFFFAOYSA-N 1 0 247.258 1.271 10 5 BDBERO [NH3+]C[C@]1(CO)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070500316 181469785 /nfs/dbraw/zinc/46/97/85/181469785.db2.gz KVQBIELVIDUNSP-KOLCDFICSA-N 1 0 222.244 1.020 10 5 BDBERO O=[N+]([O-])c1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000091524765 369425415 /nfs/dbraw/zinc/42/54/15/369425415.db2.gz DMWOBHYCGMOBQE-UHFFFAOYSA-N 1 0 236.271 1.455 10 5 BDBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000600961326 371716272 /nfs/dbraw/zinc/71/62/72/371716272.db2.gz PVZQGVIIDQQFOX-RQJHMYQMSA-N 1 0 242.304 1.082 10 5 BDBERO COc1cc(NC[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860269 371949815 /nfs/dbraw/zinc/94/98/15/371949815.db2.gz UWISDFJPRDUFGI-ZCFIWIBFSA-N 1 0 243.238 1.502 10 5 BDBERO O=[N+]([O-])c1cnccc1NC[C@H]1CCC[NH2+]1 ZINC000053255373 182960556 /nfs/dbraw/zinc/96/05/56/182960556.db2.gz QUCMMTGCLWHYEK-MRVPVSSYSA-N 1 0 222.248 1.154 10 5 BDBERO C[C@H](CC[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000309422966 384212199 /nfs/dbraw/zinc/21/21/99/384212199.db2.gz IALOFESWMKKSQO-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO O=[N+]([O-])c1ccc2oc(O[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092029 384837594 /nfs/dbraw/zinc/83/75/94/384837594.db2.gz LMQIVIZLJKSZTA-MRVPVSSYSA-N 1 0 249.226 1.477 10 5 BDBERO C[C@@H](CC[NH3+])Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000310980733 385263015 /nfs/dbraw/zinc/26/30/15/385263015.db2.gz JQXCOSPGDVJLPE-ZETCQYMHSA-N 1 0 249.274 1.620 10 5 BDBERO CCOc1cc(N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000111051534 385500458 /nfs/dbraw/zinc/50/04/58/385500458.db2.gz TVVPMGOTTVONIY-UHFFFAOYSA-N 1 0 239.275 1.388 10 5 BDBERO C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052395575 385732463 /nfs/dbraw/zinc/73/24/63/385732463.db2.gz JWWCGLFWIADHEU-MRVPVSSYSA-N 1 0 237.259 1.450 10 5 BDBERO O=[N+]([O-])c1ccccc1CO[C@@H]1CC[NH2+]C1 ZINC000051782553 385915352 /nfs/dbraw/zinc/91/53/52/385915352.db2.gz BQNZJTJYPCIGRU-SNVBAGLBSA-N 1 0 222.244 1.473 10 5 BDBERO C[C@H](C[NH3+])Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162159987 388347363 /nfs/dbraw/zinc/34/73/63/388347363.db2.gz GMJXRGCLFQZSDT-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO [NH3+]CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044514706 132224850 /nfs/dbraw/zinc/22/48/50/132224850.db2.gz LIEZUYIYHHYGIA-UHFFFAOYSA-N 1 0 235.287 1.770 10 5 BDBERO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000052783454 132362356 /nfs/dbraw/zinc/36/23/56/132362356.db2.gz ZCVQXBBRPGDEPQ-SECBINFHSA-N 1 0 221.260 1.393 10 5 BDBERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000130516226 134620061 /nfs/dbraw/zinc/62/00/61/134620061.db2.gz RMAZZOAVRQNTKE-VIFPVBQESA-N 1 0 238.291 1.919 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC000260224622 135147860 /nfs/dbraw/zinc/14/78/60/135147860.db2.gz VLCATLLBMDTWFM-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO CC[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000020525352 170116544 /nfs/dbraw/zinc/11/65/44/170116544.db2.gz QRIUWMZRTOQWJG-UHFFFAOYSA-N 1 0 210.233 1.583 10 5 BDBERO C[NH2+]CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000042409985 173362060 /nfs/dbraw/zinc/36/20/60/173362060.db2.gz QYRIQHOWZMEVMS-UHFFFAOYSA-N 1 0 220.232 1.164 10 5 BDBERO C[NH2+]C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000051867160 173365004 /nfs/dbraw/zinc/36/50/04/173365004.db2.gz NPSQHWSFJXJYMI-MRVPVSSYSA-N 1 0 210.233 1.582 10 5 BDBERO C[NH2+]C[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000051867158 173375981 /nfs/dbraw/zinc/37/59/81/173375981.db2.gz NPSQHWSFJXJYMI-QMMMGPOBSA-N 1 0 210.233 1.582 10 5 BDBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC(F)F ZINC000037755565 173386483 /nfs/dbraw/zinc/38/64/83/173386483.db2.gz DBPBLHFGNDDKQJ-UHFFFAOYSA-N 1 0 246.213 1.958 10 5 BDBERO COc1cc(NCCC[NH3+])c([N+](=O)[O-])cc1F ZINC000110625041 175001721 /nfs/dbraw/zinc/00/17/21/175001721.db2.gz NYQDDMIPHZCBNH-UHFFFAOYSA-N 1 0 243.238 1.503 10 5 BDBERO COc1cc(NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000111051719 175002524 /nfs/dbraw/zinc/00/25/24/175002524.db2.gz MOOTYQUTPXPLOA-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@H]1C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000052277788 177385858 /nfs/dbraw/zinc/38/58/58/177385858.db2.gz QOKOQLXOJSSVRG-JOYOIKCWSA-N 1 0 236.271 1.972 10 5 BDBERO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000394445572 262731643 /nfs/dbraw/zinc/73/16/43/262731643.db2.gz FGCLPUKPUPRTQN-YUMQZZPRSA-N 1 0 224.264 1.446 10 5 BDBERO COc1cc(N[C@H](C)C[NH3+])c([N+](=O)[O-])cc1F ZINC000111302723 323158652 /nfs/dbraw/zinc/15/86/52/323158652.db2.gz HFHNZRAWJJVMPW-ZCFIWIBFSA-N 1 0 243.238 1.502 10 5 BDBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000320600035 323574575 /nfs/dbraw/zinc/57/45/75/323574575.db2.gz XBXAXCPISAKSSS-HTQZYQBOSA-N 1 0 224.264 1.528 10 5 BDBERO [NH3+]C[C@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000536958371 323970501 /nfs/dbraw/zinc/97/05/01/323970501.db2.gz OCWFFCZMDLWKKY-GXSJLCMTSA-N 1 0 222.244 1.426 10 5 BDBERO COc1cc2c(c([N+](=O)[O-])c1)O[C@H](C)[C@H]2[NH3+] ZINC000757175899 582553378 /nfs/dbraw/zinc/55/33/78/582553378.db2.gz OEZHTXYARLVBAX-MLUIRONXSA-N 1 0 224.216 1.384 10 5 BDBERO COc1cc2c(c([N+](=O)[O-])c1)O[C@@H](C)[C@H]2[NH3+] ZINC000757175901 582553031 /nfs/dbraw/zinc/55/30/31/582553031.db2.gz OEZHTXYARLVBAX-SSDLBLMSSA-N 1 0 224.216 1.384 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000300049245 592501377 /nfs/dbraw/zinc/50/13/77/592501377.db2.gz QVTONLILKWKFAZ-OIBJUYFYSA-N 1 0 239.250 1.517 10 5 BDBERO C[C@@H]1C[NH2+]CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000054375281 632889872 /nfs/dbraw/zinc/88/98/72/632889872.db2.gz YOAKSJNNFUGGGN-MRVPVSSYSA-N 1 0 239.250 1.532 10 5 BDBERO [NH3+][C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000228888919 640902858 /nfs/dbraw/zinc/90/28/58/640902858.db2.gz WRSKVMMEDFEHTE-ZCFIWIBFSA-N 1 0 243.213 1.410 10 5 BDBERO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000071148024 643103757 /nfs/dbraw/zinc/10/37/57/643103757.db2.gz SWPYTHNMVAXTCK-JTQLQIEISA-N 1 0 235.287 1.641 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000721955652 710694623 /nfs/dbraw/zinc/69/46/23/710694623.db2.gz XYFFLBIGZMFMPS-LDYMZIIASA-N 1 0 221.260 1.615 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000721858003 711791772 /nfs/dbraw/zinc/79/17/72/711791772.db2.gz NUCWRJDOBXFZCQ-GMSGAONNSA-N 1 0 239.250 1.754 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721858814 711791788 /nfs/dbraw/zinc/79/17/88/711791788.db2.gz FTWDQRCSPZXSER-VXNVDRBHSA-N 1 0 236.275 1.318 10 5 BDBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1 ZINC000702652250 712058639 /nfs/dbraw/zinc/05/86/39/712058639.db2.gz AZMMCENBOXGQEN-DTWKUNHWSA-N 1 0 221.260 1.521 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853101 712200993 /nfs/dbraw/zinc/20/09/93/712200993.db2.gz DFODNFGXCAHRCD-GHMZBOCLSA-N 1 0 249.314 1.934 10 5 BDBERO [NH3+]C1CC(CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000715086431 712507539 /nfs/dbraw/zinc/50/75/39/712507539.db2.gz UONSKYCXKPDCLC-UHFFFAOYSA-N 1 0 222.248 1.139 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000715145338 712511960 /nfs/dbraw/zinc/51/19/60/712511960.db2.gz BRFBHQAHVJOSEK-DTORHVGOSA-N 1 0 221.260 1.744 10 5 BDBERO C[N+](C)(C)CCOC(=O)c1cccc(N)c1 ZINC000003620966 717096431 /nfs/dbraw/zinc/09/64/31/717096431.db2.gz UGINNLZLNCHGPJ-UHFFFAOYSA-N 1 0 223.296 1.132 10 5 BDBERO CNC(=O)COc1cccc([N+](C)(C)C)c1 ZINC000005700344 717101264 /nfs/dbraw/zinc/10/12/64/717101264.db2.gz AZRSTHWKARFLIU-UHFFFAOYSA-O 1 0 223.296 1.008 10 5 BDBERO CN(C)C(=O)Nc1ccc([N+](C)(C)C)cc1 ZINC000038171657 717126012 /nfs/dbraw/zinc/12/60/12/717126012.db2.gz QDCNUQUZNYLNIZ-UHFFFAOYSA-O 1 0 222.312 1.977 10 5 BDBERO CCO[C@@]1(C)C[N+](C)(C)[C@@H](C)CC1=O ZINC000005861465 717102556 /nfs/dbraw/zinc/10/25/56/717102556.db2.gz IPRZKFOCCZRWDS-ONGXEEELSA-N 1 0 200.302 1.219 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N(C)CC[NH3+] ZINC000054419453 178270687 /nfs/dbraw/zinc/27/06/87/178270687.db2.gz AZFCAIWCWGCQOZ-UHFFFAOYSA-N 1 0 209.249 1.298 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NCC[NH2+]C(C)C ZINC000054267752 178273893 /nfs/dbraw/zinc/27/38/93/178273893.db2.gz WCXLTBQRNLJIKK-UHFFFAOYSA-N 1 0 238.291 1.708 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1OC[C@H]1CCC[NH2+]1 ZINC000052813484 178275003 /nfs/dbraw/zinc/27/50/03/178275003.db2.gz KKEGCBCHSGTMHD-SECBINFHSA-N 1 0 237.259 1.429 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063176450 178275360 /nfs/dbraw/zinc/27/53/60/178275360.db2.gz PNOMOQQKAMCXIP-VHSXEESVSA-N 1 0 236.275 1.590 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH3+])c1 ZINC000087544519 259322712 /nfs/dbraw/zinc/32/27/12/259322712.db2.gz VBTCNCAGYRTTHO-ZETCQYMHSA-N 1 0 225.248 1.363 10 5 BDBERO O=[N+]([O-])c1ccc2oc(N[C@H]3CC[NH2+]C3)nc2c1 ZINC000094356947 398315653 /nfs/dbraw/zinc/31/56/53/398315653.db2.gz UXOCMVZHOXIHIM-ZETCQYMHSA-N 1 0 248.242 1.510 10 5 BDBERO [NH3+][C@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC000164897900 343067352 /nfs/dbraw/zinc/06/73/52/343067352.db2.gz GYJHRMMXWORSNJ-KYZUINATSA-N 1 0 236.275 1.672 10 5 BDBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000600952132 344401200 /nfs/dbraw/zinc/40/12/00/344401200.db2.gz RLJOMBZOGRSYFV-DTWKUNHWSA-N 1 0 236.275 1.542 10 5 BDBERO Cc1cc(N2C[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600963670 344948944 /nfs/dbraw/zinc/94/89/44/344948944.db2.gz YHWGIHSMIYKPCI-VHSXEESVSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+][C@H](CCO)c1ccc([N+](=O)[O-])s1 ZINC000044233756 344988819 /nfs/dbraw/zinc/98/88/19/344988819.db2.gz LUAYFGPZQWMVRT-RXMQYKEDSA-N 1 0 202.235 1.039 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH3+] ZINC000082584559 345444252 /nfs/dbraw/zinc/44/42/52/345444252.db2.gz FUTFYCCOVAPDTI-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1ccnc(NC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000070496744 345761931 /nfs/dbraw/zinc/76/19/31/345761931.db2.gz LCROFQZJOUBVPB-VIFPVBQESA-N 1 0 238.291 1.693 10 5 BDBERO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000601327558 345770769 /nfs/dbraw/zinc/77/07/69/345770769.db2.gz WPFIYKTURMKEHX-JQWIXIFHSA-N 1 0 249.314 1.621 10 5 BDBERO C[NH+]1CCC2(COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000038999078 347172566 /nfs/dbraw/zinc/17/25/66/347172566.db2.gz GCPSHYJNXMMOKB-UHFFFAOYSA-N 1 0 248.282 1.951 10 5 BDBERO Cn1cnc([N+](=O)[O-])c1NCC1([NH3+])CCCC1 ZINC000594694194 348100675 /nfs/dbraw/zinc/10/06/75/348100675.db2.gz DXTHZODBXNDETE-UHFFFAOYSA-N 1 0 239.279 1.012 10 5 BDBERO CC(C)[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])s1 ZINC000596030345 348425933 /nfs/dbraw/zinc/42/59/33/348425933.db2.gz UUWPIAOKKRFCIK-SSDOTTSWSA-N 1 0 244.320 1.259 10 5 BDBERO C[NH2+]C[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000596031777 348427243 /nfs/dbraw/zinc/42/72/43/348427243.db2.gz FTTDBYUKUHFQDN-VIFPVBQESA-N 1 0 223.276 1.923 10 5 BDBERO Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1C[NH3+] ZINC000019965459 180331303 /nfs/dbraw/zinc/33/13/03/180331303.db2.gz CYWRVXMLPKXHQX-UHFFFAOYSA-N 1 0 246.270 1.856 10 5 BDBERO C[C@H]([NH3+])CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772145 362997642 /nfs/dbraw/zinc/99/76/42/362997642.db2.gz VVOOUQPSNJQVAF-ZETCQYMHSA-N 1 0 249.274 1.620 10 5 BDBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cn1 ZINC000063171360 351269973 /nfs/dbraw/zinc/26/99/73/351269973.db2.gz VIXIUAWBNCTCEV-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389694994 356861359 /nfs/dbraw/zinc/86/13/59/356861359.db2.gz CGBXAVNBYRBUOB-SCZZXKLOSA-N 1 0 236.275 1.400 10 5 BDBERO [NH3+]CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037029816 181369000 /nfs/dbraw/zinc/36/90/00/181369000.db2.gz OLWFGUHCODHVEG-UHFFFAOYSA-N 1 0 243.650 1.536 10 5 BDBERO [NH3+]CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378882 181383231 /nfs/dbraw/zinc/38/32/31/181383231.db2.gz JBOYNZZSRBMDKP-UHFFFAOYSA-N 1 0 246.270 1.904 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000095766833 181478676 /nfs/dbraw/zinc/47/86/76/181478676.db2.gz PKEGRLJZZKIYMF-UHFFFAOYSA-N 1 0 221.138 1.467 10 5 BDBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000082579254 371009291 /nfs/dbraw/zinc/00/92/91/371009291.db2.gz JIJCYPXROTVIQG-QMMMGPOBSA-N 1 0 209.249 1.744 10 5 BDBERO C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600961249 371715926 /nfs/dbraw/zinc/71/59/26/371715926.db2.gz OLBRVOAFICEXDW-VHSXEESVSA-N 1 0 235.287 1.626 10 5 BDBERO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000600961287 371716168 /nfs/dbraw/zinc/71/61/68/371716168.db2.gz PCWDFYJMJDQNGB-WDEREUQCSA-N 1 0 249.314 1.934 10 5 BDBERO O=[N+]([O-])c1ccnc(NC2CC[NH2+]CC2)c1 ZINC000043568441 182954952 /nfs/dbraw/zinc/95/49/52/182954952.db2.gz UMMXWZMIJHCIIP-UHFFFAOYSA-N 1 0 222.248 1.154 10 5 BDBERO CCC[NH2+]CCCOc1cccnc1[N+](=O)[O-] ZINC000020524933 169256565 /nfs/dbraw/zinc/25/65/65/169256565.db2.gz ZXQLOEVVAMCNBT-UHFFFAOYSA-N 1 0 239.275 1.758 10 5 BDBERO C[C@@H]([NH3+])CCNc1c(F)cccc1[N+](=O)[O-] ZINC000304543212 384353560 /nfs/dbraw/zinc/35/35/60/384353560.db2.gz NUHOCRWHEUFNQK-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309484086 384537158 /nfs/dbraw/zinc/53/71/58/384537158.db2.gz XIQYKBIEPXVYEQ-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO CCc1cc([N+](=O)[O-])cc(C[NH3+])c1OC ZINC000575725736 384910862 /nfs/dbraw/zinc/91/08/62/384910862.db2.gz MYGVIPNSKPSQOQ-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO CCc1cc(OC)c(C[NH3+])c([N+](=O)[O-])c1 ZINC000575726247 384915910 /nfs/dbraw/zinc/91/59/10/384915910.db2.gz SOGVJXHXAQLIEL-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111304632 385502864 /nfs/dbraw/zinc/50/28/64/385502864.db2.gz XMDORMHWMSATFD-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[NH2+]C2)n1 ZINC000162860843 387469461 /nfs/dbraw/zinc/46/94/61/387469461.db2.gz LDTPUISNNRYKJH-SECBINFHSA-N 1 0 236.275 1.462 10 5 BDBERO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000053712122 132363603 /nfs/dbraw/zinc/36/36/03/132363603.db2.gz WVMZIPGCPNDPFC-AOOOYVTPSA-N 1 0 235.287 1.781 10 5 BDBERO CN(c1cccc(F)c1[N+](=O)[O-])C1C[NH2+]C1 ZINC000085258486 134273034 /nfs/dbraw/zinc/27/30/34/134273034.db2.gz RITUDFAHSZJYTM-UHFFFAOYSA-N 1 0 225.223 1.142 10 5 BDBERO C[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC000336726948 397949555 /nfs/dbraw/zinc/94/95/55/397949555.db2.gz VQMLLPGFJRBNJT-MRVPVSSYSA-N 1 0 239.279 1.314 10 5 BDBERO CC(C)[NH2+]CCCOc1cccnc1[N+](=O)[O-] ZINC000020524932 167101947 /nfs/dbraw/zinc/10/19/47/167101947.db2.gz UZZNOGCXULVPNU-UHFFFAOYSA-N 1 0 239.275 1.757 10 5 BDBERO CC(C)[NH2+]C[C@@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000033867611 167110931 /nfs/dbraw/zinc/11/09/31/167110931.db2.gz XGAIEZLJSRQDHV-LBPRGKRZSA-N 1 0 238.287 1.496 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CC[NH3+] ZINC000310464160 172137642 /nfs/dbraw/zinc/13/76/42/172137642.db2.gz YVCGEPKDZZZZIF-ZETCQYMHSA-N 1 0 241.295 1.269 10 5 BDBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CC[NH3+] ZINC000310219096 172248682 /nfs/dbraw/zinc/24/86/82/172248682.db2.gz GOKXYRHCGPABJA-SSDOTTSWSA-N 1 0 241.295 1.269 10 5 BDBERO C[N@@H+]1CCCc2ccc([N+](=O)[O-])cc2C1 ZINC000090505029 173062631 /nfs/dbraw/zinc/06/26/31/173062631.db2.gz FYKGJTBCKZERNI-UHFFFAOYSA-N 1 0 206.245 1.973 10 5 BDBERO C[NH2+]CCN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000228415955 173353748 /nfs/dbraw/zinc/35/37/48/173353748.db2.gz SCLDWKRNVKQTBB-UHFFFAOYSA-N 1 0 243.694 1.904 10 5 BDBERO COCC[NH2+]CCCc1ccc([N+](=O)[O-])cc1 ZINC000053302885 174332498 /nfs/dbraw/zinc/33/24/98/174332498.db2.gz XVTGGGUMOMKPCP-UHFFFAOYSA-N 1 0 238.287 1.763 10 5 BDBERO COc1cc(NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000111051722 175002778 /nfs/dbraw/zinc/00/27/78/175002778.db2.gz MOOTYQUTPXPLOA-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CO ZINC000035604861 175201251 /nfs/dbraw/zinc/20/12/51/175201251.db2.gz JQIDZMGBXFIWSQ-QMMMGPOBSA-N 1 0 240.259 1.074 10 5 BDBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000336642779 175666488 /nfs/dbraw/zinc/66/64/88/175666488.db2.gz ABSGAFWDBAKQRZ-QMMMGPOBSA-N 1 0 224.264 1.529 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300044849 592501585 /nfs/dbraw/zinc/50/15/85/592501585.db2.gz RMKJCLAYECUPAX-GXSJLCMTSA-N 1 0 235.287 1.687 10 5 BDBERO C[C@@H](O)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000308972005 631776980 /nfs/dbraw/zinc/77/69/80/631776980.db2.gz ADYLXXYPXDXEAX-NKWVEPMBSA-N 1 0 230.289 1.515 10 5 BDBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])cc1C ZINC000069802675 631987025 /nfs/dbraw/zinc/98/70/25/631987025.db2.gz JUJKTFVQDCEJFH-UHFFFAOYSA-N 1 0 223.276 1.559 10 5 BDBERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC000227749489 632557760 /nfs/dbraw/zinc/55/77/60/632557760.db2.gz HQQDQMBMDLXAGP-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO [NH3+]CCCCCCNc1ccc([N+](=O)[O-])nc1 ZINC000700489460 711994595 /nfs/dbraw/zinc/99/45/95/711994595.db2.gz PKCPAIXXWVOADH-UHFFFAOYSA-N 1 0 238.291 1.921 10 5 BDBERO [NH3+]C1CC(CNc2ccccc2[N+](=O)[O-])C1 ZINC000715084811 712507443 /nfs/dbraw/zinc/50/74/43/712507443.db2.gz BRFBHQAHVJOSEK-UHFFFAOYSA-N 1 0 221.260 1.744 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000721856545 710687052 /nfs/dbraw/zinc/68/70/52/710687052.db2.gz KMEJXDUUBGBECJ-RDDDGLTNSA-N 1 0 239.250 1.754 10 5 BDBERO CC1(C)C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000721865435 711792176 /nfs/dbraw/zinc/79/21/76/711792176.db2.gz KJPPZMJCHRRUOJ-SECBINFHSA-N 1 0 236.275 1.400 10 5 BDBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1 ZINC000702652249 712058730 /nfs/dbraw/zinc/05/87/30/712058730.db2.gz AZMMCENBOXGQEN-BDAKNGLRSA-N 1 0 221.260 1.521 10 5 BDBERO C[N+]1(C)CCc2c[nH]c3ccc(O)c1c23 ZINC000013434256 717107903 /nfs/dbraw/zinc/10/79/03/717107903.db2.gz XRZDSPVDZKCARG-UHFFFAOYSA-O 1 0 203.265 1.997 10 5 BDBERO Cc1cc(N[C@H](C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000336649923 178185910 /nfs/dbraw/zinc/18/59/10/178185910.db2.gz HELITCHHNQLKJQ-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1cc(OCCCC(N)=[NH2+])ccc1[N+](=O)[O-] ZINC000038080903 178209804 /nfs/dbraw/zinc/20/98/04/178209804.db2.gz XJCGUWANWSSCTR-UHFFFAOYSA-N 1 0 237.259 1.998 10 5 BDBERO [NH3+]C[C@@H]1C[C@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000536957022 343652491 /nfs/dbraw/zinc/65/24/91/343652491.db2.gz DQCAIBCECIHFTH-IUCAKERBSA-N 1 0 222.244 1.426 10 5 BDBERO CCN(CC[NH3+])c1c(C)cccc1[N+](=O)[O-] ZINC000165938406 344239627 /nfs/dbraw/zinc/23/96/27/344239627.db2.gz YSAXZBVPNZRZCJ-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO CCN(CC[NH3+])c1ncc(C)cc1[N+](=O)[O-] ZINC000165930632 344232089 /nfs/dbraw/zinc/23/20/89/344232089.db2.gz GSCLLVJZIIOBJC-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO C[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C[NH2+]1 ZINC000600955866 344402009 /nfs/dbraw/zinc/40/20/09/344402009.db2.gz STPAQCXHXVWULH-RKDXNWHRSA-N 1 0 236.275 1.542 10 5 BDBERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000381561284 344520765 /nfs/dbraw/zinc/52/07/65/344520765.db2.gz HYPKSXHIKBOSAD-PHDIDXHHSA-N 1 0 244.682 1.791 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000600961258 344684248 /nfs/dbraw/zinc/68/42/48/344684248.db2.gz OTLIPHXHVFRJMD-RKDXNWHRSA-N 1 0 236.275 1.021 10 5 BDBERO Cc1cccc(N2C[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600962617 344816933 /nfs/dbraw/zinc/81/69/33/344816933.db2.gz ZSVJPHOXXNLFOY-QWRGUYRKSA-N 1 0 249.314 1.934 10 5 BDBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)cn1 ZINC000044493062 345095783 /nfs/dbraw/zinc/09/57/83/345095783.db2.gz BGFKGKLIKNCIQF-SECBINFHSA-N 1 0 236.275 1.544 10 5 BDBERO C[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000408306877 345101015 /nfs/dbraw/zinc/10/10/15/345101015.db2.gz FIADJZCGQNUYNV-SECBINFHSA-N 1 0 238.291 1.703 10 5 BDBERO Cc1ccc([C@@H](C)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000038086678 178834858 /nfs/dbraw/zinc/83/48/58/178834858.db2.gz VHGDDRTUSYZGSY-LLVKDONJSA-N 1 0 249.314 1.869 10 5 BDBERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000091480845 345593956 /nfs/dbraw/zinc/59/39/56/345593956.db2.gz BDXDKRCBQGNORU-NSHDSACASA-N 1 0 249.314 1.983 10 5 BDBERO Cc1ccnc(NC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000070496745 345762051 /nfs/dbraw/zinc/76/20/51/345762051.db2.gz LCROFQZJOUBVPB-SECBINFHSA-N 1 0 238.291 1.693 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH3+])C2)n1 ZINC000162856957 178929516 /nfs/dbraw/zinc/92/95/16/178929516.db2.gz QPIMZVGMOIAKDW-SECBINFHSA-N 1 0 236.275 1.083 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH3+])n1 ZINC000309456324 178930788 /nfs/dbraw/zinc/93/07/88/178930788.db2.gz PPFVNHVKMJBJQF-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cn1 ZINC000596030134 348426364 /nfs/dbraw/zinc/42/63/64/348426364.db2.gz KUWKHAWBTSZTMB-SNVBAGLBSA-N 1 0 238.291 1.197 10 5 BDBERO C[NH2+]C[C@H](C)Nc1c(C)cccc1[N+](=O)[O-] ZINC000596031248 