smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000560546067 459371334 /nfs/dbraw/zinc/37/13/34/459371334.db2.gz PRZTYWNBYMLHDQ-QYZOEREBSA-N 2 1 331.460 3.380 10 5 EGBEMP CC1(C)C[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778500 1325297638 /nfs/dbraw/zinc/29/76/38/1325297638.db2.gz SNUSZNNLLSGXSO-IAQYHMDHSA-N 2 1 339.386 3.152 10 5 EGBEMP Cc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000121769928 152371208 /nfs/dbraw/zinc/37/12/08/152371208.db2.gz NNKGIOGCZNNSSI-UHFFFAOYSA-N 2 1 328.416 3.091 10 5 EGBEMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925785262 1325300493 /nfs/dbraw/zinc/30/04/93/1325300493.db2.gz MKBRIMBWFIAZCU-LJHODMEESA-N 2 1 325.412 3.129 10 5 EGBEMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000271071232 275237795 /nfs/dbraw/zinc/23/77/95/275237795.db2.gz FFDSEOHPWITIRI-CABCVRRESA-N 2 1 337.489 3.397 10 5 EGBEMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(-n3ccnc3)cs1)CC2 ZINC000346205074 141179605 /nfs/dbraw/zinc/17/96/05/141179605.db2.gz QMFAVBBUXJGTFT-UHFFFAOYSA-N 2 1 340.408 3.400 10 5 EGBEMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925206 141218579 /nfs/dbraw/zinc/21/85/79/141218579.db2.gz GSLDTBJJIAQUNC-HOCLYGCPSA-N 2 1 347.459 3.346 10 5 EGBEMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925206 141218580 /nfs/dbraw/zinc/21/85/80/141218580.db2.gz GSLDTBJJIAQUNC-HOCLYGCPSA-N 2 1 347.459 3.346 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000552283384 315211029 /nfs/dbraw/zinc/21/10/29/315211029.db2.gz BLUBVBBRLPKOOR-JYJNAYRXSA-N 2 1 337.851 3.253 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCC[C@@H]21 ZINC000580494142 325256483 /nfs/dbraw/zinc/25/64/83/325256483.db2.gz ZCDNUKQNNGYXLE-SNRMKQJTSA-N 2 1 342.443 3.081 10 5 EGBEMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778973 1325296537 /nfs/dbraw/zinc/29/65/37/1325296537.db2.gz LCVMPCZGQQQYCS-DZGCQCFKSA-N 2 1 327.375 3.270 10 5 EGBEMP CC[NH+](CC)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444594487 309922247 /nfs/dbraw/zinc/92/22/47/309922247.db2.gz KAVYVACCZMWGGL-UHFFFAOYSA-N 2 1 345.447 3.025 10 5 EGBEMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000530407474 313532244 /nfs/dbraw/zinc/53/22/44/313532244.db2.gz LRBZAUKFIYQMDY-IBGZPJMESA-N 2 1 336.395 3.250 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000183396233 455287207 /nfs/dbraw/zinc/28/72/07/455287207.db2.gz TUAWEPYQRPVTJD-APWZRJJASA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000183396233 455287210 /nfs/dbraw/zinc/28/72/10/455287210.db2.gz TUAWEPYQRPVTJD-APWZRJJASA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000183396233 455287212 /nfs/dbraw/zinc/28/72/12/455287212.db2.gz TUAWEPYQRPVTJD-APWZRJJASA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000183396233 455287215 /nfs/dbraw/zinc/28/72/15/455287215.db2.gz TUAWEPYQRPVTJD-APWZRJJASA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000171649290 455082445 /nfs/dbraw/zinc/08/24/45/455082445.db2.gz QIVSUJOMISUCEM-QGZVFWFLSA-N 2 1 340.427 3.275 10 5 EGBEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000171649290 455082447 /nfs/dbraw/zinc/08/24/47/455082447.db2.gz QIVSUJOMISUCEM-QGZVFWFLSA-N 2 1 340.427 3.275 10 5 EGBEMP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216029 309390906 /nfs/dbraw/zinc/39/09/06/309390906.db2.gz RHDYDNAYQLORGJ-BEFAXECRSA-N 2 1 325.412 3.273 10 5 EGBEMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000597247742 459894545 /nfs/dbraw/zinc/89/45/45/459894545.db2.gz BUFHDLVYTMFJHZ-APEZIOSESA-N 2 1 347.459 3.041 10 5 EGBEMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000597247742 459894549 /nfs/dbraw/zinc/89/45/49/459894549.db2.gz BUFHDLVYTMFJHZ-APEZIOSESA-N 2 1 347.459 3.041 10 5 EGBEMP Cc1c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001175767790 1385399099 /nfs/dbraw/zinc/39/90/99/1385399099.db2.gz KEVQDWIJBDVWRA-AWEZNQCLSA-N 2 1 326.400 3.009 10 5 EGBEMP Cc1c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001175767790 1385399105 /nfs/dbraw/zinc/39/91/05/1385399105.db2.gz KEVQDWIJBDVWRA-AWEZNQCLSA-N 2 1 326.400 3.009 10 5 EGBEMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429257838 458300338 /nfs/dbraw/zinc/30/03/38/458300338.db2.gz FWEQRCYVFUHKAX-UHFFFAOYSA-N 2 1 346.