348426579 /nfs/dbraw/zinc/42/65/79/348426579.db2.gz DCXMBYQECWRBJT-VIFPVBQESA-N 1 0 223.276 1.923 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000596031792 348427259 /nfs/dbraw/zinc/42/72/59/348427259.db2.gz GDCLZPDKUDUCIA-ZETCQYMHSA-N 1 0 210.237 1.010 10 5 BDBERO O=[N+]([O-])c1ccccc1COC[C@H]1CCC[NH2+]1 ZINC000051816482 350136058 /nfs/dbraw/zinc/13/60/58/350136058.db2.gz JPWMPYMKPSFLTD-LLVKDONJSA-N 1 0 236.271 1.863 10 5 BDBERO Cc1cnc(N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000383025906 351166399 /nfs/dbraw/zinc/16/63/99/351166399.db2.gz ZMQLJHWQFFHADF-MRVPVSSYSA-N 1 0 224.264 1.082 10 5 BDBERO [NH3+]Cc1c(Br)ccc(F)c1[N+](=O)[O-] ZINC000307538183 352643415 /nfs/dbraw/zinc/64/34/15/352643415.db2.gz WHRXIYAHXQQUTC-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1NC[C@H](C)C[NH3+] ZINC000420210289 192176648 /nfs/dbraw/zinc/17/66/48/192176648.db2.gz CVQHHPGADLSZOO-MRVPVSSYSA-N 1 0 223.276 1.910 10 5 BDBERO Cc1cccc(NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420216334 192177210 /nfs/dbraw/zinc/17/72/10/192177210.db2.gz MFMQNJYRCBPWOD-QMMMGPOBSA-N 1 0 223.276 1.910 10 5 BDBERO [NH3+]CC[C@H](Nc1ncccc1[N+](=O)[O-])C(F)F ZINC000383441716 353078628 /nfs/dbraw/zinc/07/86/28/353078628.db2.gz JZHROLNANIWOGX-LURJTMIESA-N 1 0 246.217 1.384 10 5 BDBERO Cc1ccc(OCCC[NH3+])c([N+](=O)[O-])c1 ZINC000033817845 188359676 /nfs/dbraw/zinc/35/96/76/188359676.db2.gz KOGPKIVWGPVLKC-UHFFFAOYSA-N 1 0 210.233 1.631 10 5 BDBERO O=[N+]([O-])c1cc(NC2=[NH+]CCN2)ccc1Cl ZINC000675072876 538504153 /nfs/dbraw/zinc/50/41/53/538504153.db2.gz OFCPJPOEQLAPAF-UHFFFAOYSA-N 1 0 240.650 1.619 10 5 BDBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000389707891 356906061 /nfs/dbraw/zinc/90/60/61/356906061.db2.gz PYUMRJRWPJFHTB-SCZZXKLOSA-N 1 0 236.275 1.400 10 5 BDBERO [NH3+]C1CC(Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000036268752 181340443 /nfs/dbraw/zinc/34/04/43/181340443.db2.gz OHBKAYOWEDRHSU-UHFFFAOYSA-N 1 0 225.223 1.636 10 5 BDBERO [NH3+]C1CC(Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052121044 181340445 /nfs/dbraw/zinc/34/04/45/181340445.db2.gz NDFKZDKRGIYTKF-UHFFFAOYSA-N 1 0 225.223 1.636 10 5 BDBERO [NH3+]CCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037017959 181368865 /nfs/dbraw/zinc/36/88/65/181368865.db2.gz GESZLUWCCDYEHY-UHFFFAOYSA-N 1 0 227.195 1.021 10 5 BDBERO [NH3+]C[C@@]1(CO)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000070500295 181441951 /nfs/dbraw/zinc/44/19/51/181441951.db2.gz WYWSQLSUDMHEAL-WDEREUQCSA-N 1 0 222.244 1.020 10 5 BDBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000070010776 371003409 /nfs/dbraw/zinc/00/34/09/371003409.db2.gz XNLFECSJBZLYJC-LLVKDONJSA-N 1 0 223.276 1.990 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1NC[C@H](C)[NH3+] ZINC000125758020 371395003 /nfs/dbraw/zinc/39/50/03/371395003.db2.gz JKAFLGGVNYZJPQ-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO [NH3+]CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162151102 371617753 /nfs/dbraw/zinc/61/77/53/371617753.db2.gz FAWFQGUUFOLFHE-UHFFFAOYSA-N 1 0 246.270 1.904 10 5 BDBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000600951742 371713257 /nfs/dbraw/zinc/71/32/57/371713257.db2.gz MRZZATKSAXDDDJ-NKWVEPMBSA-N 1 0 242.304 1.604 10 5 BDBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000600962303 371716557 /nfs/dbraw/zinc/71/65/57/371716557.db2.gz CZKXYORSWRBRIT-RKDXNWHRSA-N 1 0 221.260 1.521 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000600962175 371717795 /nfs/dbraw/zinc/71/77/95/371717795.db2.gz ANAKMSAQEYPTFW-NXEZZACHSA-N 1 0 235.287 1.829 10 5 BDBERO Cc1nc(N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000227750044 371929598 /nfs/dbraw/zinc/92/95/98/371929598.db2.gz WSWCVMMDSFPBGC-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO [NH3+]Cc1cccc(Br)c1[N+](=O)[O-] ZINC000231436023 372030282 /nfs/dbraw/zinc/03/02/82/372030282.db2.gz NICXODIODHVQTK-UHFFFAOYSA-N 1 0 231.049 1.816 10 5 BDBERO Cc1cc(N[C@H](C)[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000394445570 384194571 /nfs/dbraw/zinc/19/45/71/384194571.db2.gz FGCLPUKPUPRTQN-JGVFFNPUSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@H](C[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235464659 384410910 /nfs/dbraw/zinc/41/09/10/384410910.db2.gz DATNCWPXXHKNQK-RXMQYKEDSA-N 1 0 231.202 1.632 10 5 BDBERO C[C@H](C[NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000309287365 384683867 /nfs/dbraw/zinc/68/38/67/384683867.db2.gz GRDSDXGGPPPHGN-SSDOTTSWSA-N 1 0 227.239 1.741 10 5 BDBERO [NH3+][C@H](CO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072198298 384812447 /nfs/dbraw/zinc/81/24/47/384812447.db2.gz XKLGTSJJJYBCKD-SSDOTTSWSA-N 1 0 216.624 1.240 10 5 BDBERO O=[N+]([O-])c1cccnc1S[C@H]1CCC[NH2+]C1 ZINC000095091905 384812771 /nfs/dbraw/zinc/81/27/71/384812771.db2.gz WYGZQWVZGRWANU-QMMMGPOBSA-N 1 0 239.300 1.834 10 5 BDBERO N[C@@H](C[NH3+])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072200904 384814992 /nfs/dbraw/zinc/81/49/92/384814992.db2.gz XDNPGEIZDGFBCP-ZETCQYMHSA-N 1 0 215.640 1.207 10 5 BDBERO C[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000336677006 385607474 /nfs/dbraw/zinc/60/74/74/385607474.db2.gz VVNJOOHOHNHSEI-SSDOTTSWSA-N 1 0 244.320 1.981 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH3+])n1 ZINC000088036535 387525754 /nfs/dbraw/zinc/52/57/54/387525754.db2.gz KAEHJWRGUMNJBX-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO C[NH+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000038588502 388404845 /nfs/dbraw/zinc/40/48/45/388404845.db2.gz LZAUJKLXJFELOL-UHFFFAOYSA-N 1 0 224.260 1.925 10 5 BDBERO COc1cc(NCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227856389 388372088 /nfs/dbraw/zinc/37/20/88/388372088.db2.gz HJEMNCJOQMNGTR-UHFFFAOYSA-N 1 0 243.238 1.503 10 5 BDBERO O=[N+]([O-])c1cc(F)cc(N2CC[NH2+]CC2)c1 ZINC000037666374 132345100 /nfs/dbraw/zinc/34/51/00/132345100.db2.gz VMFJBAHGOLSQSD-UHFFFAOYSA-N 1 0 225.223 1.144 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H]([NH3+])C(C)C ZINC000070447804 134918899 /nfs/dbraw/zinc/91/88/99/134918899.db2.gz OJHQZPPFCNOYFA-JTQLQIEISA-N 1 0 238.291 1.693 10 5 BDBERO CC(C)[NH2+]C[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000087492910 167111037 /nfs/dbraw/zinc/11/10/37/167111037.db2.gz PCNHIOIZEGPWGX-LLVKDONJSA-N 1 0 224.260 1.626 10 5 BDBERO CCOC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000045687871 170208731 /nfs/dbraw/zinc/20/87/31/170208731.db2.gz MNDSNGXYVOBSJI-UHFFFAOYSA-N 1 0 242.231 1.231 10 5 BDBERO COc1c(F)cc(C[NH3+])cc1[N+](=O)[O-] ZINC000082643155 174930868 /nfs/dbraw/zinc/93/08/68/174930868.db2.gz TYXWLOPMEIZQAK-UHFFFAOYSA-N 1 0 200.169 1.201 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH3+])c1 ZINC000310254547 175201043 /nfs/dbraw/zinc/20/10/43/175201043.db2.gz OXSUPDXRYXCVTQ-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@@H]([NH3+])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000034979589 175800891 /nfs/dbraw/zinc/80/08/91/175800891.db2.gz SWDVVSGDPNNKRG-RXMQYKEDSA-N 1 0 227.195 1.020 10 5 BDBERO C[C@@H]([NH3+])[C@H](O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000074368709 175812600 /nfs/dbraw/zinc/81/26/00/175812600.db2.gz MFLKYRTVZUDPGX-ANLVUFKYSA-N 1 0 214.196 1.115 10 5 BDBERO C[C@H](CC[NH3+])Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000310980731 176627995 /nfs/dbraw/zinc/62/79/95/176627995.db2.gz JQXCOSPGDVJLPE-SSDOTTSWSA-N 1 0 249.274 1.620 10 5 BDBERO COc1cc(N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000082576522 325543351 /nfs/dbraw/zinc/54/33/51/325543351.db2.gz OZHCADQWNINFRW-ZETCQYMHSA-N 1 0 225.248 1.363 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH3+])c1 ZINC000087151077 490377324 /nfs/dbraw/zinc/37/73/24/490377324.db2.gz KJWFNNILJYKYDQ-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000127329605 590621519 /nfs/dbraw/zinc/62/15/19/590621519.db2.gz YFDOEUOCTLAASS-ZJUUUORDSA-N 1 0 235.287 1.768 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000300046940 592501472 /nfs/dbraw/zinc/50/14/72/592501472.db2.gz BGLLIZPERSJLPM-GZMMTYOYSA-N 1 0 221.260 1.378 10 5 BDBERO CCN(CC[NH3+])c1c(F)cc([N+](=O)[O-])cc1F ZINC000233456183 635536084 /nfs/dbraw/zinc/53/60/84/635536084.db2.gz WZMJAFKEPXHZDO-UHFFFAOYSA-N 1 0 245.229 1.658 10 5 BDBERO C[C@H]([NH3+])CNc1cccc(F)c1[N+](=O)[O-] ZINC000082575593 632517275 /nfs/dbraw/zinc/51/72/75/632517275.db2.gz QPCNRMKJENZUIZ-LURJTMIESA-N 1 0 213.212 1.493 10 5 BDBERO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](C)O ZINC000308972012 632601219 /nfs/dbraw/zinc/60/12/19/632601219.db2.gz ADYLXXYPXDXEAX-RQJHMYQMSA-N 1 0 230.289 1.515 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)[NH3+])c1 ZINC000309214301 632818538 /nfs/dbraw/zinc/81/85/38/632818538.db2.gz UMTFBZLTFYCCFE-VIFPVBQESA-N 1 0 223.276 1.687 10 5 BDBERO [NH3+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000168989043 640835516 /nfs/dbraw/zinc/83/55/16/640835516.db2.gz IAEYJHDTJZOEDC-NSHDSACASA-N 1 0 221.260 1.522 10 5 BDBERO C[C@H]([NH3+])CCNc1cccc(F)c1[N+](=O)[O-] ZINC000063171488 641143474 /nfs/dbraw/zinc/14/34/74/641143474.db2.gz CNPJDAHAHQBYIA-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094342468 644717187 /nfs/dbraw/zinc/71/71/87/644717187.db2.gz CWSDAZFFCYFPJE-SKDRFNHKSA-N 1 0 235.287 1.768 10 5 BDBERO COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094772955 644727537 /nfs/dbraw/zinc/72/75/37/644727537.db2.gz PMLJUSTXIJHUJQ-MRVPVSSYSA-N 1 0 242.250 1.858 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000715124370 711537459 /nfs/dbraw/zinc/53/74/59/711537459.db2.gz ZYRIFRGFRBPCAV-OLQVQODUSA-N 1 0 228.277 1.201 10 5 BDBERO Cc1cc(N[C@@H]2C[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000721858583 711791768 /nfs/dbraw/zinc/79/17/68/711791768.db2.gz DPFUZSVZCKHGEE-MWLCHTKSSA-N 1 0 235.287 1.923 10 5 BDBERO C[C@@H]1C[C@@H]([NH3+])CN1c1cccc(F)c1[N+](=O)[O-] ZINC000702637364 712057933 /nfs/dbraw/zinc/05/79/33/712057933.db2.gz KLGQUTCRCBKNIG-HTQZYQBOSA-N 1 0 239.250 1.660 10 5 BDBERO Cc1nc(NCC2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715097672 712508405 /nfs/dbraw/zinc/50/84/05/712508405.db2.gz SHVWCVMWECPGIK-UHFFFAOYSA-N 1 0 236.275 1.447 10 5 BDBERO [NH3+]C1CC(CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000715097725 712508614 /nfs/dbraw/zinc/50/86/14/712508614.db2.gz UDQKDPOVIGYIIK-UHFFFAOYSA-N 1 0 239.250 1.883 10 5 BDBERO CC1(C)CN(c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000720816158 712868172 /nfs/dbraw/zinc/86/81/72/712868172.db2.gz GXJORPFRQGOKIG-LLVKDONJSA-N 1 0 235.287 1.768 10 5 BDBERO CCO[C@]1(C)C[N+](C)(C)[C@H](C)CC1=O ZINC000005861021 717102801 /nfs/dbraw/zinc/10/28/01/717102801.db2.gz IPRZKFOCCZRWDS-MWLCHTKSSA-N 1 0 200.302 1.219 10 5 BDBERO Cc1cc(NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000309341956 178169212 /nfs/dbraw/zinc/16/92/12/178169212.db2.gz LHEYPBMKLNFMNH-MRVPVSSYSA-N 1 0 223.276 1.910 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CC[NH2+]C1 ZINC000052813497 178275150 /nfs/dbraw/zinc/27/51/50/178275150.db2.gz FCVHTUHJCMWREW-SECBINFHSA-N 1 0 223.232 1.039 10 5 BDBERO Cc1ccc(-c2nnc(CC[NH3+])o2)cc1[N+](=O)[O-] ZINC000050283754 178341598 /nfs/dbraw/zinc/34/15/98/178341598.db2.gz DVDUDGJVEGDDDR-UHFFFAOYSA-N 1 0 248.242 1.454 10 5 BDBERO C[C@H]([NH3+])C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000320449105 342734031 /nfs/dbraw/zinc/73/40/31/342734031.db2.gz CCLGWNMMIJBVJP-YUMQZZPRSA-N 1 0 224.264 1.528 10 5 BDBERO C[C@H](C[C@H](C)[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000320449100 342734140 /nfs/dbraw/zinc/73/41/40/342734140.db2.gz CCLGWNMMIJBVJP-JGVFFNPUSA-N 1 0 224.264 1.528 10 5 BDBERO Cc1ccnc(N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000310521625 398334913 /nfs/dbraw/zinc/33/49/13/398334913.db2.gz ULPFOHDQYRGDTC-VIFPVBQESA-N 1 0 238.291 1.838 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000600961771 344019304 /nfs/dbraw/zinc/01/93/04/344019304.db2.gz WFUBFKCEKPMSMM-GHMZBOCLSA-N 1 0 249.314 1.934 10 5 BDBERO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955686 343931029 /nfs/dbraw/zinc/93/10/29/343931029.db2.gz QNUSYNJLVMBPFB-DTWKUNHWSA-N 1 0 236.275 1.542 10 5 BDBERO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000389305773 344409594 /nfs/dbraw/zinc/40/95/94/344409594.db2.gz LUJQUEHAWRGFGZ-SSDOTTSWSA-N 1 0 242.304 1.557 10 5 BDBERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000381632597 344528428 /nfs/dbraw/zinc/52/84/28/344528428.db2.gz VOZCBGWHRMOANU-PHDIDXHHSA-N 1 0 244.682 1.791 10 5 BDBERO Cc1nc(N2C[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000600962786 344836948 /nfs/dbraw/zinc/83/69/48/344836948.db2.gz MDHXQTATHZUCRW-VXNVDRBHSA-N 1 0 236.275 1.224 10 5 BDBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)cn1 ZINC000044493061 345096103 /nfs/dbraw/zinc/09/61/03/345096103.db2.gz BGFKGKLIKNCIQF-VIFPVBQESA-N 1 0 236.275 1.544 10 5 BDBERO Cc1ccc([N+](=O)[O-])cc1NC1CC([NH3+])C1 ZINC000053734863 178932449 /nfs/dbraw/zinc/93/24/49/178932449.db2.gz LSDYBZUPQQPMKU-UHFFFAOYSA-N 1 0 221.260 1.805 10 5 BDBERO Cc1ccc([N+](=O)[O-])cc1N[C@H]1CC[NH2+]C1 ZINC000053734949 178932964 /nfs/dbraw/zinc/93/29/64/178932964.db2.gz YUHLYUPHNOHZEE-VIFPVBQESA-N 1 0 221.260 1.677 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NCCC[NH3+] ZINC000034287975 346241761 /nfs/dbraw/zinc/24/17/61/346241761.db2.gz NZIPKFWMGICDKL-UHFFFAOYSA-N 1 0 210.237 1.059 10 5 BDBERO Cc1cccc(NCCC[NH3+])c1[N+](=O)[O-] ZINC000033817836 179144489 /nfs/dbraw/zinc/14/44/89/179144489.db2.gz OBXJFPFOIVUTFZ-UHFFFAOYSA-N 1 0 209.249 1.664 10 5 BDBERO [NH3+]Cc1ccc(F)c([N+](=O)[O-])c1Br ZINC000307092240 351473279 /nfs/dbraw/zinc/47/32/79/351473279.db2.gz YSRWYVNBWSLPJA-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO [NH3+][C@@H](CCO)c1ccc(F)c([N+](=O)[O-])c1 ZINC000044234244 352223059 /nfs/dbraw/zinc/22/30/59/352223059.db2.gz IEGHNTSKXGRZCX-QMMMGPOBSA-N 1 0 214.196 1.116 10 5 BDBERO [NH3+]Cc1cc(Br)cc(F)c1[N+](=O)[O-] ZINC000307557690 352649618 /nfs/dbraw/zinc/64/96/18/352649618.db2.gz BYINJBYDMMCREQ-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO COc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH3+])c1 ZINC000420209265 192175689 /nfs/dbraw/zinc/17/56/89/192175689.db2.gz BVOIOGTXXCHKTC-MRVPVSSYSA-N 1 0 239.275 1.610 10 5 BDBERO C[C@@H](C[NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000420222889 192177343 /nfs/dbraw/zinc/17/73/43/192177343.db2.gz YHZDRVWVWWMDKL-LURJTMIESA-N 1 0 245.229 1.880 10 5 BDBERO Cc1cnc(N[C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000309432471 188344707 /nfs/dbraw/zinc/34/47/07/188344707.db2.gz JTGIMRBHKMLSHK-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO CCCC[C@H](C[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000130546885 363240453 /nfs/dbraw/zinc/24/04/53/363240453.db2.gz CHDFXECLAQUTSG-SECBINFHSA-N 1 0 238.291 1.919 10 5 BDBERO NC(=[NH2+])SCc1ccccc1[N+](=O)[O-] ZINC000005438219 181192925 /nfs/dbraw/zinc/19/29/25/181192925.db2.gz ABPWMGVYVHQCRO-UHFFFAOYSA-N 1 0 211.246 1.721 10 5 BDBERO Cc1ccc(NC2=[NH+]CCN2)cc1[N+](=O)[O-] ZINC000675073147 538505201 /nfs/dbraw/zinc/50/52/01/538505201.db2.gz SCPVEBRYEFGMHL-UHFFFAOYSA-N 1 0 220.232 1.274 10 5 BDBERO Cc1ccc2c(c1[N+](=O)[O-])CC[C@H]1C[NH2+]CCN21 ZINC000584619295 358285778 /nfs/dbraw/zinc/28/57/78/358285778.db2.gz URLBGMJETVSEPB-JTQLQIEISA-N 1 0 247.298 1.628 10 5 BDBERO Cc1cc(N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000132004508 358704607 /nfs/dbraw/zinc/70/46/07/358704607.db2.gz NJCKYTOXRVDODM-LLVKDONJSA-N 1 0 235.287 1.831 10 5 BDBERO [NH3+]C1CC(Nc2ccccc2[N+](=O)[O-])C1 ZINC000036268799 181340301 /nfs/dbraw/zinc/34/03/01/181340301.db2.gz FUCCDAHFNZESSP-UHFFFAOYSA-N 1 0 207.233 1.496 10 5 BDBERO CCN(CC[NH3+])c1cc(C)ccc1[N+](=O)[O-] ZINC000122834499 363886601 /nfs/dbraw/zinc/88/66/01/363886601.db2.gz AUBCONGLBYVSGU-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO [NH3+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037018414 181369461 /nfs/dbraw/zinc/36/94/61/181369461.db2.gz RILUZGBBHJTGTI-UHFFFAOYSA-N 1 0 243.650 1.536 10 5 BDBERO [NH3+]CCc1cc(Br)cc([N+](=O)[O-])n1 ZINC000095767792 181411794 /nfs/dbraw/zinc/41/17/94/181411794.db2.gz SZGRSTYMGVLOON-UHFFFAOYSA-N 1 0 246.064 1.254 10 5 BDBERO [NH3+]C[C@@H]1C[C@@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000675060746 541464092 /nfs/dbraw/zinc/46/40/92/541464092.db2.gz OCWFFCZMDLWKKY-KOLCDFICSA-N 1 0 222.244 1.426 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000082579273 371011181 /nfs/dbraw/zinc/01/11/81/371011181.db2.gz WDOHACHAWTVGEU-MRVPVSSYSA-N 1 0 227.239 1.883 10 5 BDBERO [NH3+][C@H]1CCCc2cccc([N+](=O)[O-])c2[C@@H]1O ZINC000019795522 371189132 /nfs/dbraw/zinc/18/91/32/371189132.db2.gz MKEDQBNDGNDAAP-GZMMTYOYSA-N 1 0 222.244 1.292 10 5 BDBERO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600961246 371716522 /nfs/dbraw/zinc/71/65/22/371716522.db2.gz OLBRVOAFICEXDW-NXEZZACHSA-N 1 0 235.287 1.626 10 5 BDBERO C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000082575949 384394561 /nfs/dbraw/zinc/39/45/61/384394561.db2.gz CTZTXIOYNFVTJM-ZCFIWIBFSA-N 1 0 213.212 1.493 10 5 BDBERO O=[N+]([O-])c1cc(Cl)cnc1NC1C[NH2+]C1 ZINC000149445645 385682133 /nfs/dbraw/zinc/68/21/33/385682133.db2.gz IQOYUQUPRDQIIZ-UHFFFAOYSA-N 1 0 228.639 1.027 10 5 BDBERO C[C@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000307447645 386657506 /nfs/dbraw/zinc/65/75/06/386657506.db2.gz YCDVEIJKGWXKAH-WHFBIAKZSA-N 1 0 216.266 1.199 10 5 BDBERO [NH3+][C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000094356931 387051754 /nfs/dbraw/zinc/05/17/54/387051754.db2.gz RDCHNWHAWMMMFC-ZETCQYMHSA-N 1 0 248.242 1.273 10 5 BDBERO CCOc1cc([N+](=O)[O-])c(OCC)cc1C[NH3+] ZINC000575721289 387443358 /nfs/dbraw/zinc/44/33/58/387443358.db2.gz IMOGDVLQLKOORC-UHFFFAOYSA-N 1 0 240.259 1.851 10 5 BDBERO O=[N+]([O-])c1cc(CN2CC[NH2+]CC2)ccc1F ZINC000057529650 388361533 /nfs/dbraw/zinc/36/15/33/388361533.db2.gz JNWVFOQMIIJNAR-UHFFFAOYSA-N 1 0 239.250 1.139 10 5 BDBERO [NH3+]C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052121004 132361930 /nfs/dbraw/zinc/36/19/30/132361930.db2.gz FTTWVISTKGKHHR-UHFFFAOYSA-N 1 0 239.250 1.661 10 5 BDBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000070010608 134907077 /nfs/dbraw/zinc/90/70/77/134907077.db2.gz WTSOCQQYDSSLBW-VIFPVBQESA-N 1 0 224.264 1.385 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000261564548 135206907 /nfs/dbraw/zinc/20/69/07/135206907.db2.gz XSFHVQVUPHZNNI-DTWKUNHWSA-N 1 0 236.275 1.224 10 5 BDBERO C[C@@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC000336726949 397949569 /nfs/dbraw/zinc/94/95/69/397949569.db2.gz VQMLLPGFJRBNJT-QMMMGPOBSA-N 1 0 239.279 1.314 10 5 BDBERO CNC(=O)OCc1ccc([N+](C)(C)C)cc1 ZINC000005700386 173293442 /nfs/dbraw/zinc/29/34/42/173293442.db2.gz UURGYDLWSSFFAI-UHFFFAOYSA-O 1 0 223.296 1.739 10 5 BDBERO C[NH2+]CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000034979675 173334202 /nfs/dbraw/zinc/33/42/02/173334202.db2.gz XMSMKBDRWDIOGQ-UHFFFAOYSA-N 1 0 223.232 1.061 10 5 BDBERO COc1cc2c(c([N+](=O)[O-])c1OC)CC[NH2+]C2 ZINC000068591444 175020538 /nfs/dbraw/zinc/02/05/38/175020538.db2.gz IRMDQYGUJAOOAJ-UHFFFAOYSA-N 1 0 238.243 1.258 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1[C@H]1CC[NH2+]C1 ZINC000090548040 175201272 /nfs/dbraw/zinc/20/12/72/175201272.db2.gz YVIRXUDINPAEQQ-QMMMGPOBSA-N 1 0 222.244 1.680 10 5 BDBERO C[C@H](C[NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000054339261 176657474 /nfs/dbraw/zinc/65/74/74/176657474.db2.gz RUBVCKSUEUVDQA-SSDOTTSWSA-N 1 0 223.232 1.128 10 5 BDBERO C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000038087044 177034918 /nfs/dbraw/zinc/03/49/18/177034918.db2.gz ADCNPUARXACKGZ-LLVKDONJSA-N 1 0 249.314 1.951 10 5 BDBERO CC[C@@H]1Oc2c(cc(OC)cc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757175904 582553052 /nfs/dbraw/zinc/55/30/52/582553052.db2.gz OXSNMOIEELZMFM-UWVGGRQHSA-N 1 0 238.243 1.774 10 5 BDBERO [NH3+]CCCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000100675020 583939401 /nfs/dbraw/zinc/93/94/01/583939401.db2.gz DNROBGVRYYMVES-UHFFFAOYSA-N 1 0 238.291 1.921 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CC[NH2+]C1 ZINC000133783286 591857642 /nfs/dbraw/zinc/85/76/42/591857642.db2.gz RRWIIHPBFXRAGM-QMMMGPOBSA-N 1 0 239.250 1.755 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H](C)[NH3+] ZINC000309417733 632049432 /nfs/dbraw/zinc/04/94/32/632049432.db2.gz JSYURIOQHYASBZ-QMMMGPOBSA-N 1 0 224.264 1.082 10 5 BDBERO C[C@H](C[NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054158800 635776347 /nfs/dbraw/zinc/77/63/47/635776347.db2.gz KBRWRVBTZFUSTC-SSDOTTSWSA-N 1 0 248.242 1.707 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235363135 632677728 /nfs/dbraw/zinc/67/77/28/632677728.db2.gz BGLLIZPERSJLPM-KCJUWKMLSA-N 1 0 221.260 1.378 10 5 BDBERO [NH3+][C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000310424434 632737709 /nfs/dbraw/zinc/73/77/09/632737709.db2.gz RFYPPSAKGBYEFX-DTWKUNHWSA-N 1 0 236.275 1.529 10 5 BDBERO Cc1ccnc(N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000309452028 633085785 /nfs/dbraw/zinc/08/57/85/633085785.db2.gz RFFHQMUUIMJJNH-MRVPVSSYSA-N 1 0 224.264 1.082 10 5 BDBERO COC1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230689469 633156743 /nfs/dbraw/zinc/15/67/43/633156743.db2.gz XKBKIHHQDOIYBO-UHFFFAOYSA-N 1 0 242.300 1.923 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH3+])n1 ZINC000088036531 641151232 /nfs/dbraw/zinc/15/12/32/641151232.db2.gz LRDKHPWAKYISAV-ZCFIWIBFSA-N 1 0 210.237 1.057 10 5 BDBERO C[NH2+]CCN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000234371338 642447019 /nfs/dbraw/zinc/44/70/19/642447019.db2.gz SIRLJODTYXJMMN-UHFFFAOYSA-N 1 0 245.229 1.529 10 5 BDBERO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000071148191 643103655 /nfs/dbraw/zinc/10/36/55/643103655.db2.gz RSLGETBKZLKQIH-LLVKDONJSA-N 1 0 249.314 1.949 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000071311740 643122840 /nfs/dbraw/zinc/12/28/40/643122840.db2.gz JZZVRTKNFSAREH-VIFPVBQESA-N 1 0 239.250 1.532 10 5 BDBERO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000050244109 643658174 /nfs/dbraw/zinc/65/81/74/643658174.db2.gz PDHCFPJKIYJUSY-SSDOTTSWSA-N 1 0 225.223 1.271 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000706535246 712149362 /nfs/dbraw/zinc/14/93/62/712149362.db2.gz NOJMOKFNIXQIRT-SSDOTTSWSA-N 1 0 227.239 1.754 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000708838146 712200796 /nfs/dbraw/zinc/20/07/96/712200796.db2.gz BKQMSSYASCKQOT-ZJUUUORDSA-N 1 0 235.287 1.626 10 5 BDBERO Cc1cnc(NC[C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000715082916 712506955 /nfs/dbraw/zinc/50/69/55/712506955.db2.gz TYIOMMDGWKBKNR-DTORHVGOSA-N 1 0 236.275 1.447 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NCC2CC([NH3+])C2)n1 ZINC000715097762 712508477 /nfs/dbraw/zinc/50/84/77/712508477.db2.gz UVRGRKMTCQPXRX-UHFFFAOYSA-N 1 0 236.275 1.447 10 5 BDBERO C[NH2+]CCN(c1ncc([N+](=O)[O-])s1)C(C)C ZINC000720796923 712866459 /nfs/dbraw/zinc/86/64/59/712866459.db2.gz BIYRPUXRRUTVNI-UHFFFAOYSA-N 1 0 244.320 1.486 10 5 BDBERO CC(=O)OCC[N+](C)(C)Cc1ccccc1 ZINC000002010692 717092827 /nfs/dbraw/zinc/09/28/27/717092827.db2.gz VXLCSWZJLRTYDR-UHFFFAOYSA-N 1 0 222.308 1.826 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000600957832 398212044 /nfs/dbraw/zinc/21/20/44/398212044.db2.gz UVZRMNKTNCQIGA-WCBMZHEXSA-N 1 0 236.275 1.461 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000320320420 342733209 /nfs/dbraw/zinc/73/32/09/342733209.db2.gz KWYJGSAWZUUROV-APPZFPTMSA-N 1 0 238.291 1.836 10 5 BDBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946301 343013143 /nfs/dbraw/zinc/01/31/43/343013143.db2.gz OZCLABNFZKPLPK-UHFFFAOYSA-N 1 0 246.270 1.650 10 5 BDBERO [NH3+]Cc1c([N+](=O)[O-])ccnc1OC(F)(F)F ZINC000309183541 346977560 /nfs/dbraw/zinc/97/75/60/346977560.db2.gz GQQQEILSVLAHEO-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO Cc1cc(NC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000084418613 344428943 /nfs/dbraw/zinc/42/89/43/344428943.db2.gz BLUSKTDVDCMLQK-UHFFFAOYSA-N 1 0 207.233 1.287 10 5 BDBERO C[C@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C[NH2+]1 ZINC000600955864 344401933 /nfs/dbraw/zinc/40/19/33/344401933.db2.gz STPAQCXHXVWULH-DTWKUNHWSA-N 1 0 236.275 1.542 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000381348849 344496277 /nfs/dbraw/zinc/49/62/77/344496277.db2.gz HLRVPLNCOOPBEJ-HTQZYQBOSA-N 1 0 239.275 1.751 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)[NH3+] ZINC000381335980 344496461 /nfs/dbraw/zinc/49/64/61/344496461.db2.gz CXVGAGHUJYJAIV-RQJHMYQMSA-N 1 0 241.295 1.267 10 5 BDBERO Cc1ccc(N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071311890 178700391 /nfs/dbraw/zinc/70/03/91/178700391.db2.gz CNKWDTXTKMQHDP-JTQLQIEISA-N 1 0 235.287 1.701 10 5 BDBERO O=[N+]([O-])c1cc2c(cc1[C@H]1CC[NH2+]1)OCO2 ZINC000044257321 344995900 /nfs/dbraw/zinc/99/59/00/344995900.db2.gz VTNNGPNSRXTCOK-SSDOTTSWSA-N 1 0 222.200 1.358 10 5 BDBERO Cc1cc(NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000082575518 345440729 /nfs/dbraw/zinc/44/07/29/345440729.db2.gz OJEJTDILVHPNRW-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000601327559 345770764 /nfs/dbraw/zinc/77/07/64/345770764.db2.gz WPFIYKTURMKEHX-PWSUYJOCSA-N 1 0 249.314 1.621 10 5 BDBERO CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000389400785 345930755 /nfs/dbraw/zinc/93/07/55/345930755.db2.gz POBYRTILIPNTLE-JTQLQIEISA-N 1 0 236.275 1.496 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000596032173 348427239 /nfs/dbraw/zinc/42/72/39/348427239.db2.gz IBBAJFVEPYGTMG-QMMMGPOBSA-N 1 0 209.249 1.615 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000596032189 348427367 /nfs/dbraw/zinc/42/73/67/348427367.db2.gz IOUXGKMUHRBZAN-ZCFIWIBFSA-N 1 0 245.229 1.893 10 5 BDBERO C[NH2+]C[C@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000596034299 348427813 /nfs/dbraw/zinc/42/78/13/348427813.db2.gz YMPNWELOCLJVMZ-QMMMGPOBSA-N 1 0 239.275 1.623 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000596033688 348427999 /nfs/dbraw/zinc/42/79/99/348427999.db2.gz VAMZMJPREJQBLQ-MRVPVSSYSA-N 1 0 239.275 1.623 10 5 BDBERO C[C@@H]([NH3+])CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772146 362980677 /nfs/dbraw/zinc/98/06/77/362980677.db2.gz VVOOUQPSNJQVAF-SSDOTTSWSA-N 1 0 249.274 1.620 10 5 BDBERO COc1cc(N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000382980227 351121192 /nfs/dbraw/zinc/12/11/92/351121192.db2.gz XLHJDIYIQVCGRL-MRVPVSSYSA-N 1 0 239.275 1.387 10 5 BDBERO Cc1cc(N(C)[C@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000383001618 351162785 /nfs/dbraw/zinc/16/27/85/351162785.db2.gz UOMPLHLXOJVKON-MRVPVSSYSA-N 1 0 224.264 1.082 10 5 BDBERO Cc1nc(N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000382997483 351162796 /nfs/dbraw/zinc/16/27/96/351162796.db2.gz MIAQLYBOEIMNNP-SSDOTTSWSA-N 1 0 224.264 1.082 10 5 BDBERO CC(=O)O[C@@H]1CC[N@+](C)(Cc2ccccc2)C1 ZINC000255993771 187571232 /nfs/dbraw/zinc/57/12/32/187571232.db2.gz PANOIMCJTIWCAF-HUUCEWRRSA-N 1 0 234.319 1.969 10 5 BDBERO CC(C)C[C@@H](C[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000111830442 188358244 /nfs/dbraw/zinc/35/82/44/188358244.db2.gz QSQVVCGPLLUQCL-VIFPVBQESA-N 1 0 238.291 1.775 10 5 BDBERO O=[N+]([O-])c1ccc(C=C2C[NH2+]C2)cc1F ZINC000675056215 538477605 /nfs/dbraw/zinc/47/76/05/538477605.db2.gz LWAIGBHFPHYQGK-UHFFFAOYSA-N 1 0 208.192 1.721 10 5 BDBERO [NH3+]C[C@H]1CC[C@@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000675060238 538485979 /nfs/dbraw/zinc/48/59/79/538485979.db2.gz CKGGDLMXVRCDFF-ZYHUDNBSSA-N 1 0 236.271 1.816 10 5 BDBERO [NH3+]C[C@H]1C[C@@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000675060283 538486000 /nfs/dbraw/zinc/48/60/00/538486000.db2.gz DQCAIBCECIHFTH-RKDXNWHRSA-N 1 0 222.244 1.426 10 5 BDBERO [NH3+]CCC[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000584635629 358320170 /nfs/dbraw/zinc/32/01/70/358320170.db2.gz CMJCIMJGYVHKRZ-SNVBAGLBSA-N 1 0 210.233 1.367 10 5 BDBERO [NH3+]CCCC[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000584637542 358322969 /nfs/dbraw/zinc/32/29/69/358322969.db2.gz AJCJJWSVZSLHPZ-NSHDSACASA-N 1 0 224.260 1.757 10 5 BDBERO O=[N+]([O-])c1ccc(NCC[NH2+]C2CC2)cn1 ZINC000054267825 359760789 /nfs/dbraw/zinc/76/07/89/359760789.db2.gz VUPMQTARTNAAHY-UHFFFAOYSA-N 1 0 222.248 1.154 10 5 BDBERO [NH3+][C@H](CF)c1ccc(F)cc1[N+](=O)[O-] ZINC000238684996 361179155 /nfs/dbraw/zinc/17/91/55/361179155.db2.gz SVWCKANNPSDHOP-SSDOTTSWSA-N 1 0 202.160 1.703 10 5 BDBERO [NH3+]CCCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000050283567 181388044 /nfs/dbraw/zinc/38/80/44/181388044.db2.gz LZTOFIUPFVGJFT-UHFFFAOYSA-N 1 0 248.242 1.536 10 5 BDBERO [NH3+]C[C@H]1CC[C@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000675060923 541464164 /nfs/dbraw/zinc/46/41/64/541464164.db2.gz RXPXBRIDPBZFFZ-VHSXEESVSA-N 1 0 236.271 1.816 10 5 BDBERO Cc1nc(NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000113702818 370454355 /nfs/dbraw/zinc/45/43/55/370454355.db2.gz SXLXDMWJKNMHCB-UHFFFAOYSA-N 1 0 236.275 1.462 10 5 BDBERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000600957390 371713629 /nfs/dbraw/zinc/71/36/29/371713629.db2.gz PLRSTUCGDPVIMO-IONNQARKSA-N 1 0 239.250 1.896 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000600960270 371718252 /nfs/dbraw/zinc/71/82/52/371718252.db2.gz CDEWNZXZHLPLMJ-WDEREUQCSA-N 1 0 249.314 1.934 10 5 BDBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCOC2)o1 ZINC000038044855 182930412 /nfs/dbraw/zinc/93/04/12/182930412.db2.gz VYNISPPXTWJJRE-SECBINFHSA-N 1 0 240.259 1.704 10 5 BDBERO O=[N+]([O-])c1ccc(F)cc1OC1C[NH2+]C1 ZINC000054931710 182933586 /nfs/dbraw/zinc/93/35/86/182933586.db2.gz LIQYBMQIQYQBLK-UHFFFAOYSA-N 1 0 212.180 1.085 10 5 BDBERO [NH3+][C@@H](CO)c1cc([N+](=O)[O-])ccc1Cl ZINC000072198305 384815654 /nfs/dbraw/zinc/81/56/54/384815654.db2.gz BGKOFTZMXDWODY-QMMMGPOBSA-N 1 0 216.624 1.240 10 5 BDBERO C[N+](C)(C)CCOC(=O)c1ccccc1O ZINC000002570180 386680803 /nfs/dbraw/zinc/68/08/03/386680803.db2.gz LSFAFOLAGDKMME-UHFFFAOYSA-O 1 0 224.280 1.255 10 5 BDBERO C[C@@H](C[NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000336673882 386841170 /nfs/dbraw/zinc/84/11/70/386841170.db2.gz OVLFRRCVBODZIJ-ZETCQYMHSA-N 1 0 227.239 1.741 10 5 BDBERO [NH3+]CCC[C@H]([NH3+])c1cc([N+](=O)[O-])ccc1Cl ZINC000575438515 387131491 /nfs/dbraw/zinc/13/14/91/387131491.db2.gz KETWEKDJAJBHLO-JTQLQIEISA-N 1 0 243.694 1.987 10 5 BDBERO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000116942510 388718407 /nfs/dbraw/zinc/71/84/07/388718407.db2.gz PWQNQRVECCCFRR-JTQLQIEISA-N 1 0 235.287 1.701 10 5 BDBERO CC(C)C[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000226780652 134368900 /nfs/dbraw/zinc/36/89/00/134368900.db2.gz FRGIADSASWJTHQ-ZETCQYMHSA-N 1 0 244.320 1.837 10 5 BDBERO COc1cc(NCCC[NH3+])ccc1[N+](=O)[O-] ZINC000082523319 135438958 /nfs/dbraw/zinc/43/89/58/135438958.db2.gz GEWLKJLLXRMIGE-UHFFFAOYSA-N 1 0 225.248 1.364 10 5 BDBERO Cc1cnc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000085426567 135484161 /nfs/dbraw/zinc/48/41/61/135484161.db2.gz ZATIISKFDCDBIB-UHFFFAOYSA-N 1 0 210.237 1.059 10 5 BDBERO CCN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000336889497 170020668 /nfs/dbraw/zinc/02/06/68/170020668.db2.gz GFLCSXFIPYVWLE-LBPRGKRZSA-N 1 0 249.314 1.779 10 5 BDBERO CC[NH2+]CCNc1cccc(F)c1[N+](=O)[O-] ZINC000054267356 170116398 /nfs/dbraw/zinc/11/63/98/170116398.db2.gz FGOHBRZTQUZISG-UHFFFAOYSA-N 1 0 227.239 1.755 10 5 BDBERO CC[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083353730 170127351 /nfs/dbraw/zinc/12/73/51/170127351.db2.gz QAEQIZRCCXSRPT-UHFFFAOYSA-N 1 0 225.204 1.613 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000042375199 173125764 /nfs/dbraw/zinc/12/57/64/173125764.db2.gz QODMPSNCFDSKJO-MRVPVSSYSA-N 1 0 222.248 1.106 10 5 BDBERO COc1ccc([N+](=O)[O-])cc1OCCC(N)=[NH2+] ZINC000038081398 175200933 /nfs/dbraw/zinc/20/09/33/175200933.db2.gz CCDQHAACNRBUSV-UHFFFAOYSA-N 1 0 239.231 1.308 10 5 BDBERO [NH3+]C[C@@H]1CC[C@H](c2ccccc2[N+](=O)[O-])CO1 ZINC000536958673 323970227 /nfs/dbraw/zinc/97/02/27/323970227.db2.gz RXPXBRIDPBZFFZ-UWVGGRQHSA-N 1 0 236.271 1.816 10 5 BDBERO C[NH2+][C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000129134725 591259907 /nfs/dbraw/zinc/25/99/07/591259907.db2.gz OCWYJTNMTAVDBQ-SNVBAGLBSA-N 1 0 235.287 1.701 10 5 BDBERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cc1 ZINC000216219901 592014663 /nfs/dbraw/zinc/01/46/63/592014663.db2.gz CVEZGTNMCPZCPU-ZJUUUORDSA-N 1 0 235.287 1.768 10 5 BDBERO C[C@H](O)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000308972000 631775515 /nfs/dbraw/zinc/77/55/15/631775515.db2.gz ADYLXXYPXDXEAX-BQBZGAKWSA-N 1 0 230.289 1.515 10 5 BDBERO Cc1cc(N(C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000309195736 632757089 /nfs/dbraw/zinc/75/70/89/632757089.db2.gz LFRZQQILRYTKEU-VIFPVBQESA-N 1 0 223.276 1.687 10 5 BDBERO CCN(c1ncc([N+](=O)[O-])s1)[C@H]1CC[NH2+]C1 ZINC000226780327 644150004 /nfs/dbraw/zinc/15/00/04/644150004.db2.gz YGWOEZGKEYLBNY-ZETCQYMHSA-N 1 0 242.304 1.240 10 5 BDBERO CC1(C)C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000721934852 710692984 /nfs/dbraw/zinc/69/29/84/710692984.db2.gz RGKDODAFHKYJHQ-ZCFIWIBFSA-N 1 0 242.304 1.461 10 5 BDBERO [NH3+]CC[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000723672127 711533306 /nfs/dbraw/zinc/53/33/06/711533306.db2.gz JKNNHTSSPKEYQL-VIFPVBQESA-N 1 0 236.275 1.165 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000721858143 711791781 /nfs/dbraw/zinc/79/17/81/711791781.db2.gz CYQOXYXYWQEMRZ-MWLCHTKSSA-N 1 0 235.287 1.923 10 5 BDBERO CC1(C)C[NH2+]C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000721862280 711792020 /nfs/dbraw/zinc/79/20/20/711792020.db2.gz FSVOFDNERJAJLH-VIFPVBQESA-N 1 0 236.275 1.400 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708853104 712201087 /nfs/dbraw/zinc/20/10/87/712201087.db2.gz DFODNFGXCAHRCD-QWRGUYRKSA-N 1 0 249.314 1.934 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NCC1CC([NH3+])C1 ZINC000715096684 712508362 /nfs/dbraw/zinc/50/83/62/712508362.db2.gz NYQQOCYLMIEBMN-UHFFFAOYSA-N 1 0 236.275 1.447 10 5 BDBERO Cc1ccnc(NCC2CC([NH3+])C2)c1[N+](=O)[O-] ZINC000715097708 712508521 /nfs/dbraw/zinc/50/85/21/712508521.db2.gz TVDIBPFCRYHEHC-UHFFFAOYSA-N 1 0 236.275 1.447 10 5 BDBERO C[C@@H]1CC[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408256531 136212999 /nfs/dbraw/zinc/21/29/99/136212999.db2.gz NPBLOCWWDLULPR-DTORHVGOSA-N 1 0 238.291 1.701 10 5 BDBERO Cc1cc(NC(=O)[C@H](C)[NH3+])c([N+](=O)[O-])cc1C ZINC000050439785 178146399 /nfs/dbraw/zinc/14/63/99/178146399.db2.gz HOOZZOOVCZZYRQ-QMMMGPOBSA-N 1 0 237.259 1.497 10 5 BDBERO Cc1cc(OCCC[NH3+])ccc1[N+](=O)[O-] ZINC000021993592 178210993 /nfs/dbraw/zinc/21/09/93/178210993.db2.gz VQJWLTWHOFIAOB-UHFFFAOYSA-N 1 0 210.233 1.631 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC1CC([NH3+])C1 ZINC000052812990 178274466 /nfs/dbraw/zinc/27/44/66/178274466.db2.gz GEJBLSGOFOTCQJ-UHFFFAOYSA-N 1 0 222.248 1.200 10 5 BDBERO CCOc1cccc(NCCC[NH3+])c1[N+](=O)[O-] ZINC000134894085 342920586 /nfs/dbraw/zinc/92/05/86/342920586.db2.gz JOOMQCACTVCBMZ-UHFFFAOYSA-N 1 0 239.275 1.754 10 5 BDBERO O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]cn2)c1 ZINC000045946312 343013445 /nfs/dbraw/zinc/01/34/45/343013445.db2.gz MUVGMHCPHAJZDV-UHFFFAOYSA-N 1 0 246.270 1.650 10 5 BDBERO Cc1nn([C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000584881641 343082905 /nfs/dbraw/zinc/08/29/05/343082905.db2.gz YPWLRFNTDRKHFC-MRVPVSSYSA-N 1 0 210.237 1.024 10 5 BDBERO C[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C[NH2+]1 ZINC000600955865 344401995 /nfs/dbraw/zinc/40/19/95/344401995.db2.gz STPAQCXHXVWULH-IUCAKERBSA-N 1 0 236.275 1.542 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381597770 344525920 /nfs/dbraw/zinc/52/59/20/344525920.db2.gz MQGMHHOMMPAISQ-JGVFFNPUSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@@H]([NH3+])[C@H](C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000381690516 344535279 /nfs/dbraw/zinc/53/52/79/344535279.db2.gz FJZSUOJXEBIXMC-RQJHMYQMSA-N 1 0 249.274 1.041 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000600960264 344565524 /nfs/dbraw/zinc/56/55/24/344565524.db2.gz CDEWNZXZHLPLMJ-MNOVXSKESA-N 1 0 249.314 1.934 10 5 BDBERO Cc1cc(N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000050249490 344663960 /nfs/dbraw/zinc/66/39/60/344663960.db2.gz FHRIVCMCQBEOCG-SNVBAGLBSA-N 1 0 235.287 1.688 10 5 BDBERO Cc1cccc(N2C[C@@H](C[NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000600962615 344816941 /nfs/dbraw/zinc/81/69/41/344816941.db2.gz ZSVJPHOXXNLFOY-GHMZBOCLSA-N 1 0 249.314 1.934 10 5 BDBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000600963101 344860617 /nfs/dbraw/zinc/86/06/17/344860617.db2.gz RXIHVDPCVPAIRZ-APPZFPTMSA-N 1 0 239.250 1.660 10 5 BDBERO Cc1cc(N2C[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000600963668 344948319 /nfs/dbraw/zinc/94/83/19/344948319.db2.gz YHWGIHSMIYKPCI-NXEZZACHSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+][C@@H](CCO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044232572 344988210 /nfs/dbraw/zinc/98/82/10/344988210.db2.gz NLXWQQHLGYHRAO-QMMMGPOBSA-N 1 0 230.651 1.630 10 5 BDBERO [NH3+][C@H](CCO)c1ccc(F)c([N+](=O)[O-])c1 ZINC000044234239 344989028 /nfs/dbraw/zinc/98/90/28/344989028.db2.gz IEGHNTSKXGRZCX-MRVPVSSYSA-N 1 0 214.196 1.116 10 5 BDBERO CC[C@H]([NH3+])CNc1nccc(C)c1[N+](=O)[O-] ZINC000070062918 345321513 /nfs/dbraw/zinc/32/15/13/345321513.db2.gz WAEZBQSMFPUBRD-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1cccc(OCCCC(N)=[NH2+])c1[N+](=O)[O-] ZINC000038081900 179164383 /nfs/dbraw/zinc/16/43/83/179164383.db2.gz GDTGURIAHUQLRJ-UHFFFAOYSA-N 1 0 237.259 1.998 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000596032177 348427412 /nfs/dbraw/zinc/42/74/12/348427412.db2.gz IGBPSMMONZBRRD-SECBINFHSA-N 1 0 223.276 1.923 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000596033788 348427826 /nfs/dbraw/zinc/42/78/26/348427826.db2.gz WFYMMCUBLSSADH-MRVPVSSYSA-N 1 0 209.249 1.615 10 5 BDBERO Cc1cnc(N[C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000310356710 179641030 /nfs/dbraw/zinc/64/10/30/179641030.db2.gz RASHHYDVCWYEJG-SECBINFHSA-N 1 0 238.291 1.838 10 5 BDBERO Cc1nn([C@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000043501482 180393484 /nfs/dbraw/zinc/39/34/84/180393484.db2.gz MYMYTKUTZZFRTD-VIFPVBQESA-N 1 0 224.264 1.333 10 5 BDBERO CC(C)C[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC000111830700 191134056 /nfs/dbraw/zinc/13/40/56/191134056.db2.gz XRHYTQPJYUBXPE-MRVPVSSYSA-N 1 0 239.279 1.170 10 5 BDBERO [NH3+]Cc1c(F)ccc([N+](=O)[O-])c1Br ZINC000307160735 351519183 /nfs/dbraw/zinc/51/91/83/351519183.db2.gz KAQSBAOMWPZRHG-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO NC(=[NH2+])CCOc1c(F)cccc1[N+](=O)[O-] ZINC000075881279 181186634 /nfs/dbraw/zinc/18/66/34/181186634.db2.gz NYEBWWUDVWLIFM-UHFFFAOYSA-N 1 0 227.195 1.439 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH3+])n1 ZINC000420216877 192192539 /nfs/dbraw/zinc/19/25/39/192192539.db2.gz NGKDIGSRTQUEFI-SSDOTTSWSA-N 1 0 224.264 1.305 10 5 BDBERO C[C@@H](C[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000420249248 192186867 /nfs/dbraw/zinc/18/68/67/192186867.db2.gz RBZLHUOLFDVQRW-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO COC(=O)[C@@H]1CCC[C@H]([N+](C)(C)C)C1 ZINC000584630824 358301808 /nfs/dbraw/zinc/30/18/08/358301808.db2.gz OVULEMZVEBYETR-ZJUUUORDSA-N 1 0 200.302 1.424 10 5 BDBERO [NH2+]=c1ccn(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000584635671 358320070 /nfs/dbraw/zinc/32/00/70/358320070.db2.gz SKIDLSXSZKBOCT-UHFFFAOYSA-N 1 0 232.199 1.113 10 5 BDBERO CCN(CC[NH3+])c1nccc(C)c1[N+](=O)[O-] ZINC000122820284 363832736 /nfs/dbraw/zinc/83/27/36/363832736.db2.gz VKLUZTFVOIOOLN-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO [NH3+]CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000037981879 181385046 /nfs/dbraw/zinc/38/50/46/181385046.db2.gz DNDRJTFEZZCQDW-UHFFFAOYSA-N 1 0 214.196 1.462 10 5 BDBERO [NH3+]CCOc1c(F)cccc1[N+](=O)[O-] ZINC000083343318 181399252 /nfs/dbraw/zinc/39/92/52/181399252.db2.gz GOBYGWBKODMSLZ-UHFFFAOYSA-N 1 0 200.169 1.071 10 5 BDBERO [NH3+]CCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000051870298 181399357 /nfs/dbraw/zinc/39/93/57/181399357.db2.gz HQOLRGXRUDVCMR-UHFFFAOYSA-N 1 0 200.169 1.071 10 5 BDBERO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000070500304 181440989 /nfs/dbraw/zinc/44/09/89/181440989.db2.gz VLMHURFSNRZKGD-GHMZBOCLSA-N 1 0 222.244 1.020 10 5 BDBERO O=[N+]([O-])c1ccccc1C[NH2+]CC1CC(O)C1 ZINC000091525899 369425312 /nfs/dbraw/zinc/42/53/12/369425312.db2.gz TZRKGZGHLVLXOO-UHFFFAOYSA-N 1 0 236.271 1.455 10 5 BDBERO CC(C)[C@@H]([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000070010684 371001429 /nfs/dbraw/zinc/00/14/29/371001429.db2.gz DIXOGQROUFTPOT-QMMMGPOBSA-N 1 0 224.264 1.385 10 5 BDBERO Cc1cnc(N[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000600956680 371715047 /nfs/dbraw/zinc/71/50/47/371715047.db2.gz FSQVDKZMMNIUFE-DTWKUNHWSA-N 1 0 236.275 1.461 10 5 BDBERO C[NH2+][C@H](C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304311655 371777831 /nfs/dbraw/zinc/77/78/31/371777831.db2.gz DBCHHDMGZKKHQP-ZCFIWIBFSA-N 1 0 244.682 1.663 10 5 BDBERO O=[N+]([O-])c1ccc(F)cc1CO[C@@H]1CC[NH2+]C1 ZINC000051782608 182931832 /nfs/dbraw/zinc/93/18/32/182931832.db2.gz YVTOYQGRQDIAKL-SNVBAGLBSA-N 1 0 240.234 1.612 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)s1 ZINC000082371719 182934050 /nfs/dbraw/zinc/93/40/50/182934050.db2.gz FVEXWACBLUMISR-UHFFFAOYSA-N 1 0 213.262 1.066 10 5 BDBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCC[NH2+]2)cc1 ZINC000043496708 182939457 /nfs/dbraw/zinc/93/94/57/182939457.db2.gz XQOMUQOTQMAHAM-VIFPVBQESA-N 1 0 222.244 1.726 10 5 BDBERO CCCC[N+]12CCC(CC1)[C@@H](OC(C)=O)C2 ZINC000003171416 169016773 /nfs/dbraw/zinc/01/67/73/169016773.db2.gz IMWISRHCKLGAAY-MOKVOYLWSA-N 1 0 226.340 1.959 10 5 BDBERO C[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])s1 ZINC000226780079 134368927 /nfs/dbraw/zinc/36/89/27/134368927.db2.gz KOHRGVBLCJTOQT-YFKPBYRVSA-N 1 0 216.266 1.201 10 5 BDBERO C=CC(=O)OCC[N+](C)(C)Cc1ccccc1 ZINC000002525492 383971296 /nfs/dbraw/zinc/97/12/96/383971296.db2.gz CQLNQGQDXMGDBC-UHFFFAOYSA-N 1 0 234.319 1.992 10 5 BDBERO Cc1cc(N[C@@H](C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000336697987 384254242 /nfs/dbraw/zinc/25/42/42/384254242.db2.gz JBAJUOVUEXRMJE-VIFPVBQESA-N 1 0 238.291 1.838 10 5 BDBERO C[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000309026468 384392780 /nfs/dbraw/zinc/39/27/80/384392780.db2.gz YGOBFQGIILCXOP-LURJTMIESA-N 1 0 230.293 1.591 10 5 BDBERO C[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083291744 384474687 /nfs/dbraw/zinc/47/46/87/384474687.db2.gz NBJDRZKPGXNVQI-RXMQYKEDSA-N 1 0 211.177 1.523 10 5 BDBERO O=[N+]([O-])c1cccnc1SC[C@@H]1CCC[NH2+]1 ZINC000095091909 384819767 /nfs/dbraw/zinc/81/97/67/384819767.db2.gz MZCODAWANCZQIO-QMMMGPOBSA-N 1 0 239.300 1.834 10 5 BDBERO [NH3+][C@H](CO)c1cc([N+](=O)[O-])ccc1Cl ZINC000072198304 384815209 /nfs/dbraw/zinc/81/52/09/384815209.db2.gz BGKOFTZMXDWODY-MRVPVSSYSA-N 1 0 216.624 1.240 10 5 BDBERO Cc1cc(NCCC[NH3+])ncc1[N+](=O)[O-] ZINC000086001846 386733703 /nfs/dbraw/zinc/73/37/03/386733703.db2.gz LFWJVZZAKPTAKU-UHFFFAOYSA-N 1 0 210.237 1.059 10 5 BDBERO [NH3+]Cc1nccc2ccc([N+](=O)[O-])cc21 ZINC000238611785 387032140 /nfs/dbraw/zinc/03/21/40/387032140.db2.gz UUVMXVSBEUCXMF-UHFFFAOYSA-N 1 0 203.201 1.602 10 5 BDBERO [NH3+][C@H]1COc2cc([N+](=O)[O-])ccc2SC1 ZINC000238854935 388259084 /nfs/dbraw/zinc/25/90/84/388259084.db2.gz PQDUCDQVMXTXFX-LURJTMIESA-N 1 0 226.257 1.407 10 5 BDBERO Cn1cc(C[NH3+])c2cccc([N+](=O)[O-])c21 ZINC000299888992 388344700 /nfs/dbraw/zinc/34/47/00/388344700.db2.gz BRHFRLQXEXPUJD-UHFFFAOYSA-N 1 0 205.217 1.545 10 5 BDBERO C[C@@H](C[NH3+])Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162159868 388347320 /nfs/dbraw/zinc/34/73/20/388347320.db2.gz GMJXRGCLFQZSDT-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO CC[C@H]([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000304621892 388359377 /nfs/dbraw/zinc/35/93/77/388359377.db2.gz XZFWGHWWIGKBHT-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO CC(C)(C[NH2+]Cc1ccccc1)[N+](=O)[O-] ZINC000008699948 388406875 /nfs/dbraw/zinc/40/68/75/388406875.db2.gz RDDABSKUGAUGTL-UHFFFAOYSA-N 1 0 208.261 1.832 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000095937471 388791997 /nfs/dbraw/zinc/79/19/97/388791997.db2.gz AQGMJDQOLUGZPC-ZDUSSCGKSA-N 1 0 247.298 1.785 10 5 BDBERO O=[N+]([O-])c1ccc(S[C@H]2CC[NH2+]C2)nc1 ZINC000095091970 388759767 /nfs/dbraw/zinc/75/97/67/388759767.db2.gz IFBCFBCFOGKULC-QMMMGPOBSA-N 1 0 225.273 1.444 10 5 BDBERO O=[N+]([O-])c1cc(N2CC[NH2+]CC2)ccc1Cl ZINC000008418118 132243638 /nfs/dbraw/zinc/24/36/38/132243638.db2.gz ASNGEUSDZWVICZ-UHFFFAOYSA-N 1 0 241.678 1.658 10 5 BDBERO [NH3+]CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000044514831 132354284 /nfs/dbraw/zinc/35/42/84/132354284.db2.gz SLLRFKCPNMGECO-UHFFFAOYSA-N 1 0 236.275 1.165 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)[NH2+]1 ZINC000053711733 132363393 /nfs/dbraw/zinc/36/33/93/132363393.db2.gz HXPQUXMNBYQXJB-IUCAKERBSA-N 1 0 236.275 1.176 10 5 BDBERO CCc1cc(OC)cc([N+](=O)[O-])c1C[NH3+] ZINC000575725714 398068803 /nfs/dbraw/zinc/06/88/03/398068803.db2.gz MRWGMGLRNCUPCM-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO CC(C)[NH2+]C[C@@H](O)Cc1cccc([N+](=O)[O-])c1 ZINC000071548720 167111626 /nfs/dbraw/zinc/11/16/26/167111626.db2.gz JPYXPWBKRMPHNO-LBPRGKRZSA-N 1 0 238.287 1.496 10 5 BDBERO CC(C)[NH2+]C[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000087492909 167114567 /nfs/dbraw/zinc/11/45/67/167114567.db2.gz PCNHIOIZEGPWGX-NSHDSACASA-N 1 0 224.260 1.626 10 5 BDBERO CC[NH2+]CCCNc1ncccc1[N+](=O)[O-] ZINC000038043489 170112696 /nfs/dbraw/zinc/11/26/96/170112696.db2.gz UWQWZEOAUFBRQV-UHFFFAOYSA-N 1 0 224.264 1.401 10 5 BDBERO CC[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000020525229 170116402 /nfs/dbraw/zinc/11/64/02/170116402.db2.gz FYKIGBCZBRFEMR-UHFFFAOYSA-N 1 0 210.233 1.583 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043568058 173126226 /nfs/dbraw/zinc/12/62/26/173126226.db2.gz CPBFVZHQPKRQMJ-MRVPVSSYSA-N 1 0 222.248 1.106 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000042548253 173156362 /nfs/dbraw/zinc/15/63/62/173156362.db2.gz DLSZPVZPISEGPP-QMMMGPOBSA-N 1 0 222.248 1.106 10 5 BDBERO C[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000052076707 173342341 /nfs/dbraw/zinc/34/23/41/173342341.db2.gz OHJJKBWQIUKFNR-UHFFFAOYSA-N 1 0 237.259 1.451 10 5 BDBERO C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000037184205 173387524 /nfs/dbraw/zinc/38/75/24/173387524.db2.gz BMWGSFGKZBGJHQ-UHFFFAOYSA-N 1 0 202.160 1.592 10 5 BDBERO C[C@H](C[NH3+])COc1ccccc1[N+](=O)[O-] ZINC000070065026 176658885 /nfs/dbraw/zinc/65/88/85/176658885.db2.gz CXKYINNDGWAZOG-MRVPVSSYSA-N 1 0 210.233 1.568 10 5 BDBERO C[N+]1(C)CCC=C[C@@H]1n1nnc2ccccc21 ZINC000005377552 177488241 /nfs/dbraw/zinc/48/82/41/177488241.db2.gz KCULZTIFYRRRLD-CYBMUJFWSA-N 1 0 229.307 1.966 10 5 BDBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000320601469 323182317 /nfs/dbraw/zinc/18/23/17/323182317.db2.gz XEOQXAADLXDOJV-PHDIDXHHSA-N 1 0 230.293 1.589 10 5 BDBERO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]1CO ZINC000309551815 326158531 /nfs/dbraw/zinc/15/85/31/326158531.db2.gz GEQLHVJHZNFMDN-VHSXEESVSA-N 1 0 222.244 1.065 10 5 BDBERO Cc1ccc([N+](=O)[O-])c2c1[C@H]([NH3+])[C@H](C)O2 ZINC000757175602 586433086 /nfs/dbraw/zinc/43/30/86/586433086.db2.gz BRXCQDSFSHRTNH-IMTBSYHQSA-N 1 0 208.217 1.684 10 5 BDBERO Cc1cc([N+](=O)[O-])cc2c1O[C@@H](C)[C@H]2[NH3+] ZINC000757175668 586433180 /nfs/dbraw/zinc/43/31/80/586433180.db2.gz GEWQGRZNUROULR-IMTBSYHQSA-N 1 0 208.217 1.684 10 5 BDBERO C[C@H]([NH3+])CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000309192440 632746158 /nfs/dbraw/zinc/74/61/58/632746158.db2.gz JQZVUGJDCGNKCQ-ZETCQYMHSA-N 1 0 227.239 1.517 10 5 BDBERO Cc1cc(N(C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000309195731 632756776 /nfs/dbraw/zinc/75/67/76/632756776.db2.gz LFRZQQILRYTKEU-SECBINFHSA-N 1 0 223.276 1.687 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H](C)[NH3+] ZINC000309417731 633039188 /nfs/dbraw/zinc/03/91/88/633039188.db2.gz JSYURIOQHYASBZ-MRVPVSSYSA-N 1 0 224.264 1.082 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255399 634111186 /nfs/dbraw/zinc/11/11/86/634111186.db2.gz UWQXLRKECUDVCC-QMMMGPOBSA-N 1 0 239.250 1.898 10 5 BDBERO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000041030296 636952659 /nfs/dbraw/zinc/95/26/59/636952659.db2.gz JWOSXRFMDATHQK-MRVPVSSYSA-N 1 0 239.250 1.661 10 5 BDBERO CN(CC[NH3+])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429229 640873478 /nfs/dbraw/zinc/87/34/78/640873478.db2.gz VGMFNYJGDFNXIK-UHFFFAOYSA-N 1 0 229.667 1.643 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[NH2+]C1 ZINC000071397645 643142711 /nfs/dbraw/zinc/14/27/11/643142711.db2.gz CEFCSXJRLPHPSD-QMMMGPOBSA-N 1 0 239.250 1.898 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251594088 644811410 /nfs/dbraw/zinc/81/14/10/644811410.db2.gz CWSDAZFFCYFPJE-JOYOIKCWSA-N 1 0 235.287 1.768 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000715153522 712512656 /nfs/dbraw/zinc/51/26/56/712512656.db2.gz UONSKYCXKPDCLC-OCAPTIKFSA-N 1 0 222.248 1.139 10 5 BDBERO C[NH2+]C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000706535247 712149215 /nfs/dbraw/zinc/14/92/15/712149215.db2.gz NOJMOKFNIXQIRT-ZETCQYMHSA-N 1 0 227.239 1.754 10 5 BDBERO Cc1ccc(N2C[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000708856064 712201195 /nfs/dbraw/zinc/20/11/95/712201195.db2.gz YZOUPUJTBGBNCI-WDEREUQCSA-N 1 0 249.314 1.934 10 5 BDBERO CCCCOC(=O)C1=CCC[N+](C)(C)C1 ZINC000003635773 717097290 /nfs/dbraw/zinc/09/72/90/717097290.db2.gz QUOQTCFMRXNGPQ-UHFFFAOYSA-N 1 0 212.313 1.736 10 5 BDBERO CN(C)C(=O)Oc1cccnc1C[N+](C)(C)C ZINC000013232992 717107946 /nfs/dbraw/zinc/10/79/46/717107946.db2.gz BLLQSBYWYQDTKI-UHFFFAOYSA-N 1 0 238.311 1.348 10 5 BDBERO Fc1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000057938698 717131123 /nfs/dbraw/zinc/13/11/23/717131123.db2.gz AKBNQKQQFZAQEL-UHFFFAOYSA-N 1 0 221.299 1.472 10 5 BDBERO Cc1cc(NC(=O)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000043570235 178147076 /nfs/dbraw/zinc/14/70/76/178147076.db2.gz XEDKRZRZVFHSBX-ZETCQYMHSA-N 1 0 223.232 1.189 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NCCC[NH3+] ZINC000035635813 178273053 /nfs/dbraw/zinc/27/30/53/178273053.db2.gz SLTPFZRAZKLSBE-UHFFFAOYSA-N 1 0 209.249 1.664 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])cc(F)c1Br ZINC000306664191 362021706 /nfs/dbraw/zinc/02/17/06/362021706.db2.gz WRBDBPIOHRFNQC-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO CC[C@H]([NH3+])CNc1cccc(OC)c1[N+](=O)[O-] ZINC000135053309 343620614 /nfs/dbraw/zinc/62/06/14/343620614.db2.gz AKDGUHSNFFWSBC-QMMMGPOBSA-N 1 0 239.275 1.753 10 5 BDBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000082579250 133502745 /nfs/dbraw/zinc/50/27/45/133502745.db2.gz MNLZDJWZMCHKQY-ZETCQYMHSA-N 1 0 210.237 1.139 10 5 BDBERO O=[N+]([O-])c1cc(Cl)ccc1NC1C[NH2+]C1 ZINC000084417259 344428201 /nfs/dbraw/zinc/42/82/01/344428201.db2.gz RJJKMOIBHOKIOL-UHFFFAOYSA-N 1 0 227.651 1.632 10 5 BDBERO CN(CCOCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000600955998 344401747 /nfs/dbraw/zinc/40/17/47/344401747.db2.gz MREUCIIVCMAFFK-UHFFFAOYSA-N 1 0 239.275 1.006 10 5 BDBERO Cc1cnc(N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381576356 344522005 /nfs/dbraw/zinc/52/20/05/344522005.db2.gz IPZVQZYWFHKYOW-JGVFFNPUSA-N 1 0 224.264 1.446 10 5 BDBERO Cc1cccc(NC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000235489355 344924107 /nfs/dbraw/zinc/92/41/07/344924107.db2.gz BIKPYOJFRIXBGE-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000600963468 344934831 /nfs/dbraw/zinc/93/48/31/344934831.db2.gz VHHNQOLBZWRVBU-IUCAKERBSA-N 1 0 236.275 1.224 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NCCC[NH3+])c1 ZINC000033817837 344952495 /nfs/dbraw/zinc/95/24/95/344952495.db2.gz YSKZJJNPGSFHQN-UHFFFAOYSA-N 1 0 209.249 1.664 10 5 BDBERO O=[N+]([O-])c1cc2c(cc1[C@@H]1CC[NH2+]1)OCO2 ZINC000044257317 344995757 /nfs/dbraw/zinc/99/57/57/344995757.db2.gz VTNNGPNSRXTCOK-ZETCQYMHSA-N 1 0 222.200 1.358 10 5 BDBERO Cc1ccnc(NC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000070062915 345321035 /nfs/dbraw/zinc/32/10/35/345321035.db2.gz GZGDYHIOUCCLEL-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO Cc1ccnc(NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000070062900 345321400 /nfs/dbraw/zinc/32/14/00/345321400.db2.gz WXTALFNGOIJSQK-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO CN(CC(C)(C)[NH3+])c1c(F)cccc1[N+](=O)[O-] ZINC000594692980 348100280 /nfs/dbraw/zinc/10/02/80/348100280.db2.gz HBMWSTNQPNICLP-UHFFFAOYSA-N 1 0 241.266 1.907 10 5 BDBERO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(CO)C1 ZINC000595000675 348169225 /nfs/dbraw/zinc/16/92/25/348169225.db2.gz KUNIYMLDBBPRCT-UHFFFAOYSA-N 1 0 236.271 1.455 10 5 BDBERO Cc1cc(NCC23CC(C2)C[NH2+]3)ncc1[N+](=O)[O-] ZINC000596027747 348425732 /nfs/dbraw/zinc/42/57/32/348425732.db2.gz WHVUKAGBOJVBFJ-UHFFFAOYSA-N 1 0 248.286 1.462 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000596032750 348427190 /nfs/dbraw/zinc/42/71/90/348427190.db2.gz NXYKEZDEGHZKIG-QMMMGPOBSA-N 1 0 224.264 1.318 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000596032748 348427256 /nfs/dbraw/zinc/42/72/56/348427256.db2.gz NXYKEZDEGHZKIG-MRVPVSSYSA-N 1 0 224.264 1.318 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH2+]C ZINC000596034309 348427953 /nfs/dbraw/zinc/42/79/53/348427953.db2.gz YRPQFHJZWRLWLU-ZETCQYMHSA-N 1 0 241.295 1.139 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH2+]C ZINC000596034307 348428126 /nfs/dbraw/zinc/42/81/26/348428126.db2.gz YRPQFHJZWRLWLU-SSDOTTSWSA-N 1 0 241.295 1.139 10 5 BDBERO Cc1ccnc(N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336651978 179459451 /nfs/dbraw/zinc/45/94/51/179459451.db2.gz IJOXFPPMIGHMJK-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1cc(NC[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000309358486 350351514 /nfs/dbraw/zinc/35/15/14/350351514.db2.gz NRKVDGZJOUTAFE-ZETCQYMHSA-N 1 0 227.239 1.801 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]([NH3+])C(C)C)n1 ZINC000162865400 350449296 /nfs/dbraw/zinc/44/92/96/350449296.db2.gz DNMYKWUMSRZEEE-SECBINFHSA-N 1 0 238.291 1.693 10 5 BDBERO Cc1cc(NC2C[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000309431922 350454045 /nfs/dbraw/zinc/45/40/45/350454045.db2.gz XVVYAQJTWOEQSR-UHFFFAOYSA-N 1 0 225.223 1.426 10 5 BDBERO [NH3+]C[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382435855 350776399 /nfs/dbraw/zinc/77/63/99/350776399.db2.gz VOXHYKSZHZLKGL-BDAKNGLRSA-N 1 0 236.275 1.529 10 5 BDBERO CC[C@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000086003233 350852683 /nfs/dbraw/zinc/85/26/83/350852683.db2.gz UERFUFUCPVPYFM-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1nc(N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000382997484 351162791 /nfs/dbraw/zinc/16/27/91/351162791.db2.gz MIAQLYBOEIMNNP-ZETCQYMHSA-N 1 0 224.264 1.082 10 5 BDBERO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000111830599 191133748 /nfs/dbraw/zinc/13/37/48/191133748.db2.gz CNCWWZGZBZHRNV-SNVBAGLBSA-N 1 0 238.291 1.775 10 5 BDBERO [NH3+]Cc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC000307023831 351430050 /nfs/dbraw/zinc/43/00/50/351430050.db2.gz GMQUOVPGSHZTNN-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO CC[C@H]([NH3+])CNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036541 351527575 /nfs/dbraw/zinc/52/75/75/351527575.db2.gz DXFFWPWCBLONEM-QMMMGPOBSA-N 1 0 224.264 1.447 10 5 BDBERO CN(CC[NH+](C)C)c1cccc(N)c1[N+](=O)[O-] ZINC000090502051 363171847 /nfs/dbraw/zinc/17/18/47/363171847.db2.gz MYFMWXSMWFWULP-UHFFFAOYSA-N 1 0 238.291 1.175 10 5 BDBERO C[C@H]1C[NH2+]CCN1c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725273090 538104313 /nfs/dbraw/zinc/10/43/13/538104313.db2.gz YZQFHXOKDXMEHS-VIFPVBQESA-N 1 0 249.270 1.205 10 5 BDBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050765 180774751 /nfs/dbraw/zinc/77/47/51/180774751.db2.gz GSQRFPILSDWYQX-SFYZADRCSA-N 1 0 239.279 1.010 10 5 BDBERO C[C@@H](C[NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000420208216 192176489 /nfs/dbraw/zinc/17/64/89/192176489.db2.gz AYVPDZIJPRXNRZ-LURJTMIESA-N 1 0 244.682 1.650 10 5 BDBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000124078243 353035959 /nfs/dbraw/zinc/03/59/59/353035959.db2.gz XIRCTXMOIQLWSH-UHFFFAOYSA-N 1 0 238.291 1.710 10 5 BDBERO [NH3+]C[C@H]1C[C@@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000675060107 538485951 /nfs/dbraw/zinc/48/59/51/538485951.db2.gz AGVHSJSSGBEGFU-MWLCHTKSSA-N 1 0 222.244 1.426 10 5 BDBERO CCc1ccc([N+](=O)[O-])cc1NC1=[NH+]CCN1 ZINC000675072209 538503722 /nfs/dbraw/zinc/50/37/22/538503722.db2.gz AOGCBNRMSNQVLC-UHFFFAOYSA-N 1 0 234.259 1.528 10 5 BDBERO O=[N+]([O-])c1ccc(NC2=[NH+]CCN2)cc1F ZINC000675072368 538503745 /nfs/dbraw/zinc/50/37/45/538503745.db2.gz DUYZNVCDESBBNK-UHFFFAOYSA-N 1 0 224.195 1.105 10 5 BDBERO CCOC(=O)CCC[N+](C)(C)C1CC1 ZINC000584647626 358128348 /nfs/dbraw/zinc/12/83/48/358128348.db2.gz GXCYKJHFHXWJAG-UHFFFAOYSA-N 1 0 200.302 1.569 10 5 BDBERO [NH2+]=c1ccn(Oc2ccncc2[N+](=O)[O-])cc1 ZINC000584635679 358319913 /nfs/dbraw/zinc/31/99/13/358319913.db2.gz XIJVLGDQFIONGB-UHFFFAOYSA-N 1 0 232.199 1.113 10 5 BDBERO Cc1nn(CC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000043497890 358376069 /nfs/dbraw/zinc/37/60/69/358376069.db2.gz NHJUMUGWDXHJCB-UHFFFAOYSA-N 1 0 238.291 1.408 10 5 BDBERO [NH3+]CCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037018490 181368608 /nfs/dbraw/zinc/36/86/08/181368608.db2.gz YYTFVRBXMCTVNZ-UHFFFAOYSA-N 1 0 243.650 1.536 10 5 BDBERO [NH3+]CCCOCc1ccc([N+](=O)[O-])cc1 ZINC000055345926 181384758 /nfs/dbraw/zinc/38/47/58/181384758.db2.gz VGBONUAVZHOVHB-UHFFFAOYSA-N 1 0 210.233 1.460 10 5 BDBERO [NH3+]CCCc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054139184 181388690 /nfs/dbraw/zinc/38/86/90/181388690.db2.gz FYKVKSIZOCCGKL-UHFFFAOYSA-N 1 0 248.242 1.536 10 5 BDBERO [NH3+]CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035340559 181398648 /nfs/dbraw/zinc/39/86/48/181398648.db2.gz XKQINSNDQWEWRO-UHFFFAOYSA-N 1 0 232.243 1.514 10 5 BDBERO [NH3+]CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035533209 181413423 /nfs/dbraw/zinc/41/34/23/181413423.db2.gz NZNHNRDBTZLLTB-UHFFFAOYSA-N 1 0 234.215 1.146 10 5 BDBERO [NH3+][C@@H]1CCCc2cccc([N+](=O)[O-])c2[C@H]1O ZINC000019795524 371190205 /nfs/dbraw/zinc/19/02/05/371190205.db2.gz MKEDQBNDGNDAAP-KCJUWKMLSA-N 1 0 222.244 1.292 10 5 BDBERO [NH3+][C@@H]1CCCc2cccc([N+](=O)[O-])c2[C@@H]1O ZINC000019795520 181586392 /nfs/dbraw/zinc/58/63/92/181586392.db2.gz MKEDQBNDGNDAAP-LDYMZIIASA-N 1 0 222.244 1.292 10 5 BDBERO O=[N+]([O-])c1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000028009205 371561989 /nfs/dbraw/zinc/56/19/89/371561989.db2.gz BLTXXGBPLVFAPG-UHFFFAOYSA-N 1 0 244.254 1.631 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[NH3+] ZINC000227749357 371928771 /nfs/dbraw/zinc/92/87/71/371928771.db2.gz IOGKZWHQGDYISI-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO O=[N+]([O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000095775272 182919066 /nfs/dbraw/zinc/91/90/66/182919066.db2.gz BVGQGTZBOMOXKL-UHFFFAOYSA-N 1 0 220.272 1.928 10 5 BDBERO O=[N+]([O-])c1cccc(NC[C@H]2CCC[NH2+]2)c1 ZINC000053255221 182946900 /nfs/dbraw/zinc/94/69/00/182946900.db2.gz FRRWHFGHTRIJRU-SNVBAGLBSA-N 1 0 221.260 1.759 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH3+])c1 ZINC000310254544 384082047 /nfs/dbraw/zinc/08/20/47/384082047.db2.gz OXSUPDXRYXCVTQ-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@H](CC[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000336718525 384256559 /nfs/dbraw/zinc/25/65/59/384256559.db2.gz YOWBOBUJZZIHGW-SSDOTTSWSA-N 1 0 210.237 1.139 10 5 BDBERO C[C@H](CC[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000308593708 384337586 /nfs/dbraw/zinc/33/75/86/384337586.db2.gz XDHKAFPNSKYDTB-RXMQYKEDSA-N 1 0 216.266 1.201 10 5 BDBERO N[C@@H](C[NH3+])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000072200906 384815900 /nfs/dbraw/zinc/81/59/00/384815900.db2.gz XXJIRSVYSKGDPF-ZETCQYMHSA-N 1 0 215.640 1.207 10 5 BDBERO O=[N+]([O-])c1ccccc1[C@@H]1C[C@@H]2C[NH2+]C[C@@H]12 ZINC000536954207 384806080 /nfs/dbraw/zinc/80/60/80/384806080.db2.gz JXPDUVOHBLUOTB-DVVUODLYSA-N 1 0 218.256 1.918 10 5 BDBERO [NH3+]C[C@@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000536958372 384808170 /nfs/dbraw/zinc/80/81/70/384808170.db2.gz OCWFFCZMDLWKKY-ONGXEEELSA-N 1 0 222.244 1.426 10 5 BDBERO O=[N+]([O-])c1cccnc1SC1CC[NH2+]CC1 ZINC000095091906 384814034 /nfs/dbraw/zinc/81/40/34/384814034.db2.gz AUDISNYKZBYGBT-UHFFFAOYSA-N 1 0 239.300 1.834 10 5 BDBERO O=[N+]([O-])c1cccc([C@@H]2O[C@H]3C[NH2+][C@@H]2C3)c1 ZINC000584626891 385680884 /nfs/dbraw/zinc/68/08/84/385680884.db2.gz KLGWNYBYNHLHBB-MXWKQRLJSA-N 1 0 220.228 1.397 10 5 BDBERO CCOc1cc(OCC)c(C[NH3+])c([N+](=O)[O-])c1 ZINC000575721750 387444440 /nfs/dbraw/zinc/44/44/40/387444440.db2.gz SRUFJTKDZCUVEC-UHFFFAOYSA-N 1 0 240.259 1.851 10 5 BDBERO C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000104223203 387485898 /nfs/dbraw/zinc/48/58/98/387485898.db2.gz CFPWMJSOIKRUHH-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000400459737 533461878 /nfs/dbraw/zinc/46/18/78/533461878.db2.gz RCPXMGBBSYIJLG-GHMZBOCLSA-N 1 0 249.314 1.682 10 5 BDBERO C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053711580 132363367 /nfs/dbraw/zinc/36/33/67/132363367.db2.gz QYZRCXAAGFLWQR-IUCAKERBSA-N 1 0 236.275 1.176 10 5 BDBERO CC(C)C[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000226780657 134368811 /nfs/dbraw/zinc/36/88/11/134368811.db2.gz FRGIADSASWJTHQ-SSDOTTSWSA-N 1 0 244.320 1.837 10 5 BDBERO CC[C@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000226780590 134369166 /nfs/dbraw/zinc/36/91/66/134369166.db2.gz VTAKFVLEUOPYPJ-YFKPBYRVSA-N 1 0 216.266 1.201 10 5 BDBERO CCc1cc(OC)c(C[NH3+])cc1[N+](=O)[O-] ZINC000575725650 398069026 /nfs/dbraw/zinc/06/90/26/398069026.db2.gz MCECBDCFCYYXDZ-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C(N)=[NH2+] ZINC000020549930 167302026 /nfs/dbraw/zinc/30/20/26/167302026.db2.gz GVYDIEAIVUZWHY-UHFFFAOYSA-N 1 0 223.232 1.666 10 5 BDBERO CC[NH2+]CCCNc1ccncc1[N+](=O)[O-] ZINC000038043498 170112431 /nfs/dbraw/zinc/11/24/31/170112431.db2.gz NRDQOLWSGOJFKC-UHFFFAOYSA-N 1 0 224.264 1.401 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000042375254 173126019 /nfs/dbraw/zinc/12/60/19/173126019.db2.gz POPCBFCPJNTHLR-MRVPVSSYSA-N 1 0 222.248 1.106 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000042375231 173154445 /nfs/dbraw/zinc/15/44/45/173154445.db2.gz OECQNVCRZMKGKO-JTQLQIEISA-N 1 0 221.260 1.711 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000042291701 173156302 /nfs/dbraw/zinc/15/63/02/173156302.db2.gz OFABCYDVPQCBFY-VIFPVBQESA-N 1 0 221.260 1.711 10 5 BDBERO C[C@@H]([NH3+])CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037608280 175803246 /nfs/dbraw/zinc/80/32/46/175803246.db2.gz SGRNIENVTYBABD-ZCFIWIBFSA-N 1 0 241.222 1.410 10 5 BDBERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])nc1 ZINC000572945339 326420158 /nfs/dbraw/zinc/42/01/58/326420158.db2.gz DZOSILLKDHOMLN-UHFFFAOYSA-N 1 0 238.291 1.790 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH3+])c1 ZINC000087151078 490377526 /nfs/dbraw/zinc/37/75/26/490377526.db2.gz KJWFNNILJYKYDQ-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO Cc1cc2c(c([N+](=O)[O-])c1)O[C@@H](C)[C@@H]2[NH3+] ZINC000757175914 582552896 /nfs/dbraw/zinc/55/28/96/582552896.db2.gz PQDFUHHBPICGBL-RCOVLWMOSA-N 1 0 208.217 1.684 10 5 BDBERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000127329076 590621391 /nfs/dbraw/zinc/62/13/91/590621391.db2.gz YFDOEUOCTLAASS-NXEZZACHSA-N 1 0 235.287 1.768 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000300046941 592501567 /nfs/dbraw/zinc/50/15/67/592501567.db2.gz BGLLIZPERSJLPM-LDYMZIIASA-N 1 0 221.260 1.378 10 5 BDBERO C[C@@H](C[NH3+])c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054158807 635776620 /nfs/dbraw/zinc/77/66/20/635776620.db2.gz IDVAKMHEGYODDL-ZETCQYMHSA-N 1 0 248.242 1.707 10 5 BDBERO COC[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308011 641391359 /nfs/dbraw/zinc/39/13/59/641391359.db2.gz XVANCWBZWVNMIR-QMMMGPOBSA-N 1 0 242.250 1.858 10 5 BDBERO [NH3+][C@@H](CCO)c1ccc([N+](=O)[O-])cc1F ZINC000238560935 642820822 /nfs/dbraw/zinc/82/08/22/642820822.db2.gz KLZYTNQGXHHFMI-VIFPVBQESA-N 1 0 214.196 1.116 10 5 BDBERO Cc1ccc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244218 643656825 /nfs/dbraw/zinc/65/68/25/643656825.db2.gz VPIBBTCLUPZXQX-VIFPVBQESA-N 1 0 221.260 1.441 10 5 BDBERO [NH3+]CC[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000723669319 710730382 /nfs/dbraw/zinc/73/03/82/710730382.db2.gz HNJCMGOYQUEHAP-VIFPVBQESA-N 1 0 236.275 1.165 10 5 BDBERO [NH3+]CC[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000723669418 711532956 /nfs/dbraw/zinc/53/29/56/711532956.db2.gz JEPPYFWFCSGABQ-SNVBAGLBSA-N 1 0 235.287 1.770 10 5 BDBERO [NH3+]CC[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000723681966 711534261 /nfs/dbraw/zinc/53/42/61/711534261.db2.gz CJXXWECHCGMFPJ-ZETCQYMHSA-N 1 0 242.304 1.226 10 5 BDBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1F ZINC000702639884 712057857 /nfs/dbraw/zinc/05/78/57/712057857.db2.gz URONLFNADXJRBN-SFYZADRCSA-N 1 0 239.250 1.660 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000708838142 712200065 /nfs/dbraw/zinc/20/00/65/712200065.db2.gz BKQMSSYASCKQOT-NXEZZACHSA-N 1 0 235.287 1.626 10 5 BDBERO CC1(C)CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC000720826932 712868973 /nfs/dbraw/zinc/86/89/73/712868973.db2.gz NSKRIHPBHNVTOE-VIFPVBQESA-N 1 0 236.275 1.163 10 5 BDBERO CC(=O)OCc1cccc(C[N+](C)(C)C)c1 ZINC000005166229 717099356 /nfs/dbraw/zinc/09/93/56/717099356.db2.gz OEFKSVSOXNLODO-UHFFFAOYSA-N 1 0 222.308 1.956 10 5 BDBERO [NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2CCC[C@H]1O ZINC000039941531 361783906 /nfs/dbraw/zinc/78/39/06/361783906.db2.gz ZADSOQHAQJFGCV-GHMZBOCLSA-N 1 0 222.244 1.292 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1OC[C@H]1CC[NH2+]C1 ZINC000052813532 178275301 /nfs/dbraw/zinc/27/53/01/178275301.db2.gz KPADDJNGHAVOEY-VIFPVBQESA-N 1 0 237.259 1.287 10 5 BDBERO CCN(CC[NH3+])c1cccc(C)c1[N+](=O)[O-] ZINC000233457116 342863713 /nfs/dbraw/zinc/86/37/13/342863713.db2.gz DDYGSEFITNPULG-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO CC[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000233893481 342895254 /nfs/dbraw/zinc/89/52/54/342895254.db2.gz GHTHUUVLWWDQHY-ZCFIWIBFSA-N 1 0 244.682 1.792 10 5 BDBERO [NH3+]Cc1nc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000309276647 342944677 /nfs/dbraw/zinc/94/46/77/342944677.db2.gz FNCFKVTWVLRCDL-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000600961318 344020701 /nfs/dbraw/zinc/02/07/01/344020701.db2.gz PVZQGVIIDQQFOX-BQBZGAKWSA-N 1 0 242.304 1.082 10 5 BDBERO C[C@H]([NH3+])Cc1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000584881343 343082381 /nfs/dbraw/zinc/08/23/81/343082381.db2.gz RVXKMYALZMHQIC-ZETCQYMHSA-N 1 0 219.244 1.966 10 5 BDBERO C[C@@H]([NH3+])Cc1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000584881341 343082491 /nfs/dbraw/zinc/08/24/91/343082491.db2.gz RVXKMYALZMHQIC-SSDOTTSWSA-N 1 0 219.244 1.966 10 5 BDBERO CC(C)CN1c2ccc([N+](=O)[O-])cc2[C@H](N)C1=O ZINC000100236519 344410455 /nfs/dbraw/zinc/41/04/55/344410455.db2.gz FBTJFZXPNORZMC-NSHDSACASA-N 1 0 249.270 1.597 10 5 BDBERO Cc1cnc(NC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000085427018 344530359 /nfs/dbraw/zinc/53/03/59/344530359.db2.gz BEOSYEDWKZVUDB-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO C[C@H]([NH3+])[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000381696576 344535082 /nfs/dbraw/zinc/53/50/82/344535082.db2.gz GHLNTQUFEGPRRR-BQBZGAKWSA-N 1 0 210.237 1.137 10 5 BDBERO C[C@@H]([NH3+])[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000381696583 344535445 /nfs/dbraw/zinc/53/54/45/344535445.db2.gz GHLNTQUFEGPRRR-RNFRBKRXSA-N 1 0 210.237 1.137 10 5 BDBERO Cc1nc(N2C[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600962785 344836701 /nfs/dbraw/zinc/83/67/01/344836701.db2.gz MDHXQTATHZUCRW-IONNQARKSA-N 1 0 236.275 1.224 10 5 BDBERO [NH3+][C@H](CCO)c1cc([N+](=O)[O-])ccc1F ZINC000044232886 344988367 /nfs/dbraw/zinc/98/83/67/344988367.db2.gz LZVCPLWVLASPRB-SECBINFHSA-N 1 0 214.196 1.116 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[NH3+] ZINC000082575203 345440140 /nfs/dbraw/zinc/44/01/40/345440140.db2.gz MYGWVTPJLAAMQK-SSDOTTSWSA-N 1 0 210.237 1.057 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH3+] ZINC000082584560 345444646 /nfs/dbraw/zinc/44/46/46/345444646.db2.gz FUTFYCCOVAPDTI-QMMMGPOBSA-N 1 0 209.249 1.662 10 5 BDBERO CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000389400786 345930529 /nfs/dbraw/zinc/93/05/29/345930529.db2.gz POBYRTILIPNTLE-SNVBAGLBSA-N 1 0 236.275 1.496 10 5 BDBERO Cc1ccnc(N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000594693057 348099974 /nfs/dbraw/zinc/09/99/74/348099974.db2.gz JTKGIILTWAEDID-UHFFFAOYSA-N 1 0 238.291 1.472 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C ZINC000596032213 348427246 /nfs/dbraw/zinc/42/72/46/348427246.db2.gz JKVOHIFGUOXHJS-VIFPVBQESA-N 1 0 223.276 1.923 10 5 BDBERO O=[N+]([O-])c1ccccc1COC[C@@H]1CCC[NH2+]1 ZINC000051816481 350136460 /nfs/dbraw/zinc/13/64/60/350136460.db2.gz JPWMPYMKPSFLTD-NSHDSACASA-N 1 0 236.271 1.863 10 5 BDBERO Cc1nn(CSCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000002538337 180391157 /nfs/dbraw/zinc/39/11/57/180391157.db2.gz NRUUBUHFIWSIEB-UHFFFAOYSA-N 1 0 230.293 1.058 10 5 BDBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382435863 350776142 /nfs/dbraw/zinc/77/61/42/350776142.db2.gz VOXHYKSZHZLKGL-RKDXNWHRSA-N 1 0 236.275 1.529 10 5 BDBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1F ZINC000063171614 351269698 /nfs/dbraw/zinc/26/96/98/351269698.db2.gz KEROXIALKCWLCE-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO C[C@H]1CN(c2ccc(C=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000725271974 538103921 /nfs/dbraw/zinc/10/39/21/538103921.db2.gz KSCWOKZFOJRHDL-VIFPVBQESA-N 1 0 249.270 1.205 10 5 BDBERO C[C@H](C[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000420231048 192180988 /nfs/dbraw/zinc/18/09/88/192180988.db2.gz RBZLHUOLFDVQRW-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389694995 356861147 /nfs/dbraw/zinc/86/11/47/356861147.db2.gz CGBXAVNBYRBUOB-WCBMZHEXSA-N 1 0 236.275 1.400 10 5 BDBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000389707890 356905937 /nfs/dbraw/zinc/90/59/37/356905937.db2.gz PYUMRJRWPJFHTB-PSASIEDQSA-N 1 0 236.275 1.400 10 5 BDBERO COC(OC)[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000584610917 358274519 /nfs/dbraw/zinc/27/45/19/358274519.db2.gz FBFRQMANUIXBER-JTQLQIEISA-N 1 0 240.259 1.084 10 5 BDBERO Cc1c([N+](=O)[O-])cnn1CC1CC[NH2+]CC1 ZINC000584648986 358304343 /nfs/dbraw/zinc/30/43/43/358304343.db2.gz QVRIQYVKORYKPR-UHFFFAOYSA-N 1 0 224.264 1.099 10 5 BDBERO [NH3+]CCCc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000061844174 181387600 /nfs/dbraw/zinc/38/76/00/181387600.db2.gz ONHHMXCBHZBCKF-UHFFFAOYSA-N 1 0 247.258 1.271 10 5 BDBERO [NH3+]C[C@H]1CC[C@@H](c2ccc([N+](=O)[O-])cc2)CO1 ZINC000675060445 541463538 /nfs/dbraw/zinc/46/35/38/541463538.db2.gz HJJIYUDUKGVJJF-ZYHUDNBSSA-N 1 0 236.271 1.816 10 5 BDBERO [NH3+]C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000050249899 181435583 /nfs/dbraw/zinc/43/55/83/181435583.db2.gz KEJIEJAFFCCONU-QMMMGPOBSA-N 1 0 239.250 1.519 10 5 BDBERO O=[N+]([O-])c1cnc2ccccc2c1NC1C[NH2+]C1 ZINC000162160294 371621969 /nfs/dbraw/zinc/62/19/69/371621969.db2.gz IBUVYWLTYVGLRU-UHFFFAOYSA-N 1 0 244.254 1.527 10 5 BDBERO [NH3+]CCCOCCNc1ccc([N+](=O)[O-])cc1 ZINC000600955678 371715064 /nfs/dbraw/zinc/71/50/64/371715064.db2.gz QJURBNAJJUWAOK-UHFFFAOYSA-N 1 0 239.275 1.372 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000600962181 371715846 /nfs/dbraw/zinc/71/58/46/371715846.db2.gz ANAKMSAQEYPTFW-VHSXEESVSA-N 1 0 235.287 1.829 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C[NH3+] ZINC000600962029 371716551 /nfs/dbraw/zinc/71/65/51/371716551.db2.gz SZYLPWCJJONHIY-BDAKNGLRSA-N 1 0 236.275 1.021 10 5 BDBERO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[NH2+]2)s1 ZINC000226779402 371742695 /nfs/dbraw/zinc/74/26/95/371742695.db2.gz LNEQMIQVURTWNO-SSDOTTSWSA-N 1 0 242.304 1.605 10 5 BDBERO CN(CCC[NH3+])c1ccc(F)cc1[N+](=O)[O-] ZINC000227749269 371929980 /nfs/dbraw/zinc/92/99/80/371929980.db2.gz NPVQHAYZMMVQMV-UHFFFAOYSA-N 1 0 227.239 1.519 10 5 BDBERO O=C(Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000037029545 182379981 /nfs/dbraw/zinc/37/99/81/182379981.db2.gz ZPFNXKJEIXQWKK-UHFFFAOYSA-N 1 0 249.270 1.533 10 5 BDBERO O=[N+]([O-])c1cccc(C2=CC=[NH+]CCN2)c1 ZINC000072416583 384117911 /nfs/dbraw/zinc/11/79/11/384117911.db2.gz CYCZFCQLISOYQK-UHFFFAOYSA-N 1 0 217.228 1.501 10 5 BDBERO C[C@@H](CC[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000309422968 384210648 /nfs/dbraw/zinc/21/06/48/384210648.db2.gz IALOFESWMKKSQO-ZETCQYMHSA-N 1 0 227.239 1.883 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000336671447 384248174 /nfs/dbraw/zinc/24/81/74/384248174.db2.gz SHAMZYASVVBRNY-LURJTMIESA-N 1 0 244.682 1.792 10 5 BDBERO [NH3+][C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000100267863 384628423 /nfs/dbraw/zinc/62/84/23/384628423.db2.gz VEPJDHDKXNUJLM-DTORHVGOSA-N 1 0 236.275 1.672 10 5 BDBERO C[C@H](C[C@H](C)[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000320601462 384755233 /nfs/dbraw/zinc/75/52/33/384755233.db2.gz XEOQXAADLXDOJV-NTSWFWBYSA-N 1 0 230.293 1.589 10 5 BDBERO Cc1cc([C@@]2([NH3+])C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000536961245 384807649 /nfs/dbraw/zinc/80/76/49/384807649.db2.gz WNRPXYDISMVVKA-JGZJWPJOSA-N 1 0 222.244 1.212 10 5 BDBERO N[C@@H](C[NH3+])c1cc([N+](=O)[O-])ccc1Cl ZINC000072200910 384815150 /nfs/dbraw/zinc/81/51/50/384815150.db2.gz VASYXGOPXPDHHB-QMMMGPOBSA-N 1 0 215.640 1.207 10 5 BDBERO O=[N+]([O-])c1ccc(C[C@]23C[NH2+][C@H](CO2)C3)cc1 ZINC000584626862 385680906 /nfs/dbraw/zinc/68/09/06/385680906.db2.gz CVXPYUPCMTWDEU-JQWIXIFHSA-N 1 0 234.255 1.268 10 5 BDBERO C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000104223207 387484694 /nfs/dbraw/zinc/48/46/94/387484694.db2.gz CFPWMJSOIKRUHH-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])nc1 ZINC000596026178 388400400 /nfs/dbraw/zinc/40/04/00/388400400.db2.gz DYSORSVZVQFAME-SNVBAGLBSA-N 1 0 238.291 1.775 10 5 BDBERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000055421591 388837793 /nfs/dbraw/zinc/83/77/93/388837793.db2.gz KCWGSCCTSOHUMB-ZCFIWIBFSA-N 1 0 241.222 1.280 10 5 BDBERO Cc1ccc(N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000041030210 132223916 /nfs/dbraw/zinc/22/39/16/132223916.db2.gz VGYOVKZVPMVFQV-SNVBAGLBSA-N 1 0 235.287 1.831 10 5 BDBERO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000041030156 132349030 /nfs/dbraw/zinc/34/90/30/132349030.db2.gz FJNOAEHSZBZJHV-SECBINFHSA-N 1 0 221.260 1.522 10 5 BDBERO [NH3+]CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000236214243 134822883 /nfs/dbraw/zinc/82/28/83/134822883.db2.gz IIBYQGUFENGEFY-UHFFFAOYSA-N 1 0 231.202 1.634 10 5 BDBERO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261540758 135180328 /nfs/dbraw/zinc/18/03/28/135180328.db2.gz HQUDUSVDMZQRSA-VXNVDRBHSA-N 1 0 239.250 1.517 10 5 BDBERO CCc1cc(C[NH3+])cc(OC)c1[N+](=O)[O-] ZINC000575724688 398069705 /nfs/dbraw/zinc/06/97/05/398069705.db2.gz AYJSPIISWVIISN-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120224 173126518 /nfs/dbraw/zinc/12/65/18/173126518.db2.gz WZVOYRKSCLTANV-SECBINFHSA-N 1 0 239.250 1.850 10 5 BDBERO C[NH2+]CCOCc1cc([N+](=O)[O-])ccc1OC ZINC000051841484 173356631 /nfs/dbraw/zinc/35/66/31/173356631.db2.gz LQFNINHTRHWCGE-UHFFFAOYSA-N 1 0 240.259 1.339 10 5 BDBERO C[NH2+]CCNc1cccc(F)c1[N+](=O)[O-] ZINC000054244872 173357136 /nfs/dbraw/zinc/35/71/36/173357136.db2.gz DZTOZANMFBOIPJ-UHFFFAOYSA-N 1 0 213.212 1.365 10 5 BDBERO COCCC[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037232384 174247987 /nfs/dbraw/zinc/24/79/87/174247987.db2.gz YCYXZGXQPBOUKO-UHFFFAOYSA-N 1 0 214.221 1.314 10 5 BDBERO COc1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000020011528 175150345 /nfs/dbraw/zinc/15/03/45/175150345.db2.gz LZPFDZOOXVWPHR-UHFFFAOYSA-N 1 0 239.275 1.577 10 5 BDBERO COc1ccc(N[C@H]2C[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000036268002 175155413 /nfs/dbraw/zinc/15/54/13/175155413.db2.gz LDYIPNVMCVDWIX-CBAPKCEASA-N 1 0 223.232 1.115 10 5 BDBERO C[C@H](c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000038086753 177035748 /nfs/dbraw/zinc/03/57/48/177035748.db2.gz JURPZXHJIMNYIZ-SNVBAGLBSA-N 1 0 235.287 1.561 10 5 BDBERO O=[N+]([O-])c1cccc(F)c1NC1C[NH2+]C1 ZINC000088134584 322940066 /nfs/dbraw/zinc/94/00/66/322940066.db2.gz XDKVJQBLLXQXAD-UHFFFAOYSA-N 1 0 211.196 1.118 10 5 BDBERO CC[C@@H]1Oc2c(cc(OC)cc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757175906 582553323 /nfs/dbraw/zinc/55/33/23/582553323.db2.gz OXSNMOIEELZMFM-VHSXEESVSA-N 1 0 238.243 1.774 10 5 BDBERO [NH3+]C[C@@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000131996888 591682226 /nfs/dbraw/zinc/68/22/26/591682226.db2.gz JILOIVIXFOQKOL-QMMMGPOBSA-N 1 0 239.250 1.661 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235363808 632678144 /nfs/dbraw/zinc/67/81/44/632678144.db2.gz RMKJCLAYECUPAX-KOLCDFICSA-N 1 0 235.287 1.687 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000311025646 633051703 /nfs/dbraw/zinc/05/17/03/633051703.db2.gz CBSUCSDWULHBJK-MFKMUULPSA-N 1 0 247.298 1.783 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000310092247 634354866 /nfs/dbraw/zinc/35/48/66/634354866.db2.gz RZMITRCNUCGXDL-GXSJLCMTSA-N 1 0 235.287 1.829 10 5 BDBERO CC[C@@H]([NH3+])CNc1cccc(F)c1[N+](=O)[O-] ZINC000082579381 643345918 /nfs/dbraw/zinc/34/59/18/643345918.db2.gz SQSQXDZIELDIAS-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000070897068 643549594 /nfs/dbraw/zinc/54/95/94/643549594.db2.gz ADJLBYPCVGGDFW-NSHDSACASA-N 1 0 221.260 1.393 10 5 BDBERO CC1(C)CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000720749506 712863852 /nfs/dbraw/zinc/86/38/52/712863852.db2.gz VNHXXJCICHSMTL-LURJTMIESA-N 1 0 242.304 1.225 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000723821127 710732584 /nfs/dbraw/zinc/73/25/84/710732584.db2.gz METLBGXFJJVTCW-RQJHMYQMSA-N 1 0 242.304 1.319 10 5 BDBERO Cc1ccc(N2C[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000702671647 712058437 /nfs/dbraw/zinc/05/84/37/712058437.db2.gz KAQFOKDFUKVPBJ-VHSXEESVSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000715073214 712506309 /nfs/dbraw/zinc/50/63/09/712506309.db2.gz JQXIUOUFHMKRPA-ZKCHVHJHSA-N 1 0 222.248 1.139 10 5 BDBERO Cc1cc(NCC2CC([NH3+])C2)ncc1[N+](=O)[O-] ZINC000715097668 712508552 /nfs/dbraw/zinc/50/85/52/712508552.db2.gz SFSCMMJJYJFBNH-UHFFFAOYSA-N 1 0 236.275 1.447 10 5 BDBERO C[C@H]1CC[C@H](C)[NH+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408256534 136213015 /nfs/dbraw/zinc/21/30/15/136213015.db2.gz NPBLOCWWDLULPR-IUCAKERBSA-N 1 0 238.291 1.701 10 5 BDBERO Cc1cc(N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000054419472 178099081 /nfs/dbraw/zinc/09/90/81/178099081.db2.gz FJOFCUXBUYJOME-UHFFFAOYSA-N 1 0 209.249 1.298 10 5 BDBERO Cc1cc(NCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000309432732 178159708 /nfs/dbraw/zinc/15/97/08/178159708.db2.gz XXVZDJIXIBUHPI-UHFFFAOYSA-N 1 0 227.239 1.803 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000600962177 344019574 /nfs/dbraw/zinc/01/95/74/344019574.db2.gz ANAKMSAQEYPTFW-UWVGGRQHSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+]CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000135312229 344156393 /nfs/dbraw/zinc/15/63/93/344156393.db2.gz IDXNYLMBPJYZFF-UHFFFAOYSA-N 1 0 213.212 1.495 10 5 BDBERO CCc1nn(C)c(N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332520 344496533 /nfs/dbraw/zinc/49/65/33/344496533.db2.gz BVUPVSOAQFEQDP-RNFRBKRXSA-N 1 0 241.295 1.038 10 5 BDBERO Cc1ccnc(N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381591370 344524535 /nfs/dbraw/zinc/52/45/35/344524535.db2.gz LMVBEFSOQLGJSY-JGVFFNPUSA-N 1 0 224.264 1.446 10 5 BDBERO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H](C)[NH3+] ZINC000381690553 344535532 /nfs/dbraw/zinc/53/55/32/344535532.db2.gz FKMXCBXQDINAJA-NKWVEPMBSA-N 1 0 210.237 1.137 10 5 BDBERO C[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC000235489747 344923706 /nfs/dbraw/zinc/92/37/06/344923706.db2.gz NEGJICMEBBMQLX-YFKPBYRVSA-N 1 0 230.655 1.402 10 5 BDBERO Cc1cc(N2C[C@@H]([NH3+])C[C@H]2C)ncc1[N+](=O)[O-] ZINC000600963466 344934956 /nfs/dbraw/zinc/93/49/56/344934956.db2.gz VHHNQOLBZWRVBU-BDAKNGLRSA-N 1 0 236.275 1.224 10 5 BDBERO Cc1ccc([N+](=O)[O-])cc1OCCCC(N)=[NH2+] ZINC000038081733 178933532 /nfs/dbraw/zinc/93/35/32/178933532.db2.gz TYRURWMFVCRMID-UHFFFAOYSA-N 1 0 237.259 1.998 10 5 BDBERO [NH3+]C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000382439048 346182631 /nfs/dbraw/zinc/18/26/31/346182631.db2.gz YOSJOTBUEXGTCC-BQBZGAKWSA-N 1 0 242.304 1.591 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000596034159 348427797 /nfs/dbraw/zinc/42/77/97/348427797.db2.gz XFCPWGVOWAZLGD-SSDOTTSWSA-N 1 0 227.239 1.754 10 5 BDBERO [NH3+]C[C@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382435858 350776281 /nfs/dbraw/zinc/77/62/81/350776281.db2.gz VOXHYKSZHZLKGL-DTWKUNHWSA-N 1 0 236.275 1.529 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H](C)C[NH3+])c1 ZINC000383004244 351162828 /nfs/dbraw/zinc/16/28/28/351162828.db2.gz YOOAMAAEEAUXSS-VIFPVBQESA-N 1 0 223.276 1.687 10 5 BDBERO Cc1cnc(N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000383025907 351166845 /nfs/dbraw/zinc/16/68/45/351166845.db2.gz ZMQLJHWQFFHADF-QMMMGPOBSA-N 1 0 224.264 1.082 10 5 BDBERO CC(C)(C[NH2+]C1CCCCC1)[N+](=O)[O-] ZINC000005284387 187758006 /nfs/dbraw/zinc/75/80/06/187758006.db2.gz ZDVUJVMRWXEEPN-UHFFFAOYSA-N 1 0 200.282 1.964 10 5 BDBERO Cc1cnc(N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320423271 259440921 /nfs/dbraw/zinc/44/09/21/259440921.db2.gz YEJMWEFEUYLKJW-BDAKNGLRSA-N 1 0 238.291 1.836 10 5 BDBERO Cc1cnc(N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000310356711 188530451 /nfs/dbraw/zinc/53/04/51/188530451.db2.gz RASHHYDVCWYEJG-VIFPVBQESA-N 1 0 238.291 1.838 10 5 BDBERO Cc1ccc(NC2=[NH+]CCN2)c([N+](=O)[O-])c1 ZINC000675073480 538505669 /nfs/dbraw/zinc/50/56/69/538505669.db2.gz YNZSQHFCMWITNM-UHFFFAOYSA-N 1 0 220.232 1.274 10 5 BDBERO CC(C)[C@H]([NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584625011 358293784 /nfs/dbraw/zinc/29/37/84/358293784.db2.gz HOWRVPHBCGAMIV-JTQLQIEISA-N 1 0 222.244 1.761 10 5 BDBERO [NH3+]CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035059610 181383495 /nfs/dbraw/zinc/38/34/95/181383495.db2.gz UOZNWOYSSJLEBX-UHFFFAOYSA-N 1 0 246.270 1.904 10 5 BDBERO [NH3+]CCOc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053166511 181399612 /nfs/dbraw/zinc/39/96/12/181399612.db2.gz KUFLCGIIEHVSER-UHFFFAOYSA-N 1 0 218.159 1.211 10 5 BDBERO [NH3+]CCSCc1ccc([N+](=O)[O-])cn1 ZINC000021985588 181401667 /nfs/dbraw/zinc/40/16/67/181401667.db2.gz KKUXRSFCKWXTOD-UHFFFAOYSA-N 1 0 213.262 1.182 10 5 BDBERO [NH3+]CCc1nccc(Br)c1[N+](=O)[O-] ZINC000038540153 181414177 /nfs/dbraw/zinc/41/41/77/181414177.db2.gz YXHVCFKJNIUDCD-UHFFFAOYSA-N 1 0 246.064 1.254 10 5 BDBERO COc1cc(NC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1F ZINC000111302618 370126081 /nfs/dbraw/zinc/12/60/81/370126081.db2.gz CBNRLRBIAKJZSW-ZCFIWIBFSA-N 1 0 243.238 1.502 10 5 BDBERO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C[NH2+]1 ZINC000600954427 371713215 /nfs/dbraw/zinc/71/32/15/371713215.db2.gz BLBHUSNCBPELJC-BDAKNGLRSA-N 1 0 236.275 1.542 10 5 BDBERO [NH3+][C@H]1CCCc2cc([N+](=O)[O-])ccc2[C@H]1O ZINC000008699481 372854768 /nfs/dbraw/zinc/85/47/68/372854768.db2.gz QQQFYJCEGAMVAE-WDEREUQCSA-N 1 0 222.244 1.292 10 5 BDBERO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000034939005 182362960 /nfs/dbraw/zinc/36/29/60/182362960.db2.gz PNPWZWHXQLOTRJ-VIFPVBQESA-N 1 0 249.270 1.533 10 5 BDBERO O=[N+]([O-])c1ccc(CN2CCC[NH2+]CC2)s1 ZINC000077253519 182929786 /nfs/dbraw/zinc/92/97/86/182929786.db2.gz HZCARBVNISTYQI-UHFFFAOYSA-N 1 0 241.316 1.452 10 5 BDBERO N[C@H](C[NH3+])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000072200905 384815753 /nfs/dbraw/zinc/81/57/53/384815753.db2.gz XXJIRSVYSKGDPF-SSDOTTSWSA-N 1 0 215.640 1.207 10 5 BDBERO O=[N+]([O-])c1ccc(OC[C@H]2CCC[NH2+]2)nc1 ZINC000051866281 386054483 /nfs/dbraw/zinc/05/44/83/386054483.db2.gz TXNVPBGUXGJDBL-MRVPVSSYSA-N 1 0 223.232 1.121 10 5 BDBERO O=[N+]([O-])c1cccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000051883457 386558756 /nfs/dbraw/zinc/55/87/56/386558756.db2.gz ATLYCHZNABCCKR-VIFPVBQESA-N 1 0 237.259 1.511 10 5 BDBERO COc1cccc(N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000129717651 386713758 /nfs/dbraw/zinc/71/37/58/386713758.db2.gz MCANXLHWTUCIDZ-SSDOTTSWSA-N 1 0 225.248 1.363 10 5 BDBERO Cc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000414768702 386804328 /nfs/dbraw/zinc/80/43/28/386804328.db2.gz LBWMLTHYCPBCKF-CMPLNLGQSA-N 1 0 249.314 1.825 10 5 BDBERO C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000104210825 387506056 /nfs/dbraw/zinc/50/60/56/387506056.db2.gz MXRFCKOVEADURL-QMMMGPOBSA-N 1 0 246.270 1.902 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C2)n1 ZINC000162872295 387539151 /nfs/dbraw/zinc/53/91/51/387539151.db2.gz FYINXOMQVTXSJI-SECBINFHSA-N 1 0 236.275 1.320 10 5 BDBERO [NH3+]CCC[C@H]([NH3+])c1ccc([O-])c([N+](=O)[O-])c1 ZINC000575439557 388629411 /nfs/dbraw/zinc/62/94/11/388629411.db2.gz GZQYPXOAZHCAGH-QMMMGPOBSA-N 1 0 225.248 1.039 10 5 BDBERO CN(C[C@@H]1CC[NH2+]C1)c1ncccc1[N+](=O)[O-] ZINC000095071228 388758105 /nfs/dbraw/zinc/75/81/05/388758105.db2.gz YCJRMNWTOJYJLM-SECBINFHSA-N 1 0 236.275 1.036 10 5 BDBERO Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CC[NH3+] ZINC000020313066 177635485 /nfs/dbraw/zinc/63/54/85/177635485.db2.gz TXRCCXRHOPSQHS-UHFFFAOYSA-N 1 0 238.169 1.077 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H](C)[NH2+]1 ZINC000053711736 132363299 /nfs/dbraw/zinc/36/32/99/132363299.db2.gz HXPQUXMNBYQXJB-RKDXNWHRSA-N 1 0 236.275 1.176 10 5 BDBERO CCCC[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000226782956 134368986 /nfs/dbraw/zinc/36/89/86/134368986.db2.gz FWVCYTMSHBJQSC-ZETCQYMHSA-N 1 0 244.320 1.981 10 5 BDBERO O=[N+]([O-])c1ccccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248892935 135025291 /nfs/dbraw/zinc/02/52/91/135025291.db2.gz FCMREGFXHJOCSD-NSHDSACASA-N 1 0 247.298 1.879 10 5 BDBERO Cc1ccc(N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261544477 135185061 /nfs/dbraw/zinc/18/50/61/135185061.db2.gz YQLQHQTXOVVXEB-NXEZZACHSA-N 1 0 235.287 1.687 10 5 BDBERO CCOC(=O)CCC[N+](C)(C)C1CCC1 ZINC000584647927 398080790 /nfs/dbraw/zinc/08/07/90/398080790.db2.gz SGMHIECADVLAPM-UHFFFAOYSA-N 1 0 214.329 1.959 10 5 BDBERO CC[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000060393831 170111446 /nfs/dbraw/zinc/11/14/46/170111446.db2.gz FUYSVVAWPJWWFM-UHFFFAOYSA-N 1 0 237.259 1.533 10 5 BDBERO CN(c1cccc(F)c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071311648 172949011 /nfs/dbraw/zinc/94/90/11/172949011.db2.gz IOEYJFLIPIKHKS-QMMMGPOBSA-N 1 0 239.250 1.532 10 5 BDBERO C[NH+]1CCC(NCc2ccc([N+](=O)[O-])o2)CC1 ZINC000037256059 172996315 /nfs/dbraw/zinc/99/63/15/172996315.db2.gz LBFVEUYYSXTUPH-UHFFFAOYSA-N 1 0 239.275 1.372 10 5 BDBERO C[NH2+]C(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000061300325 173319685 /nfs/dbraw/zinc/31/96/85/173319685.db2.gz SSPZRWSMYCNRLT-UHFFFAOYSA-N 1 0 237.259 1.531 10 5 BDBERO C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000054588608 173372010 /nfs/dbraw/zinc/37/20/10/173372010.db2.gz JFQWSLMFWGJGIJ-WPRPVWTQSA-N 1 0 206.245 1.918 10 5 BDBERO C[NH2+]Cc1nnc(-c2cccc(C)c2[N+](=O)[O-])o1 ZINC000050615338 173397936 /nfs/dbraw/zinc/39/79/36/173397936.db2.gz GXXOTOSRUHAYMP-UHFFFAOYSA-N 1 0 248.242 1.673 10 5 BDBERO COc1ccc(N[C@@H]2C[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000036268001 175154985 /nfs/dbraw/zinc/15/49/85/175154985.db2.gz LDYIPNVMCVDWIX-IONNQARKSA-N 1 0 223.232 1.115 10 5 BDBERO C[N+]1(C)CCC=C[C@H]1n1nnc2ccccc21 ZINC000005377555 177488238 /nfs/dbraw/zinc/48/82/38/177488238.db2.gz KCULZTIFYRRRLD-ZDUSSCGKSA-N 1 0 229.307 1.966 10 5 BDBERO COc1cccc(N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000394464009 323032072 /nfs/dbraw/zinc/03/20/72/323032072.db2.gz XGJQZWOMBRVKPQ-YUMQZZPRSA-N 1 0 239.275 1.751 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[C@H](C)[NH3+] ZINC000320425902 323565155 /nfs/dbraw/zinc/56/51/55/323565155.db2.gz YNARFSVBJMYVAH-DTWKUNHWSA-N 1 0 238.291 1.836 10 5 BDBERO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000116942491 589059377 /nfs/dbraw/zinc/05/93/77/589059377.db2.gz UVCBKVIFDNGRNQ-MRVPVSSYSA-N 1 0 239.250 1.532 10 5 BDBERO C[NH2+][C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000129106956 591248923 /nfs/dbraw/zinc/24/89/23/591248923.db2.gz BLYKGGWVGVPQPA-MRVPVSSYSA-N 1 0 239.250 1.532 10 5 BDBERO Cc1ccc(N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000132012340 591683148 /nfs/dbraw/zinc/68/31/48/591683148.db2.gz JNGKYPNYLPQCGM-SNVBAGLBSA-N 1 0 235.287 1.831 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cc1F)C1C[NH2+]C1 ZINC000085258469 631792761 /nfs/dbraw/zinc/79/27/61/631792761.db2.gz LJVRBIZTUFPLKZ-UHFFFAOYSA-N 1 0 225.223 1.142 10 5 BDBERO COc1cccc(N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000310241936 632712351 /nfs/dbraw/zinc/71/23/51/632712351.db2.gz BTEBYTRCROXWTC-MRVPVSSYSA-N 1 0 239.275 1.387 10 5 BDBERO Cc1ccc(N2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000235712422 632819505 /nfs/dbraw/zinc/81/95/05/632819505.db2.gz YQLQHQTXOVVXEB-UWVGGRQHSA-N 1 0 235.287 1.687 10 5 BDBERO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000311025654 633052432 /nfs/dbraw/zinc/05/24/32/633052432.db2.gz CBSUCSDWULHBJK-ZWNOBZJWSA-N 1 0 247.298 1.783 10 5 BDBERO C[NH2+][C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054053214 635339759 /nfs/dbraw/zinc/33/97/59/635339759.db2.gz GZDNOCWJJMZWLD-SSDOTTSWSA-N 1 0 248.242 1.925 10 5 BDBERO [NH3+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000044531755 640400859 /nfs/dbraw/zinc/40/08/59/640400859.db2.gz PRBDCJIIMPPKEA-JTQLQIEISA-N 1 0 235.287 1.770 10 5 BDBERO CCN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000071314127 643125508 /nfs/dbraw/zinc/12/55/08/643125508.db2.gz DYQXORSVMRAWIC-VIFPVBQESA-N 1 0 236.275 1.178 10 5 BDBERO C[C@@H]([NH3+])CNc1cccc(F)c1[N+](=O)[O-] ZINC000082575595 643347276 /nfs/dbraw/zinc/34/72/76/643347276.db2.gz QPCNRMKJENZUIZ-ZCFIWIBFSA-N 1 0 213.212 1.493 10 5 BDBERO Cc1ccc(N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050249800 643664946 /nfs/dbraw/zinc/66/49/46/643664946.db2.gz IZOZUFMLWAKQGY-JTQLQIEISA-N 1 0 235.287 1.688 10 5 BDBERO C[NH2+]C[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000701893115 711863947 /nfs/dbraw/zinc/86/39/47/711863947.db2.gz XDUFCSQWEREWOM-QMMMGPOBSA-N 1 0 224.264 1.318 10 5 BDBERO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000050249470 711493784 /nfs/dbraw/zinc/49/37/84/711493784.db2.gz XJLPIULKPBNCRH-VIFPVBQESA-N 1 0 221.260 1.380 10 5 BDBERO [NH3+]CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000723672126 711533508 /nfs/dbraw/zinc/53/35/08/711533508.db2.gz JKNNHTSSPKEYQL-SECBINFHSA-N 1 0 236.275 1.165 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000721970619 711852806 /nfs/dbraw/zinc/85/28/06/711852806.db2.gz DFHAJSQUBYYPOM-HTQZYQBOSA-N 1 0 222.248 1.010 10 5 BDBERO [NH3+]CCCCCCNc1ncc([N+](=O)[O-])cn1 ZINC000700488682 711994255 /nfs/dbraw/zinc/99/42/55/711994255.db2.gz JEHLCABIJUNVAI-UHFFFAOYSA-N 1 0 239.279 1.316 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000700736906 712004520 /nfs/dbraw/zinc/00/45/20/712004520.db2.gz ITASOZBJPUPPHC-DTWKUNHWSA-N 1 0 236.275 1.461 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000708838145 712200048 /nfs/dbraw/zinc/20/00/48/712200048.db2.gz BKQMSSYASCKQOT-VHSXEESVSA-N 1 0 235.287 1.626 10 5 BDBERO [NH3+][C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000715072914 712506282 /nfs/dbraw/zinc/50/62/82/712506282.db2.gz BRFBHQAHVJOSEK-KYZUINATSA-N 1 0 221.260 1.744 10 5 BDBERO Cc1cc(NC[C@H]2C[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000715082855 712507269 /nfs/dbraw/zinc/50/72/69/712507269.db2.gz SFSCMMJJYJFBNH-DTORHVGOSA-N 1 0 236.275 1.447 10 5 BDBERO [NH3+]C1CC(CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000715096044 712508442 /nfs/dbraw/zinc/50/84/42/712508442.db2.gz HRENRWUFBCXPOG-UHFFFAOYSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+][C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000715145864 712512570 /nfs/dbraw/zinc/51/25/70/712512570.db2.gz HATDHPMECNGGJL-DTORHVGOSA-N 1 0 221.260 1.744 10 5 BDBERO C[NH2+]CCN(c1ncccc1[N+](=O)[O-])C(C)C ZINC000720791280 712865774 /nfs/dbraw/zinc/86/57/74/712865774.db2.gz MMGORRVOTKSDGZ-UHFFFAOYSA-N 1 0 238.291 1.424 10 5 BDBERO Cc1ccnc(N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320012268 342731350 /nfs/dbraw/zinc/73/13/50/342731350.db2.gz AEYPNLSTHQEEIA-BDAKNGLRSA-N 1 0 238.291 1.836 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000320320423 342733143 /nfs/dbraw/zinc/73/31/43/342733143.db2.gz KWYJGSAWZUUROV-IONNQARKSA-N 1 0 238.291 1.836 10 5 BDBERO [NH3+]CCSc1ccc([N+](=O)[O-])cc1F ZINC000149335356 342793794 /nfs/dbraw/zinc/79/37/94/342793794.db2.gz NRADDWNYLLWCNT-UHFFFAOYSA-N 1 0 216.237 1.785 10 5 BDBERO Cc1ccnc(N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000310521623 398334956 /nfs/dbraw/zinc/33/49/56/398334956.db2.gz ULPFOHDQYRGDTC-SECBINFHSA-N 1 0 238.291 1.838 10 5 BDBERO C[C@H]([NH3+])Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000584881081 343082014 /nfs/dbraw/zinc/08/20/14/343082014.db2.gz NBBCSVBACICFLE-ZETCQYMHSA-N 1 0 219.244 1.966 10 5 BDBERO Cc1nn(C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000584881432 343082499 /nfs/dbraw/zinc/08/24/99/343082499.db2.gz UBOQZQOFTOAHDG-UHFFFAOYSA-N 1 0 210.237 1.024 10 5 BDBERO COc1cc(C2([NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000309374133 343345386 /nfs/dbraw/zinc/34/53/86/343345386.db2.gz PUYGMOKJKTTYNE-UHFFFAOYSA-N 1 0 222.244 1.860 10 5 BDBERO CC[C@@H]([NH3+])CNc1cccc(OC)c1[N+](=O)[O-] ZINC000135053327 343620645 /nfs/dbraw/zinc/62/06/45/343620645.db2.gz AKDGUHSNFFWSBC-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO [NH3+]C[C@@H]1CC[C@H](c2cccc([N+](=O)[O-])c2)CO1 ZINC000536956830 343652269 /nfs/dbraw/zinc/65/22/69/343652269.db2.gz CKGGDLMXVRCDFF-JQWIXIFHSA-N 1 0 236.271 1.816 10 5 BDBERO C[C@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000381632599 344528405 /nfs/dbraw/zinc/52/84/05/344528405.db2.gz VOZCBGWHRMOANU-WDSKDSINSA-N 1 0 244.682 1.791 10 5 BDBERO C[C@@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000381632598 344528610 /nfs/dbraw/zinc/52/86/10/344528610.db2.gz VOZCBGWHRMOANU-RITPCOANSA-N 1 0 244.682 1.791 10 5 BDBERO C[C@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000381690550 344535159 /nfs/dbraw/zinc/53/51/59/344535159.db2.gz FKMXCBXQDINAJA-BQBZGAKWSA-N 1 0 210.237 1.137 10 5 BDBERO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381696580 344535195 /nfs/dbraw/zinc/53/51/95/344535195.db2.gz GHLNTQUFEGPRRR-NKWVEPMBSA-N 1 0 210.237 1.137 10 5 BDBERO [NH3+][C@@H](CCO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044232493 344988634 /nfs/dbraw/zinc/98/86/34/344988634.db2.gz YXCHWFXDGWSCSI-QMMMGPOBSA-N 1 0 230.651 1.630 10 5 BDBERO C[C@H]([NH3+])CNc1nc2sccn2c1[N+](=O)[O-] ZINC000082575124 345439859 /nfs/dbraw/zinc/43/98/59/345439859.db2.gz NKHNIPDIUFMIPH-YFKPBYRVSA-N 1 0 241.276 1.063 10 5 BDBERO [NH3+]CCc1cccc([N+](=O)[O-])c1Br ZINC000236279191 346218051 /nfs/dbraw/zinc/21/80/51/346218051.db2.gz FHDLEABIJAWLQJ-UHFFFAOYSA-N 1 0 245.076 1.859 10 5 BDBERO Cc1cc(N[C@@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000390645562 259396412 /nfs/dbraw/zinc/39/64/12/259396412.db2.gz MEMUUVBVKNAXBQ-ZETCQYMHSA-N 1 0 227.239 1.801 10 5 BDBERO [NH3+]C1(CNc2ncc([N+](=O)[O-])cn2)CCCC1 ZINC000594694361 348101218 /nfs/dbraw/zinc/10/12/18/348101218.db2.gz IXORWAPAZCPQLV-UHFFFAOYSA-N 1 0 237.263 1.068 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000596032175 348427375 /nfs/dbraw/zinc/42/73/75/348427375.db2.gz IFFVCAKHGNQKPG-LURJTMIESA-N 1 0 244.682 1.663 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596033138 348428087 /nfs/dbraw/zinc/42/80/87/348428087.db2.gz RANUNPQTYZXIAH-ZETCQYMHSA-N 1 0 210.237 1.010 10 5 BDBERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382431967 350776188 /nfs/dbraw/zinc/77/61/88/350776188.db2.gz RFSHJLVOIKINIS-BDAKNGLRSA-N 1 0 236.275 1.529 10 5 BDBERO C[C@@H](C[NH3+])N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000382975908 351120399 /nfs/dbraw/zinc/12/03/99/351120399.db2.gz KVKIWFIHYJHPSI-LURJTMIESA-N 1 0 244.682 1.427 10 5 BDBERO O=[N+]([O-])c1c(NC2C[NH2+]C2)ccc2ncccc21 ZINC000090289381 363032154 /nfs/dbraw/zinc/03/21/54/363032154.db2.gz PCLUPRFIYGBBSD-UHFFFAOYSA-N 1 0 244.254 1.527 10 5 BDBERO O=[N+]([O-])c1cccc2c1CC[C@H]2N1CC[NH2+]CC1 ZINC000725270816 538102599 /nfs/dbraw/zinc/10/25/99/538102599.db2.gz FDJAPYWDVALBNR-GFCCVEGCSA-N 1 0 247.298 1.487 10 5 BDBERO Cc1nc(NC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000124124710 356292556 /nfs/dbraw/zinc/29/25/56/356292556.db2.gz REELCBXAJGPFMO-LURJTMIESA-N 1 0 210.237 1.057 10 5 BDBERO O=[N+]([O-])c1c(Cl)cccc1NC1=[NH+]CCN1 ZINC000675073483 538505858 /nfs/dbraw/zinc/50/58/58/538505858.db2.gz YQOSCJOPXRTYTK-UHFFFAOYSA-N 1 0 240.650 1.619 10 5 BDBERO [NH3+]C[C@@H]1CCOc2c1cccc2[N+](=O)[O-] ZINC000675073831 538506641 /nfs/dbraw/zinc/50/66/41/538506641.db2.gz NUPGYOYDNJJNLS-ZETCQYMHSA-N 1 0 208.217 1.420 10 5 BDBERO CC[NH+](CC)CCOc1ccc([N+](=O)[O-])nc1 ZINC000584602695 358260543 /nfs/dbraw/zinc/26/05/43/358260543.db2.gz SGWIDCJKAFSXIT-UHFFFAOYSA-N 1 0 239.275 1.710 10 5 BDBERO [NH3+][C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000306538295 360404399 /nfs/dbraw/zinc/40/43/99/360404399.db2.gz JOMMHCLKNZOZOB-LURJTMIESA-N 1 0 213.262 1.194 10 5 BDBERO [NH3+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000034979731 181355768 /nfs/dbraw/zinc/35/57/68/181355768.db2.gz JBMSUORVNSLYBM-UHFFFAOYSA-N 1 0 229.623 1.145 10 5 BDBERO [NH3+]CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000033817847 181384537 /nfs/dbraw/zinc/38/45/37/181384537.db2.gz HXFZDGFKNQYTQU-UHFFFAOYSA-N 1 0 230.651 1.976 10 5 BDBERO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000087384368 181421756 /nfs/dbraw/zinc/42/17/56/181421756.db2.gz QAVWXHIJIVKVDG-LLVKDONJSA-N 1 0 239.250 1.883 10 5 BDBERO CC[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C ZINC000082579259 371009752 /nfs/dbraw/zinc/00/97/52/371009752.db2.gz QLOCRRINNCBTCL-MRVPVSSYSA-N 1 0 224.264 1.447 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]([NH3+])C(C)C)n1 ZINC000162865278 371871515 /nfs/dbraw/zinc/87/15/15/371871515.db2.gz DNMYKWUMSRZEEE-VIFPVBQESA-N 1 0 238.291 1.693 10 5 BDBERO O=[N+]([O-])c1ccc(OC[C@@H]2CCC[NH2+]2)nc1 ZINC000051866279 182938941 /nfs/dbraw/zinc/93/89/41/182938941.db2.gz TXNVPBGUXGJDBL-QMMMGPOBSA-N 1 0 223.232 1.121 10 5 BDBERO CCCC[N+]12CCC(CC1)[C@H](OC(C)=O)C2 ZINC000003171414 169016047 /nfs/dbraw/zinc/01/60/47/169016047.db2.gz IMWISRHCKLGAAY-ROKHWSDSSA-N 1 0 226.340 1.959 10 5 BDBERO C[C@H](CC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000336671462 384248888 /nfs/dbraw/zinc/24/88/88/384248888.db2.gz SHAMZYASVVBRNY-ZCFIWIBFSA-N 1 0 244.682 1.792 10 5 BDBERO C[C@H](CC[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309484085 384537788 /nfs/dbraw/zinc/53/77/88/384537788.db2.gz XIQYKBIEPXVYEQ-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO [NH3+]CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000236218306 385077383 /nfs/dbraw/zinc/07/73/83/385077383.db2.gz BJMSPBSMKFVFEI-UHFFFAOYSA-N 1 0 230.655 1.404 10 5 BDBERO O=[N+]([O-])c1ccc([C@@H]2O[C@H]3C[NH2+][C@@H]2C3)cc1 ZINC000584626921 385678076 /nfs/dbraw/zinc/67/80/76/385678076.db2.gz OWEAKOSTACIOOQ-MXWKQRLJSA-N 1 0 220.228 1.397 10 5 BDBERO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408348124 386167122 /nfs/dbraw/zinc/16/71/22/386167122.db2.gz ZCZTWFAOBRZSSA-IUCAKERBSA-N 1 0 238.291 1.559 10 5 BDBERO CCc1cc(C[NH3+])c([N+](=O)[O-])c(OC)c1 ZINC000575725617 387458547 /nfs/dbraw/zinc/45/85/47/387458547.db2.gz LKOBVKCTCLUGAC-UHFFFAOYSA-N 1 0 210.233 1.625 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH3+] ZINC000125758483 388806542 /nfs/dbraw/zinc/80/65/42/388806542.db2.gz LWPUQBARCDSINU-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO CN(C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cn1 ZINC000095070931 388758115 /nfs/dbraw/zinc/75/81/15/388758115.db2.gz ZWIXFFQJJZCUQV-SECBINFHSA-N 1 0 236.275 1.178 10 5 BDBERO C[C@@H]([NH3+])CCNc1ccccc1[N+](=O)[O-] ZINC000063171363 134524203 /nfs/dbraw/zinc/52/42/03/134524203.db2.gz XPHZSFMXYWYPQD-MRVPVSSYSA-N 1 0 209.249 1.744 10 5 BDBERO Cc1ccc(N2CC[C@@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261542726 135182958 /nfs/dbraw/zinc/18/29/58/135182958.db2.gz CJXFIBXPHDTXGV-VHSXEESVSA-N 1 0 235.287 1.829 10 5 BDBERO CCN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328460249 170013328 /nfs/dbraw/zinc/01/33/28/170013328.db2.gz GXDFMBBZMZIQHH-GFCCVEGCSA-N 1 0 249.314 1.779 10 5 BDBERO CCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328460250 170021589 /nfs/dbraw/zinc/02/15/89/170021589.db2.gz GXDFMBBZMZIQHH-LBPRGKRZSA-N 1 0 249.314 1.779 10 5 BDBERO CC[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000038086743 171597162 /nfs/dbraw/zinc/59/71/62/171597162.db2.gz IZELXJMVSZMQEK-CYBMUJFWSA-N 1 0 249.314 1.951 10 5 BDBERO CN(C(=O)[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000062112602 172333506 /nfs/dbraw/zinc/33/35/06/172333506.db2.gz NVERKJAKIZJNBC-VIFPVBQESA-N 1 0 249.270 1.167 10 5 BDBERO C[NH+](C)CCOc1ccc([N+](=O)[O-])cc1N ZINC000031993849 172473176 /nfs/dbraw/zinc/47/31/76/172473176.db2.gz SULFREFJLYBPGP-UHFFFAOYSA-N 1 0 225.248 1.117 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2cccc([N+](=O)[O-])c2)C1 ZINC000042548066 173125042 /nfs/dbraw/zinc/12/50/42/173125042.db2.gz INJLTDFBQIKDJK-SNVBAGLBSA-N 1 0 221.260 1.711 10 5 BDBERO C[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000034979685 173333947 /nfs/dbraw/zinc/33/39/47/173333947.db2.gz KDJACBVRVLFUEV-UHFFFAOYSA-N 1 0 223.232 1.061 10 5 BDBERO C[NH2+]C[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000054588592 173382658 /nfs/dbraw/zinc/38/26/58/173382658.db2.gz FXVNLTSPMLNYFS-KOLCDFICSA-N 1 0 206.245 1.918 10 5 BDBERO COc1cccc(N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336726397 175279978 /nfs/dbraw/zinc/27/99/78/175279978.db2.gz VNHUIAGTONJWJZ-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO Cc1nc(N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320402084 323176912 /nfs/dbraw/zinc/17/69/12/323176912.db2.gz VJUYZCRRBQGLER-HTQZYQBOSA-N 1 0 238.291 1.836 10 5 BDBERO C[C@@H](C[NH3+])Nc1nc2sccn2c1[N+](=O)[O-] ZINC000082576412 325542926 /nfs/dbraw/zinc/54/29/26/325542926.db2.gz ZOVASRDBXIFISU-YFKPBYRVSA-N 1 0 241.276 1.063 10 5 BDBERO [NH3+]CCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000757136014 582514868 /nfs/dbraw/zinc/51/48/68/582514868.db2.gz KBEDBQQJJZSJLH-UHFFFAOYSA-N 1 0 240.650 1.557 10 5 BDBERO CC[C@@H]1Oc2c(cccc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757175683 582552710 /nfs/dbraw/zinc/55/27/10/582552710.db2.gz GUABGESPHADNST-DTWKUNHWSA-N 1 0 208.217 1.766 10 5 BDBERO COc1cc(N[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1C ZINC000310282981 635495126 /nfs/dbraw/zinc/49/51/26/635495126.db2.gz LLHGTFBIPVHWSS-QMMMGPOBSA-N 1 0 239.275 1.671 10 5 BDBERO C[C@@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])cc1F ZINC000309179127 632687058 /nfs/dbraw/zinc/68/70/58/632687058.db2.gz BONRXEWUYJKUIR-SSDOTTSWSA-N 1 0 227.239 1.517 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH3+])[C@H]1C ZINC000310092251 632700053 /nfs/dbraw/zinc/70/00/53/632700053.db2.gz RZMITRCNUCGXDL-MWLCHTKSSA-N 1 0 235.287 1.829 10 5 BDBERO CC(C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310375032 632734289 /nfs/dbraw/zinc/73/42/89/632734289.db2.gz YYRLIDJUKAOBRU-UHFFFAOYSA-N 1 0 242.250 1.594 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH3+])C1 ZINC000041030137 636952477 /nfs/dbraw/zinc/95/24/77/636952477.db2.gz FVGRHHNNJRPKQZ-JTQLQIEISA-N 1 0 235.287 1.831 10 5 BDBERO CN(CCC[NH3+])c1c(F)cc([N+](=O)[O-])cc1F ZINC000234296558 642428971 /nfs/dbraw/zinc/42/89/71/642428971.db2.gz RBBZRKNOQOZMOP-UHFFFAOYSA-N 1 0 245.229 1.658 10 5 BDBERO C[NH2+]CCN(c1ccc([N+](=O)[O-])nc1)C(C)C ZINC000720792894 712865816 /nfs/dbraw/zinc/86/58/16/712865816.db2.gz YYHNILNBRZWWBD-UHFFFAOYSA-N 1 0 238.291 1.424 10 5 BDBERO [NH3+]CC[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000723681963 711534206 /nfs/dbraw/zinc/53/42/06/711534206.db2.gz CJXXWECHCGMFPJ-SSDOTTSWSA-N 1 0 242.304 1.226 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708853103 712201428 /nfs/dbraw/zinc/20/14/28/712201428.db2.gz DFODNFGXCAHRCD-MNOVXSKESA-N 1 0 249.314 1.934 10 5 BDBERO [NH3+]C1CC(CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000715085241 712507670 /nfs/dbraw/zinc/50/76/70/712507670.db2.gz HATDHPMECNGGJL-UHFFFAOYSA-N 1 0 221.260 1.744 10 5 BDBERO [NH3+]C1CC(CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000715096054 712508397 /nfs/dbraw/zinc/50/83/97/712508397.db2.gz HUSLBXNWLUDPDE-UHFFFAOYSA-N 1 0 239.250 1.883 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715094447 712508443 /nfs/dbraw/zinc/50/84/43/712508443.db2.gz UVRGRKMTCQPXRX-KYZUINATSA-N 1 0 236.275 1.447 10 5 BDBERO C[N+]1(Cc2ccccc2)CCN(N=O)CC1 ZINC000033883478 717123113 /nfs/dbraw/zinc/12/31/13/717123113.db2.gz LYIPARFQADNYPN-UHFFFAOYSA-N 1 0 220.296 1.630 10 5 BDBERO Clc1ccc(C[N+]23CCN(CC2)CC3)cn1 ZINC000071782160 717133748 /nfs/dbraw/zinc/13/37/48/717133748.db2.gz NVXKFEYNPZXTRA-UHFFFAOYSA-N 1 0 238.742 1.381 10 5 BDBERO C[C@@H]1CC[C@@H](C)[NH+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408256583 136212969 /nfs/dbraw/zinc/21/29/69/136212969.db2.gz NPBLOCWWDLULPR-RKDXNWHRSA-N 1 0 238.291 1.701 10 5 BDBERO Cc1cc([N+](=O)[O-])c(C)cc1OCC[NH3+] ZINC000062998114 178270230 /nfs/dbraw/zinc/27/02/30/178270230.db2.gz QVPBFRWTAVMGBA-UHFFFAOYSA-N 1 0 210.233 1.549 10 5 BDBERO C[C@@H]([NH3+])C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000320449102 342734028 /nfs/dbraw/zinc/73/40/28/342734028.db2.gz CCLGWNMMIJBVJP-SFYZADRCSA-N 1 0 224.264 1.528 10 5 BDBERO [NH3+]Cc1cnc([N+](=O)[O-])cc1OC(F)(F)F ZINC000309191551 342907258 /nfs/dbraw/zinc/90/72/58/342907258.db2.gz ONOVJSKTHOYPFO-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000600961322 344020116 /nfs/dbraw/zinc/02/01/16/344020116.db2.gz PVZQGVIIDQQFOX-NKWVEPMBSA-N 1 0 242.304 1.082 10 5 BDBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]2CO)cs1 ZINC000308935986 259341065 /nfs/dbraw/zinc/34/10/65/259341065.db2.gz OECZUXYWZMBKOA-JGVFFNPUSA-N 1 0 228.273 1.127 10 5 BDBERO [NH3+]Cc1c(OC(F)(F)F)ccnc1[N+](=O)[O-] ZINC000309412298 343418775 /nfs/dbraw/zinc/41/87/75/343418775.db2.gz GHMBUQAHCFPTCL-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO CC[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000038086742 343942334 /nfs/dbraw/zinc/94/23/34/343942334.db2.gz IZELXJMVSZMQEK-ZDUSSCGKSA-N 1 0 249.314 1.951 10 5 BDBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])c(C)c1 ZINC000165939101 344240173 /nfs/dbraw/zinc/24/01/73/344240173.db2.gz ZUHRWWVOWAWADJ-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO CC[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000389320020 344441807 /nfs/dbraw/zinc/44/18/07/344441807.db2.gz GHVPGPCNKXKAGI-VIFPVBQESA-N 1 0 236.275 1.496 10 5 BDBERO COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000381348852 344496338 /nfs/dbraw/zinc/49/63/38/344496338.db2.gz HLRVPLNCOOPBEJ-SFYZADRCSA-N 1 0 239.275 1.751 10 5 BDBERO C[C@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000381678563 344534795 /nfs/dbraw/zinc/53/47/95/344534795.db2.gz CTDZONISUMBBQF-BQBZGAKWSA-N 1 0 210.237 1.137 10 5 BDBERO O=[N+]([O-])c1cccc(COC2C[NH2+]C2)c1 ZINC000062809846 347081997 /nfs/dbraw/zinc/08/19/97/347081997.db2.gz XMCINNICRJKMQU-UHFFFAOYSA-N 1 0 208.217 1.083 10 5 BDBERO Cc1ccc(NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000336686022 178760505 /nfs/dbraw/zinc/76/05/05/178760505.db2.gz UKWXXXKGQPACTN-VIFPVBQESA-N 1 0 223.276 1.910 10 5 BDBERO Cc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600963669 344949053 /nfs/dbraw/zinc/94/90/53/344949053.db2.gz YHWGIHSMIYKPCI-UWVGGRQHSA-N 1 0 235.287 1.829 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[NH3+] ZINC000082575216 345439812 /nfs/dbraw/zinc/43/98/12/345439812.db2.gz MYGWVTPJLAAMQK-ZETCQYMHSA-N 1 0 210.237 1.057 10 5 BDBERO C[NH2+]CCCNc1ccc([N+](=O)[O-])cc1 ZINC000038435333 346725350 /nfs/dbraw/zinc/72/53/50/346725350.db2.gz QJZNPEGQDKEOGS-UHFFFAOYSA-N 1 0 209.249 1.616 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000596031171 348426767 /nfs/dbraw/zinc/42/67/67/348426767.db2.gz AVIDGGCURUZSHA-MRVPVSSYSA-N 1 0 239.275 1.623 10 5 BDBERO Cc1nn([C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000043501481 180392432 /nfs/dbraw/zinc/39/24/32/180392432.db2.gz MYMYTKUTZZFRTD-SECBINFHSA-N 1 0 224.264 1.333 10 5 BDBERO O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC[NH2+]C3 ZINC000213135974 538094329 /nfs/dbraw/zinc/09/43/29/538094329.db2.gz QBMDEBZGACMHHM-UHFFFAOYSA-N 1 0 217.228 1.722 10 5 BDBERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382407252 350599266 /nfs/dbraw/zinc/59/92/66/350599266.db2.gz BQRUDXWSWLJUOF-DTWKUNHWSA-N 1 0 236.275 1.529 10 5 BDBERO CC(C)C[C@H](C[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000111830444 191133832 /nfs/dbraw/zinc/13/38/32/191133832.db2.gz QSQVVCGPLLUQCL-SECBINFHSA-N 1 0 238.291 1.775 10 5 BDBERO C[C@@H]([NH3+])CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000063171401 351269519 /nfs/dbraw/zinc/26/95/19/351269519.db2.gz GOMKXDVWWBQFJR-SSDOTTSWSA-N 1 0 227.239 1.883 10 5 BDBERO O=[N+]([O-])c1ccc(NC2C[NH2+]C2)c2ccncc21 ZINC000090289419 363032393 /nfs/dbraw/zinc/03/23/93/363032393.db2.gz LIIMHFJFMPCSOD-UHFFFAOYSA-N 1 0 244.254 1.527 10 5 BDBERO [NH3+]Cc1cc([N+](=O)[O-])c(Br)cc1F ZINC000307168248 351540529 /nfs/dbraw/zinc/54/05/29/351540529.db2.gz UOGVDDTUAOHGOQ-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO [NH3+]CC[C@H](Nc1ccc([N+](=O)[O-])cn1)C(F)F ZINC000383455403 353137002 /nfs/dbraw/zinc/13/70/02/353137002.db2.gz NEWWLCGCZFPSPL-ZETCQYMHSA-N 1 0 246.217 1.384 10 5 BDBERO O=[N+]([O-])c1ccc(S[C@@H]2CC[NH2+]C2)nc1 ZINC000095091969 188499897 /nfs/dbraw/zinc/49/98/97/188499897.db2.gz IFBCFBCFOGKULC-MRVPVSSYSA-N 1 0 225.273 1.444 10 5 BDBERO C[NH+](C)CCNc1cccc(N)c1[N+](=O)[O-] ZINC000087807410 355867546 /nfs/dbraw/zinc/86/75/46/355867546.db2.gz IEJXOFZGLUUGSI-UHFFFAOYSA-N 1 0 224.264 1.151 10 5 BDBERO Cc1cnc(NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420220580 192194531 /nfs/dbraw/zinc/19/45/31/192194531.db2.gz SLAPVFQJXKCEDA-QMMMGPOBSA-N 1 0 224.264 1.305 10 5 BDBERO COc1cccc(NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000420218153 192194534 /nfs/dbraw/zinc/19/45/34/192194534.db2.gz OYDHZUHYPGXJIB-MRVPVSSYSA-N 1 0 239.275 1.610 10 5 BDBERO O=[N+]([O-])c1cc(Cl)ccc1NC1=[NH+]CCN1 ZINC000675073214 538504965 /nfs/dbraw/zinc/50/49/65/538504965.db2.gz UVNMUCFIIMLZJG-UHFFFAOYSA-N 1 0 240.650 1.619 10 5 BDBERO CN(c1ccc(F)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384800720 356753691 /nfs/dbraw/zinc/75/36/91/356753691.db2.gz XWILJIPDOABEPC-UHFFFAOYSA-N 1 0 239.250 1.660 10 5 BDBERO C[NH+](C)CCOc1ncc(Cl)cc1[N+](=O)[O-] ZINC000584601671 358258600 /nfs/dbraw/zinc/25/86/00/358258600.db2.gz LGYQRIGZSBBEOB-UHFFFAOYSA-N 1 0 245.666 1.584 10 5 BDBERO COC(=O)[C@H]1CCC[C@H]([N+](C)(C)C)C1 ZINC000584630822 358301821 /nfs/dbraw/zinc/30/18/21/358301821.db2.gz OVULEMZVEBYETR-UWVGGRQHSA-N 1 0 200.302 1.424 10 5 BDBERO CCc1nn(C)c(NC[C@@H]([NH3+])CC)c1[N+](=O)[O-] ZINC000091560501 360119369 /nfs/dbraw/zinc/11/93/69/360119369.db2.gz KNMMUJMYCMVYJG-ZETCQYMHSA-N 1 0 241.295 1.040 10 5 BDBERO CC[C@@H]([NH3+])CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000091550078 360119509 /nfs/dbraw/zinc/11/95/09/360119509.db2.gz RQCWQOJZMPVFJR-MRVPVSSYSA-N 1 0 241.295 1.269 10 5 BDBERO [NH3+]C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000095763557 181333560 /nfs/dbraw/zinc/33/35/60/181333560.db2.gz UBPZPTHVZOVIGL-UHFFFAOYSA-N 1 0 222.244 1.559 10 5 BDBERO [NH3+]C1CC(Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000037421022 181340777 /nfs/dbraw/zinc/34/07/77/181340777.db2.gz WPZJMHZNFXQAAK-UHFFFAOYSA-N 1 0 225.223 1.636 10 5 BDBERO [NH3+]C1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000036754286 181345299 /nfs/dbraw/zinc/34/52/99/181345299.db2.gz FFHBYLKHNXBBRM-UHFFFAOYSA-N 1 0 225.248 1.111 10 5 BDBERO [NH3+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034979726 181356102 /nfs/dbraw/zinc/35/61/02/181356102.db2.gz AQIBWWXJJNUPKN-UHFFFAOYSA-N 1 0 229.623 1.145 10 5 BDBERO [NH3+]CC1(c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000011848933 181362583 /nfs/dbraw/zinc/36/25/83/181362583.db2.gz CEZLQHBWZCCGON-UHFFFAOYSA-N 1 0 236.271 1.602 10 5 BDBERO [NH3+]CCCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000050283563 181388395 /nfs/dbraw/zinc/38/83/95/181388395.db2.gz DBYOVKLEULKESG-UHFFFAOYSA-N 1 0 248.242 1.536 10 5 BDBERO [NH3+]CCc1cc(Br)cc([N+](=O)[O-])c1 ZINC000095764790 181411699 /nfs/dbraw/zinc/41/16/99/181411699.db2.gz BASJBMXZJATUBU-UHFFFAOYSA-N 1 0 245.076 1.859 10 5 BDBERO [NH3+][C@@H]1CCCc2ccc([N+](=O)[O-])cc2[C@H]1O ZINC000019795599 371189817 /nfs/dbraw/zinc/18/98/17/371189817.db2.gz SKAPZXGDWMYAFQ-GHMZBOCLSA-N 1 0 222.244 1.292 10 5 BDBERO C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600960888 371718487 /nfs/dbraw/zinc/71/84/87/371718487.db2.gz JQXIRQZDKXDTPW-IUCAKERBSA-N 1 0 236.275 1.021 10 5 BDBERO Cn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000008699741 372854431 /nfs/dbraw/zinc/85/44/31/372854431.db2.gz ZJDODDIUFSTTQO-UHFFFAOYSA-N 1 0 232.243 1.940 10 5 BDBERO O=[N+]([O-])c1cc(F)cc(N[C@H]2CCC[NH2+]C2)c1 ZINC000071397651 182923658 /nfs/dbraw/zinc/92/36/58/182923658.db2.gz YPWNXQBCDRLOAV-VIFPVBQESA-N 1 0 239.250 1.898 10 5 BDBERO C[C@@H](CCC[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000336647205 384244431 /nfs/dbraw/zinc/24/44/31/384244431.db2.gz FJWQKOYSAUMARD-QMMMGPOBSA-N 1 0 224.264 1.529 10 5 BDBERO Cc1cccc(N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000235468542 384409558 /nfs/dbraw/zinc/40/95/58/384409558.db2.gz YYTUENDJCGPLQR-MRVPVSSYSA-N 1 0 209.249 1.662 10 5 BDBERO O=[N+]([O-])C1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000247304876 385019807 /nfs/dbraw/zinc/01/98/07/385019807.db2.gz GJYNUKYVXIQGQH-ZSBIGDGJSA-N 1 0 218.256 1.394 10 5 BDBERO O=[N+]([O-])c1cccc2c1ccnc2NC1C[NH2+]C1 ZINC000516435651 385108000 /nfs/dbraw/zinc/10/80/00/385108000.db2.gz VXFAGHKXDYRQGW-UHFFFAOYSA-N 1 0 244.254 1.527 10 5 BDBERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000336676747 385604265 /nfs/dbraw/zinc/60/42/65/385604265.db2.gz PZPBCPOHCDXJCU-SSDOTTSWSA-N 1 0 227.239 1.741 10 5 BDBERO CN(c1ccc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000095070640 388758384 /nfs/dbraw/zinc/75/83/84/388758384.db2.gz GDFZLEGKFAKVBF-UHFFFAOYSA-N 1 0 236.275 1.178 10 5 BDBERO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000052783510 132229404 /nfs/dbraw/zinc/22/94/04/132229404.db2.gz AFVXJROFAWQVTB-MRVPVSSYSA-N 1 0 239.250 1.532 10 5 BDBERO [NH3+]CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000044514682 132354427 /nfs/dbraw/zinc/35/44/27/132354427.db2.gz OAZMMBINIUPZNA-UHFFFAOYSA-N 1 0 235.287 1.770 10 5 BDBERO CCCC[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC000130580102 134620663 /nfs/dbraw/zinc/62/06/63/134620663.db2.gz UFSYIVWYTISPDX-QMMMGPOBSA-N 1 0 239.279 1.314 10 5 BDBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])nc1 ZINC000336642768 397948546 /nfs/dbraw/zinc/94/85/46/397948546.db2.gz ABSGAFWDBAKQRZ-MRVPVSSYSA-N 1 0 224.264 1.529 10 5 BDBERO CCc1nn(C)c(N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336674489 172038835 /nfs/dbraw/zinc/03/88/35/172038835.db2.gz BXAICOALOOYPLB-ZETCQYMHSA-N 1 0 241.295 1.040 10 5 BDBERO C[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034979679 173334311 /nfs/dbraw/zinc/33/43/11/173334311.db2.gz XMWILHISRDLQHI-UHFFFAOYSA-N 1 0 243.650 1.406 10 5 BDBERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000054588586 173371388 /nfs/dbraw/zinc/37/13/88/173371388.db2.gz FXVNLTSPMLNYFS-GXSJLCMTSA-N 1 0 206.245 1.918 10 5 BDBERO C[NH2+]C[C@@H]1C[C@H]1c1csc([N+](=O)[O-])c1 ZINC000054589013 173372218 /nfs/dbraw/zinc/37/22/18/173372218.db2.gz LBPPHVPSKOFKFC-POYBYMJQSA-N 1 0 212.274 1.979 10 5 BDBERO C[NH2+]Cc1ccc(OCC(F)F)c([N+](=O)[O-])c1 ZINC000037755474 173388783 /nfs/dbraw/zinc/38/87/83/173388783.db2.gz NTCPOAWDDIXOEL-UHFFFAOYSA-N 1 0 246.213 1.958 10 5 BDBERO COc1ccc(N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093706 175154181 /nfs/dbraw/zinc/15/41/81/175154181.db2.gz ZPECHQSFDWTTBP-MRVPVSSYSA-N 1 0 237.259 1.377 10 5 BDBERO C[C@@H]([NH3+])[C@@H](O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000074368715 175809599 /nfs/dbraw/zinc/80/95/99/175809599.db2.gz MFLKYRTVZUDPGX-MLUIRONXSA-N 1 0 214.196 1.115 10 5 BDBERO O=[N+]([O-])c1ccc(C[NH+]2CCCC2)nc1 ZINC000147906785 491072033 /nfs/dbraw/zinc/07/20/33/491072033.db2.gz YHCJSFNAALIDMQ-UHFFFAOYSA-N 1 0 207.233 1.586 10 5 BDBERO C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000111302749 588741598 /nfs/dbraw/zinc/74/15/98/588741598.db2.gz YNRAHXAVZQLREN-LURJTMIESA-N 1 0 240.219 1.262 10 5 BDBERO [NH3+]C[C@@H]1CC(=O)Nc2cc(F)c([N+](=O)[O-])cc21 ZINC000757175396 586433154 /nfs/dbraw/zinc/43/31/54/586433154.db2.gz HGCWKEUBVXAISX-YFKPBYRVSA-N 1 0 239.206 1.118 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)[NH3+])n1 ZINC000309215644 631968693 /nfs/dbraw/zinc/96/86/93/631968693.db2.gz VEXYXIPKPZYRFO-ZETCQYMHSA-N 1 0 224.264 1.082 10 5 BDBERO [NH3+][C@@H]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000309417349 633041359 /nfs/dbraw/zinc/04/13/59/633041359.db2.gz KYYSOZLUUUKEKA-NKWVEPMBSA-N 1 0 242.304 1.591 10 5 BDBERO Cc1cc(N(C)C[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000309460841 633922676 /nfs/dbraw/zinc/92/26/76/633922676.db2.gz ULHQOGNUAHDZQW-MRVPVSSYSA-N 1 0 224.264 1.082 10 5 BDBERO C[C@H]([NH3+])CN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000310304849 634109442 /nfs/dbraw/zinc/10/94/42/634109442.db2.gz RJIFTDPTPRCEHZ-LURJTMIESA-N 1 0 245.229 1.656 10 5 BDBERO [NH3+][C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000039042491 640801113 /nfs/dbraw/zinc/80/11/13/640801113.db2.gz KBBDMTNVMBJAIY-MRVPVSSYSA-N 1 0 241.678 1.786 10 5 BDBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000070534941 643035709 /nfs/dbraw/zinc/03/57/09/643035709.db2.gz MSZVDVDSZPGORZ-UHFFFAOYSA-N 1 0 243.694 1.904 10 5 BDBERO CCN(c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071314128 643124691 /nfs/dbraw/zinc/12/46/91/643124691.db2.gz BVBJYUVCOWYCDN-SNVBAGLBSA-N 1 0 235.287 1.783 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+]C[C@H]1C ZINC000721861420 711791835 /nfs/dbraw/zinc/79/18/35/711791835.db2.gz LWZPEWXBJICDGI-NXEZZACHSA-N 1 0 235.287 1.923 10 5 BDBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1 ZINC000702652255 712058429 /nfs/dbraw/zinc/05/84/29/712058429.db2.gz AZMMCENBOXGQEN-RKDXNWHRSA-N 1 0 221.260 1.521 10 5 BDBERO Cc1cnc(NC[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000715094418 712508491 /nfs/dbraw/zinc/50/84/91/712508491.db2.gz TYIOMMDGWKBKNR-KYZUINATSA-N 1 0 236.275 1.447 10 5 BDBERO [NH3+]C1CC(CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000715096094 712508571 /nfs/dbraw/zinc/50/85/71/712508571.db2.gz INFBCHDZEKWXEL-UHFFFAOYSA-N 1 0 239.250 1.883 10 5 BDBERO [NH3+]C1CC(CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000715114859 712509950 /nfs/dbraw/zinc/50/99/50/712509950.db2.gz ZFWCXZWUAASNDS-UHFFFAOYSA-N 1 0 249.270 1.062 10 5 BDBERO C[NH2+]CCN(c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000720790413 712865846 /nfs/dbraw/zinc/86/58/46/712865846.db2.gz GDOROOFUFGNHPD-UHFFFAOYSA-N 1 0 238.291 1.424 10 5 BDBERO OCC[N@+]1(Cc2ccccc2)C=NCC1 ZINC000306255396 717182133 /nfs/dbraw/zinc/18/21/33/717182133.db2.gz STBQLGGAMIVYMB-CQSZACIVSA-N 1 0 205.281 1.038 10 5 BDBERO C[N+](C)(C)C[C@@H]1COc2ccccc2O1 ZINC000005377514 717099399 /nfs/dbraw/zinc/09/93/99/717099399.db2.gz ZCARQTPMUCCAAV-SNVBAGLBSA-N 1 0 208.281 1.533 10 5 BDBERO CCO[C@]1(C)C[N+](C)(C)[C@@H](C)CC1=O ZINC000005861026 717102771 /nfs/dbraw/zinc/10/27/71/717102771.db2.gz IPRZKFOCCZRWDS-GXSJLCMTSA-N 1 0 200.302 1.219 10 5 BDBERO c1cnc(N2CC[N+]3(CCCCC3)CC2)nc1 ZINC000022011800 717112808 /nfs/dbraw/zinc/11/28/08/717112808.db2.gz KXSWFAGGMNSUNK-UHFFFAOYSA-N 1 0 233.339 1.297 10 5 BDBERO Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000062116581 178147825 /nfs/dbraw/zinc/14/78/25/178147825.db2.gz QIWGHSHPAHPNLK-VIFPVBQESA-N 1 0 249.270 1.451 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)[NH3+] ZINC000035222879 178273315 /nfs/dbraw/zinc/27/33/15/178273315.db2.gz YOVULAPWQKEWHG-SSDOTTSWSA-N 1 0 223.232 1.189 10 5 BDBERO Cc1ccc(-n2ccnc2CC[NH3+])cc1[N+](=O)[O-] ZINC000061701652 178346861 /nfs/dbraw/zinc/34/68/61/178346861.db2.gz YULNIMAJBVSSEE-UHFFFAOYSA-N 1 0 246.270 1.590 10 5 BDBERO C[C@@H]([NH3+])Cc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000584880763 343081503 /nfs/dbraw/zinc/08/15/03/343081503.db2.gz IKGDCCBXPBNXTN-SSDOTTSWSA-N 1 0 219.244 1.966 10 5 BDBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H](C)[NH3+] ZINC000381335978 344496543 /nfs/dbraw/zinc/49/65/43/344496543.db2.gz CXVGAGHUJYJAIV-NKWVEPMBSA-N 1 0 241.295 1.267 10 5 BDBERO C[C@H]([NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000235488738 344923623 /nfs/dbraw/zinc/92/36/23/344923623.db2.gz OTWDBACURNOOKY-YFKPBYRVSA-N 1 0 231.202 1.632 10 5 BDBERO C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000082575551 345440882 /nfs/dbraw/zinc/44/08/82/345440882.db2.gz OHBUGOFWKOSPOP-LURJTMIESA-N 1 0 213.212 1.493 10 5 BDBERO [NH3+]C1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC000594692017 348100018 /nfs/dbraw/zinc/10/00/18/348100018.db2.gz JRDQGQPLZMTCKR-UHFFFAOYSA-N 1 0 236.275 1.673 10 5 BDBERO C[NH2+]C[C@@H](C)Nc1c(C)cccc1[N+](=O)[O-] ZINC000596031247 348426640 /nfs/dbraw/zinc/42/66/40/348426640.db2.gz DCXMBYQECWRBJT-SECBINFHSA-N 1 0 223.276 1.923 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000596031204 348426719 /nfs/dbraw/zinc/42/67/19/348426719.db2.gz BWCSRXSSCMJPHB-YFKPBYRVSA-N 1 0 216.266 1.071 10 5 BDBERO C[NH2+]Cc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000034626686 348720460 /nfs/dbraw/zinc/72/04/60/348720460.db2.gz RMUBVWYKEAVVEH-UHFFFAOYSA-N 1 0 217.228 1.862 10 5 BDBERO O=[N+]([O-])c1ccc(COC[C@@H]2CCC[NH2+]2)cc1 ZINC000051816398 350136278 /nfs/dbraw/zinc/13/62/78/350136278.db2.gz CZFODGICHZAMAR-NSHDSACASA-N 1 0 236.271 1.863 10 5 BDBERO Cc1nc2ccccn2c1C[N+](C)(C)C ZINC000071373311 180107062 /nfs/dbraw/zinc/10/70/62/180107062.db2.gz IRKCGTJSKRSPGE-UHFFFAOYSA-N 1 0 204.297 1.849 10 5 BDBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382407254 350599687 /nfs/dbraw/zinc/59/96/87/350599687.db2.gz BQRUDXWSWLJUOF-IUCAKERBSA-N 1 0 236.275 1.529 10 5 BDBERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000382431968 350776226 /nfs/dbraw/zinc/77/62/26/350776226.db2.gz RFSHJLVOIKINIS-DTWKUNHWSA-N 1 0 236.275 1.529 10 5 BDBERO Cc1cc(N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000383001228 351162749 /nfs/dbraw/zinc/16/27/49/351162749.db2.gz SSCZARAIIOCXDK-VIFPVBQESA-N 1 0 223.276 1.687 10 5 BDBERO CC[C@H]([NH3+])CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772183 363014794 /nfs/dbraw/zinc/01/47/94/363014794.db2.gz DYUYGXXBSDQSSK-ZETCQYMHSA-N 1 0 249.274 1.620 10 5 BDBERO C[C@H]([NH3+])CCNc1ccccc1[N+](=O)[O-] ZINC000063171362 351269649 /nfs/dbraw/zinc/26/96/49/351269649.db2.gz XPHZSFMXYWYPQD-QMMMGPOBSA-N 1 0 209.249 1.744 10 5 BDBERO C[C@@H]1CN(c2ccc(C=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000725271972 538103729 /nfs/dbraw/zinc/10/37/29/538103729.db2.gz KSCWOKZFOJRHDL-SECBINFHSA-N 1 0 249.270 1.205 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)C[NH3+] ZINC000420210291 192176069 /nfs/dbraw/zinc/17/60/69/192176069.db2.gz CVQHHPGADLSZOO-QMMMGPOBSA-N 1 0 223.276 1.910 10 5 BDBERO CC[NH2+]CCCNc1ncc([N+](=O)[O-])cc1C ZINC000052813011 352981282 /nfs/dbraw/zinc/98/12/82/352981282.db2.gz XLXNJUGZAHMWLC-UHFFFAOYSA-N 1 0 238.291 1.710 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1C1([NH3+])CC(O)C1 ZINC000675058535 538481392 /nfs/dbraw/zinc/48/13/92/538481392.db2.gz KMEJFHSTIKSMNU-UHFFFAOYSA-N 1 0 222.244 1.212 10 5 BDBERO COC1(Cc2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC000584591871 358250283 /nfs/dbraw/zinc/25/02/83/358250283.db2.gz ZUTHCERCOLGBJO-UHFFFAOYSA-N 1 0 222.244 1.126 10 5 BDBERO CCN(CC[NH3+])c1cc(OC)ccc1[N+](=O)[O-] ZINC000122823784 363848487 /nfs/dbraw/zinc/84/84/87/363848487.db2.gz RLRNGLOUYVHTLC-UHFFFAOYSA-N 1 0 239.275 1.388 10 5 BDBERO [NH3+]CCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474708 181382906 /nfs/dbraw/zinc/38/29/06/181382906.db2.gz SUBIVXFYLCOSTG-UHFFFAOYSA-N 1 0 213.212 1.495 10 5 BDBERO [NH3+]CCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035060508 181383449 /nfs/dbraw/zinc/38/34/49/181383449.db2.gz QMIWDKMYOAAPNW-UHFFFAOYSA-N 1 0 246.270 1.904 10 5 BDBERO Cc1cccc([N+](=O)[O-])c1N(C)CCC[NH3+] ZINC000125760598 371394893 /nfs/dbraw/zinc/39/48/93/371394893.db2.gz DQBXZNPFRHSCJU-UHFFFAOYSA-N 1 0 223.276 1.688 10 5 BDBERO C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600960886 371714964 /nfs/dbraw/zinc/71/49/64/371714964.db2.gz JQXIRQZDKXDTPW-DTWKUNHWSA-N 1 0 236.275 1.021 10 5 BDBERO CC(C)(C[NH3+])Nc1ncc([N+](=O)[O-])s1 ZINC000226779931 371742715 /nfs/dbraw/zinc/74/27/15/371742715.db2.gz DSPOMSAZXVANNL-UHFFFAOYSA-N 1 0 216.266 1.201 10 5 BDBERO CN(CCC[NH3+])c1ncc(Cl)cc1[N+](=O)[O-] ZINC000227750078 371929561 /nfs/dbraw/zinc/92/95/61/371929561.db2.gz KAVYYXBKIZIUTQ-UHFFFAOYSA-N 1 0 244.682 1.428 10 5 BDBERO CN(CCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000134164356 372171155 /nfs/dbraw/zinc/17/11/55/372171155.db2.gz BMCHUGSRTCXIMU-UHFFFAOYSA-N 1 0 209.249 1.380 10 5 BDBERO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000034939004 182361877 /nfs/dbraw/zinc/36/18/77/182361877.db2.gz PNPWZWHXQLOTRJ-SECBINFHSA-N 1 0 249.270 1.533 10 5 BDBERO C[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC000235118786 384200442 /nfs/dbraw/zinc/20/04/42/384200442.db2.gz RRQXOHGHPRWKDF-YFKPBYRVSA-N 1 0 230.655 1.402 10 5 BDBERO C[C@H](CCC[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC000336647204 384245576 /nfs/dbraw/zinc/24/55/76/384245576.db2.gz FJWQKOYSAUMARD-MRVPVSSYSA-N 1 0 224.264 1.529 10 5 BDBERO CC[C@@H]([NH3+])CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000336724712 384256727 /nfs/dbraw/zinc/25/67/27/384256727.db2.gz UUIRAHAVEDXSQU-MRVPVSSYSA-N 1 0 241.295 1.269 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000084718386 384853771 /nfs/dbraw/zinc/85/37/71/384853771.db2.gz BCYQMDHGDPEUDJ-MRVPVSSYSA-N 1 0 209.249 1.744 10 5 BDBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111304633 385502892 /nfs/dbraw/zinc/50/28/92/385502892.db2.gz XMDORMHWMSATFD-MRVPVSSYSA-N 1 0 239.275 1.753 10 5 BDBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1 ZINC000336687242 385703326 /nfs/dbraw/zinc/70/33/26/385703326.db2.gz LIAXOCIODJEGNN-QMMMGPOBSA-N 1 0 209.249 1.744 10 5 BDBERO COc1cc(N[C@@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860279 388371531 /nfs/dbraw/zinc/37/15/31/388371531.db2.gz LINVSZLLKRWTNP-LURJTMIESA-N 1 0 243.238 1.502 10 5 BDBERO O=[N+]([O-])c1ccc2[nH]c(O[C@@H]3CC[NH2+]C3)nc2c1 ZINC000094772346 388391474 /nfs/dbraw/zinc/39/14/74/388391474.db2.gz FHKRZJIJGCWVHD-MRVPVSSYSA-N 1 0 248.242 1.212 10 5 BDBERO Cc1ccc2ccc(C(N)=[NH2+])nc2c1[N+](=O)[O-] ZINC000067173648 388694212 /nfs/dbraw/zinc/69/42/12/388694212.db2.gz DGCKKIKWOPTEOK-UHFFFAOYSA-N 1 0 230.227 1.735 10 5 BDBERO C[NH2+][C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000055421589 388837462 /nfs/dbraw/zinc/83/74/62/388837462.db2.gz KCWGSCCTSOHUMB-LURJTMIESA-N 1 0 241.222 1.280 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000261564545 135206861 /nfs/dbraw/zinc/20/68/61/135206861.db2.gz XSFHVQVUPHZNNI-BDAKNGLRSA-N 1 0 236.275 1.224 10 5 BDBERO CCN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000336892189 170011662 /nfs/dbraw/zinc/01/16/62/170011662.db2.gz JJRHWQPOTRETOC-GFCCVEGCSA-N 1 0 249.314 1.779 10 5 BDBERO CCN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000336892190 170020770 /nfs/dbraw/zinc/02/07/70/170020770.db2.gz JJRHWQPOTRETOC-LBPRGKRZSA-N 1 0 249.314 1.779 10 5 BDBERO CC[NH2+]C[C@H](O)Cc1ccccc1[N+](=O)[O-] ZINC000071531578 170122850 /nfs/dbraw/zinc/12/28/50/170122850.db2.gz LTTLJCXOQTUAPS-SNVBAGLBSA-N 1 0 224.260 1.108 10 5 BDBERO CN1CCN(C(=[NH2+])c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062995650 173063421 /nfs/dbraw/zinc/06/34/21/173063421.db2.gz HPSMGEKHFPDJLA-UHFFFAOYSA-N 1 0 248.286 1.168 10 5 BDBERO C[N@@H+]1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000037655380 173117165 /nfs/dbraw/zinc/11/71/65/173117165.db2.gz IREDZSGKNZXDKM-NSHDSACASA-N 1 0 249.314 1.636 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120222 173154817 /nfs/dbraw/zinc/15/48/17/173154817.db2.gz WZVOYRKSCLTANV-VIFPVBQESA-N 1 0 239.250 1.850 10 5 BDBERO C[NH2+]Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000049752964 173397285 /nfs/dbraw/zinc/39/72/85/173397285.db2.gz XHXZXYTUGJEQGJ-UHFFFAOYSA-N 1 0 234.215 1.364 10 5 BDBERO COCC[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817491 174280665 /nfs/dbraw/zinc/28/06/65/174280665.db2.gz JDHFGFLBKJHHCW-UHFFFAOYSA-N 1 0 239.275 1.255 10 5 BDBERO COc1cc([N+](=O)[O-])ccc1OCCC(N)=[NH2+] ZINC000050505676 175018478 /nfs/dbraw/zinc/01/84/78/175018478.db2.gz GYFLCSLSGQYYND-UHFFFAOYSA-N 1 0 239.231 1.308 10 5 BDBERO COc1ccc(N[C@@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000036268003 175155002 /nfs/dbraw/zinc/15/50/02/175155002.db2.gz LDYIPNVMCVDWIX-VXNVDRBHSA-N 1 0 223.232 1.115 10 5 BDBERO Cc1nc(N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000124125178 324609984 /nfs/dbraw/zinc/60/99/84/324609984.db2.gz DZPRBABOVDRWRO-ZCFIWIBFSA-N 1 0 210.237 1.057 10 5 BDBERO Cc1cc2c(c([N+](=O)[O-])c1)O[C@H](C)[C@@H]2[NH3+] ZINC000757175912 582553416 /nfs/dbraw/zinc/55/34/16/582553416.db2.gz PQDFUHHBPICGBL-MUWHJKNJSA-N 1 0 208.217 1.684 10 5 BDBERO C[C@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000127329353 590621704 /nfs/dbraw/zinc/62/17/04/590621704.db2.gz YFDOEUOCTLAASS-UWVGGRQHSA-N 1 0 235.287 1.768 10 5 BDBERO C[NH2+][C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000129134485 591259368 /nfs/dbraw/zinc/25/93/68/591259368.db2.gz OCWYJTNMTAVDBQ-JTQLQIEISA-N 1 0 235.287 1.701 10 5 BDBERO Cc1ccc(N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000235340749 632674130 /nfs/dbraw/zinc/67/41/30/632674130.db2.gz YQLQHQTXOVVXEB-ZJUUUORDSA-N 1 0 235.287 1.687 10 5 BDBERO C[C@@H]([NH3+])CN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000309224469 632824894 /nfs/dbraw/zinc/82/48/94/632824894.db2.gz ZVWQWYQDYAOWLV-ZCFIWIBFSA-N 1 0 244.682 1.427 10 5 BDBERO Cc1cc(N(C)C[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000309460842 633091882 /nfs/dbraw/zinc/09/18/82/633091882.db2.gz ULHQOGNUAHDZQW-QMMMGPOBSA-N 1 0 224.264 1.082 10 5 BDBERO CN(CC[NH3+])c1ccc2ncccc2c1[N+](=O)[O-] ZINC000054419610 636635769 /nfs/dbraw/zinc/63/57/69/636635769.db2.gz VXUPIEXAORNAEM-UHFFFAOYSA-N 1 0 246.270 1.538 10 5 BDBERO [NH3+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000044531753 640402104 /nfs/dbraw/zinc/40/21/04/640402104.db2.gz PRBDCJIIMPPKEA-SNVBAGLBSA-N 1 0 235.287 1.770 10 5 BDBERO [NH3+][C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000039042490 640801845 /nfs/dbraw/zinc/80/18/45/640801845.db2.gz KBBDMTNVMBJAIY-QMMMGPOBSA-N 1 0 241.678 1.786 10 5 BDBERO C[NH2+]CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000048106344 643590307 /nfs/dbraw/zinc/59/03/07/643590307.db2.gz STCAZFZBGNWTPN-UHFFFAOYSA-N 1 0 240.219 1.134 10 5 BDBERO O=[N+]([O-])c1ccc(Cl)cc1NC1C[NH2+]C1 ZINC000084417252 644425469 /nfs/dbraw/zinc/42/54/69/644425469.db2.gz LSHZLBFXWNQYCR-UHFFFAOYSA-N 1 0 227.651 1.632 10 5 BDBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000723789086 711537320 /nfs/dbraw/zinc/53/73/20/711537320.db2.gz MPOAIHKRKJWQSQ-ZJUUUORDSA-N 1 0 235.287 1.862 10 5 BDBERO CN(CC(C)(C)[NH3+])c1cccc(F)c1[N+](=O)[O-] ZINC000709381045 712220470 /nfs/dbraw/zinc/22/04/70/712220470.db2.gz ZLOXLYXEZWGANN-UHFFFAOYSA-N 1 0 241.266 1.907 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CCC[NH2+]CC1 ZINC000036949996 712515686 /nfs/dbraw/zinc/51/56/86/712515686.db2.gz DIUDJPWQYDYXLF-UHFFFAOYSA-N 1 0 235.287 1.703 10 5 BDBERO Cc1ccc(C)c(C[N+]23CCN(CC2)CC3)c1 ZINC000057938673 717130900 /nfs/dbraw/zinc/13/09/00/717130900.db2.gz MCUAYXVYMZYGDX-UHFFFAOYSA-N 1 0 231.363 1.949 10 5 BDBERO [NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2CCC[C@@H]1O ZINC000039941533 361783483 /nfs/dbraw/zinc/78/34/83/361783483.db2.gz ZADSOQHAQJFGCV-WDEREUQCSA-N 1 0 222.244 1.292 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH3+])C1 ZINC000050244119 178270998 /nfs/dbraw/zinc/27/09/98/178270998.db2.gz YBMLADWJYQAURI-SECBINFHSA-N 1 0 221.260 1.441 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]1[NH3+] ZINC000063176453 178275000 /nfs/dbraw/zinc/27/50/00/178275000.db2.gz PNOMOQQKAMCXIP-NXEZZACHSA-N 1 0 236.275 1.590 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]1[NH3+] ZINC000063176451 178275143 /nfs/dbraw/zinc/27/51/43/178275143.db2.gz PNOMOQQKAMCXIP-UWVGGRQHSA-N 1 0 236.275 1.590 10 5 BDBERO COC(=O)C[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000091691536 398299595 /nfs/dbraw/zinc/29/95/95/398299595.db2.gz ZLNAJCKFCTVATL-NSHDSACASA-N 1 0 238.243 1.332 10 5 BDBERO C[C@]([NH3+])(CCO)c1cc([N+](=O)[O-])ccc1F ZINC000117686171 343012478 /nfs/dbraw/zinc/01/24/78/343012478.db2.gz CUVYXLSOVJIMEN-JTQLQIEISA-N 1 0 228.223 1.290 10 5 BDBERO [NH3+]Cc1cc(OC(F)(F)F)ncc1[N+](=O)[O-] ZINC000309315781 343221215 /nfs/dbraw/zinc/22/12/15/343221215.db2.gz NSCITXURERZYEO-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C2)n1 ZINC000088036521 136284106 /nfs/dbraw/zinc/28/41/06/136284106.db2.gz SCPRQBFIUVTSOK-MRVPVSSYSA-N 1 0 222.248 1.072 10 5 BDBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)n1 ZINC000309553319 343745249 /nfs/dbraw/zinc/74/52/49/343745249.db2.gz LEWVTWGLDNQGGS-UHFFFAOYSA-N 1 0 237.137 1.347 10 5 BDBERO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[NH2+]1 ZINC000600955688 344401954 /nfs/dbraw/zinc/40/19/54/344401954.db2.gz QNUSYNJLVMBPFB-RKDXNWHRSA-N 1 0 236.275 1.542 10 5 BDBERO CCc1nn(C)c(N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332516 344496326 /nfs/dbraw/zinc/49/63/26/344496326.db2.gz BVUPVSOAQFEQDP-BQBZGAKWSA-N 1 0 241.295 1.038 10 5 BDBERO C[C@H]([NH3+])[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000381561292 344521001 /nfs/dbraw/zinc/52/10/01/344521001.db2.gz HYPKSXHIKBOSAD-WDSKDSINSA-N 1 0 244.682 1.791 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000381620255 344526760 /nfs/dbraw/zinc/52/67/60/344526760.db2.gz RNFJBUHDPKBXDR-SFYZADRCSA-N 1 0 224.264 1.446 10 5 BDBERO O=[N+]([O-])c1ccccc1COC1C[NH2+]C1 ZINC000062809891 347082157 /nfs/dbraw/zinc/08/21/57/347082157.db2.gz DMRBWIQDOZDQKR-UHFFFAOYSA-N 1 0 208.217 1.083 10 5 BDBERO [NH3+][C@@H](CCO)c1csc([N+](=O)[O-])c1 ZINC000044234508 344987712 /nfs/dbraw/zinc/98/77/12/344987712.db2.gz HFGRKLNBJYPXEL-LURJTMIESA-N 1 0 202.235 1.039 10 5 BDBERO COc1ccc(C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000071424347 537890710 /nfs/dbraw/zinc/89/07/10/537890710.db2.gz GSCQRWZQMOKGMF-SSDOTTSWSA-N 1 0 210.233 1.493 10 5 BDBERO CN(CC(C)(C)[NH3+])c1ncc([N+](=O)[O-])s1 ZINC000594693312 348100444 /nfs/dbraw/zinc/10/04/44/348100444.db2.gz MPNGYFUXPZWUOZ-UHFFFAOYSA-N 1 0 230.293 1.225 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N(C)CC(C)(C)[NH3+] ZINC000594693850 348101184 /nfs/dbraw/zinc/10/11/84/348101184.db2.gz WMVKJUDDWMLDTB-UHFFFAOYSA-N 1 0 238.291 1.472 10 5 BDBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000596031172 348426613 /nfs/dbraw/zinc/42/66/13/348426613.db2.gz AVIDGGCURUZSHA-QMMMGPOBSA-N 1 0 239.275 1.623 10 5 BDBERO Cc1nc(N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000310441037 180024486 /nfs/dbraw/zinc/02/44/86/180024486.db2.gz PQLGZMHPQVSPDC-MRVPVSSYSA-N 1 0 238.291 1.838 10 5 BDBERO Cc1nn(C)c(N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000310259270 180358540 /nfs/dbraw/zinc/35/85/40/180358540.db2.gz HHSBTCPQAFMSDJ-ZETCQYMHSA-N 1 0 241.295 1.176 10 5 BDBERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382407249 350599528 /nfs/dbraw/zinc/59/95/28/350599528.db2.gz BQRUDXWSWLJUOF-BDAKNGLRSA-N 1 0 236.275 1.529 10 5 BDBERO C[C@H]([NH3+])CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772179 363021014 /nfs/dbraw/zinc/02/10/14/363021014.db2.gz JVCCAVXAMBNQKM-LURJTMIESA-N 1 0 235.247 1.230 10 5 BDBERO [NH3+]Cc1c(F)c(Br)ccc1[N+](=O)[O-] ZINC000307343464 352090158 /nfs/dbraw/zinc/09/01/58/352090158.db2.gz XPSIXSPEHSYCEL-UHFFFAOYSA-N 1 0 249.039 1.955 10 5 BDBERO CC(C)C[C@@H]1SC[C@H]([NH3+])[C@H]1[N+](=O)[O-] ZINC000307558274 352648076 /nfs/dbraw/zinc/64/80/76/352648076.db2.gz DCVSSXKJIRFPPW-BIIVOSGPSA-N 1 0 204.295 1.121 10 5 BDBERO Cc1ccc(NC(=O)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000037608272 187769965 /nfs/dbraw/zinc/76/99/65/187769965.db2.gz WXFRZKJHHSHOQC-MRVPVSSYSA-N 1 0 237.259 1.579 10 5 BDBERO CCCC[C@@H](C[NH3+])Nc1c([N+](=O)[O-])ncn1C ZINC000130556150 358631685 /nfs/dbraw/zinc/63/16/85/358631685.db2.gz VKXSJNXEJCKXAF-QMMMGPOBSA-N 1 0 241.295 1.258 10 5 BDBERO [NH3+][C@@H](CF)c1ccc(F)cc1[N+](=O)[O-] ZINC000238574232 361157244 /nfs/dbraw/zinc/15/72/44/361157244.db2.gz SVWCKANNPSDHOP-ZETCQYMHSA-N 1 0 202.160 1.703 10 5 BDBERO [NH3+][C@@H](CF)c1ccc(F)c([N+](=O)[O-])c1 ZINC000238574117 361157581 /nfs/dbraw/zinc/15/75/81/361157581.db2.gz GSFFGYRHVPZVOA-ZETCQYMHSA-N 1 0 202.160 1.703 10 5 BDBERO [NH3+]CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000082766243 181384009 /nfs/dbraw/zinc/38/40/09/181384009.db2.gz ZGFDDDVVAVYUHS-UHFFFAOYSA-N 1 0 246.270 1.904 10 5 BDBERO Cc1ccc([N+](=O)[O-])cc1NC1=[NH+]CCN1 ZINC000143959776 541508552 /nfs/dbraw/zinc/50/85/52/541508552.db2.gz VULSQFDGYCMJKR-UHFFFAOYSA-N 1 0 220.232 1.274 10 5 BDBERO CC[NH2+][C@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000387524110 368946686 /nfs/dbraw/zinc/94/66/86/368946686.db2.gz INJVCNHGIJQQRZ-SECBINFHSA-N 1 0 238.291 1.130 10 5 BDBERO COc1cc(NC[C@H](C)[NH3+])c([N+](=O)[O-])cc1F ZINC000111302616 370125750 /nfs/dbraw/zinc/12/57/50/370125750.db2.gz CBNRLRBIAKJZSW-LURJTMIESA-N 1 0 243.238 1.502 10 5 BDBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000389702915 371158791 /nfs/dbraw/zinc/15/87/91/371158791.db2.gz KFXLICGGOPOAFA-BDAKNGLRSA-N 1 0 236.275 1.400 10 5 BDBERO C[C@@H]([NH3+])CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162159730 371621938 /nfs/dbraw/zinc/62/19/38/371621938.db2.gz RKIGITCIBVOMJV-MRVPVSSYSA-N 1 0 246.270 1.902 10 5 BDBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000600951014 371714520 /nfs/dbraw/zinc/71/45/20/371714520.db2.gz DNBRUWWPWSWMPA-VHSXEESVSA-N 1 0 236.275 1.542 10 5 BDBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000600961255 371714879 /nfs/dbraw/zinc/71/48/79/371714879.db2.gz OTLIPHXHVFRJMD-BDAKNGLRSA-N 1 0 236.275 1.021 10 5 BDBERO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600960889 371715967 /nfs/dbraw/zinc/71/59/67/371715967.db2.gz JQXIRQZDKXDTPW-RKDXNWHRSA-N 1 0 236.275 1.021 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000600961256 371718450 /nfs/dbraw/zinc/71/84/50/371718450.db2.gz OTLIPHXHVFRJMD-DTWKUNHWSA-N 1 0 236.275 1.021 10 5 BDBERO [NH3+][C@@H]1CCCc2cc([N+](=O)[O-])ccc2[C@@H]1O ZINC000008699484 372855544 /nfs/dbraw/zinc/85/55/44/372855544.db2.gz QQQFYJCEGAMVAE-MNOVXSKESA-N 1 0 222.244 1.292 10 5 BDBERO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCC[NH2+]1 ZINC000053255448 182933797 /nfs/dbraw/zinc/93/37/97/182933797.db2.gz SGRJFTFFFGCQQT-VIFPVBQESA-N 1 0 239.250 1.898 10 5 BDBERO O=[N+]([O-])c1ccc(F)cc1N[C@H]1CC[NH2+]C1 ZINC000052121280 182933894 /nfs/dbraw/zinc/93/38/94/182933894.db2.gz FWNNIPXLFQIIKW-QMMMGPOBSA-N 1 0 225.223 1.508 10 5 BDBERO OCC[n+]1c2ccccc2nc2ccccc21 ZINC000005669809 183099668 /nfs/dbraw/zinc/09/96/68/183099668.db2.gz IOIJDWASQSMABL-UHFFFAOYSA-N 1 0 225.271 1.668 10 5 BDBERO CC[C@H]([NH3+])CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000336724719 384255397 /nfs/dbraw/zinc/25/53/97/384255397.db2.gz UUIRAHAVEDXSQU-QMMMGPOBSA-N 1 0 241.295 1.269 10 5 BDBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000320425904 384702670 /nfs/dbraw/zinc/70/26/70/384702670.db2.gz YNARFSVBJMYVAH-IUCAKERBSA-N 1 0 238.291 1.836 10 5 BDBERO O=[N+]([O-])c1cccc(C[C@@H]2CC[NH2+]C2)c1 ZINC000215635457 385819337 /nfs/dbraw/zinc/81/93/37/385819337.db2.gz UGPOBBGMXDHOGL-JTQLQIEISA-N 1 0 206.245 1.747 10 5 BDBERO [NH3+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053301881 386689682 /nfs/dbraw/zinc/68/96/82/386689682.db2.gz CJQZOISWBWFQGS-UHFFFAOYSA-N 1 0 200.625 1.749 10 5 BDBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[NH2+]C2)n1 ZINC000162872417 387539498 /nfs/dbraw/zinc/53/94/98/387539498.db2.gz FYINXOMQVTXSJI-VIFPVBQESA-N 1 0 236.275 1.320 10 5 BDBERO [NH3+][C@@H]1COc2cc([N+](=O)[O-])ccc2SC1 ZINC000238854936 388259125 /nfs/dbraw/zinc/25/91/25/388259125.db2.gz PQDUCDQVMXTXFX-ZCFIWIBFSA-N 1 0 226.257 1.407 10 5 BDBERO Cc1cnc(N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000227750351 388369457 /nfs/dbraw/zinc/36/94/57/388369457.db2.gz IRVDPJIFBSNSRZ-UHFFFAOYSA-N 1 0 224.264 1.083 10 5 BDBERO Cc1ccc([N+](=O)[O-])cc1N1CC[NH2+]CC1 ZINC000003716174 132315724 /nfs/dbraw/zinc/31/57/24/132315724.db2.gz YJGZOTZTNIBGFV-UHFFFAOYSA-N 1 0 221.260 1.313 10 5 BDBERO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H](C)[NH3+] ZINC000307447642 533565923 /nfs/dbraw/zinc/56/59/23/533565923.db2.gz YCDVEIJKGWXKAH-CRCLSJGQSA-N 1 0 216.266 1.199 10 5 BDBERO Cc1ccc(N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000041030209 132223878 /nfs/dbraw/zinc/22/38/78/132223878.db2.gz VGYOVKZVPMVFQV-JTQLQIEISA-N 1 0 235.287 1.831 10 5 BDBERO CC(C)[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000226780870 134369052 /nfs/dbraw/zinc/36/90/52/134369052.db2.gz GKDIWKQEAAWRBE-LURJTMIESA-N 1 0 230.293 1.447 10 5 BDBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000070010678 134906554 /nfs/dbraw/zinc/90/65/54/134906554.db2.gz BIVPYOUXTOAOHZ-VIFPVBQESA-N 1 0 224.264 1.385 10 5 BDBERO CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000020525205 170116312 /nfs/dbraw/zinc/11/63/12/170116312.db2.gz IEYBACXIUZOUCN-UHFFFAOYSA-N 1 0 210.233 1.583 10 5 BDBERO CC[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC000050615673 170131494 /nfs/dbraw/zinc/13/14/94/170131494.db2.gz NBVXZWYVHYDUJC-UHFFFAOYSA-N 1 0 238.203 1.347 10 5 BDBERO C[N@@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000042548256 173125897 /nfs/dbraw/zinc/12/58/97/173125897.db2.gz DLSZPVZPISEGPP-MRVPVSSYSA-N 1 0 222.248 1.106 10 5 BDBERO C[N@@H+]1CC[C@H](Nc2ccc(O)cc2[N+](=O)[O-])C1 ZINC000061988835 173153835 /nfs/dbraw/zinc/15/38/35/173153835.db2.gz RQLZWVJULCVHPN-QMMMGPOBSA-N 1 0 237.259 1.416 10 5 BDBERO C[NH2+]CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000051866891 173357468 /nfs/dbraw/zinc/35/74/68/173357468.db2.gz IBGYKBIEFOTTLF-UHFFFAOYSA-N 1 0 241.203 1.101 10 5 BDBERO C[NH2+]C[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000054588580 173382550 /nfs/dbraw/zinc/38/25/50/173382550.db2.gz MIBWJCNUWGYTAE-MWLCHTKSSA-N 1 0 206.245 1.918 10 5 BDBERO C[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000033610908 173385278 /nfs/dbraw/zinc/38/52/78/173385278.db2.gz KLVFNRYOUGSYDE-UHFFFAOYSA-N 1 0 200.625 1.968 10 5 BDBERO C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829134 173387487 /nfs/dbraw/zinc/38/74/87/173387487.db2.gz GLQPMEFDVJDHIN-UHFFFAOYSA-N 1 0 200.625 1.968 10 5 BDBERO C[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000047864579 173397725 /nfs/dbraw/zinc/39/77/25/173397725.db2.gz JNIVVNSJKLYSBX-UHFFFAOYSA-N 1 0 234.215 1.364 10 5 BDBERO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235684664 177277368 /nfs/dbraw/zinc/27/73/68/177277368.db2.gz HQUDUSVDMZQRSA-CBAPKCEASA-N 1 0 239.250 1.517 10 5 BDBERO Cc1nc(N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320402087 323176875 /nfs/dbraw/zinc/17/68/75/323176875.db2.gz VJUYZCRRBQGLER-SFYZADRCSA-N 1 0 238.291 1.836 10 5 BDBERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000106164574 588258232 /nfs/dbraw/zinc/25/82/32/588258232.db2.gz SVGIXISOOLADSV-UHFFFAOYSA-N 1 0 209.249 1.380 10 5 BDBERO C[C@@H]([NH3+])CN(C)c1ccccc1[N+](=O)[O-] ZINC000309035115 631808220 /nfs/dbraw/zinc/80/82/20/631808220.db2.gz FLQPSOXLHJSEHW-MRVPVSSYSA-N 1 0 209.249 1.378 10 5 BDBERO C[C@@H](C[NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054158799 635776196 /nfs/dbraw/zinc/77/61/96/635776196.db2.gz KBRWRVBTZFUSTC-ZETCQYMHSA-N 1 0 248.242 1.707 10 5 BDBERO CCN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000110513492 634282751 /nfs/dbraw/zinc/28/27/51/634282751.db2.gz ACOKEEMGNKCQRB-GFCCVEGCSA-N 1 0 235.287 1.783 10 5 BDBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000310092253 634354673 /nfs/dbraw/zinc/35/46/73/634354673.db2.gz RZMITRCNUCGXDL-ONGXEEELSA-N 1 0 235.287 1.829 10 5 BDBERO [NH3+][C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000228888935 640902815 /nfs/dbraw/zinc/90/28/15/640902815.db2.gz WRSKVMMEDFEHTE-LURJTMIESA-N 1 0 243.213 1.410 10 5 BDBERO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000050249609 643664004 /nfs/dbraw/zinc/66/40/04/643664004.db2.gz RJFVSMYZXHWIHI-QMMMGPOBSA-N 1 0 239.250 1.519 10 5 BDBERO CC1(C)CN(c2ncc([N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000720749509 712863840 /nfs/dbraw/zinc/86/38/40/712863840.db2.gz VNHXXJCICHSMTL-ZCFIWIBFSA-N 1 0 242.304 1.225 10 5 BDBERO Cc1cc(N[C@@H]2C[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC000721858688 711791780 /nfs/dbraw/zinc/79/17/80/711791780.db2.gz FBLBGZPDJWBLLW-RKDXNWHRSA-N 1 0 236.275 1.318 10 5 BDBERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000721865438 711792207 /nfs/dbraw/zinc/79/22/07/711792207.db2.gz KJPPZMJCHRRUOJ-VIFPVBQESA-N 1 0 236.275 1.400 10 5 BDBERO C[C@@H]1C[C@H]([NH3+])CN1c1cccc(F)c1[N+](=O)[O-] ZINC000702637371 712058037 /nfs/dbraw/zinc/05/80/37/712058037.db2.gz KLGQUTCRCBKNIG-SFYZADRCSA-N 1 0 239.250 1.660 10 5 BDBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1F ZINC000702639882 712058126 /nfs/dbraw/zinc/05/81/26/712058126.db2.gz URONLFNADXJRBN-HTQZYQBOSA-N 1 0 239.250 1.660 10 5 BDBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000708838143 712200069 /nfs/dbraw/zinc/20/00/69/712200069.db2.gz BKQMSSYASCKQOT-UWVGGRQHSA-N 1 0 235.287 1.626 10 5 BDBERO [NH3+]C1CC(CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000715114080 712509937 /nfs/dbraw/zinc/50/99/37/712509937.db2.gz PBOIVWTZTJNRPK-UHFFFAOYSA-N 1 0 249.270 1.062 10 5 BDBERO O=[N+]([O-])c1c(F)cccc1N1CCC[NH2+]CC1 ZINC000037418902 712628993 /nfs/dbraw/zinc/62/89/93/712628993.db2.gz ABRHBISZPUJROC-UHFFFAOYSA-N 1 0 239.250 1.534 10 5 BDBERO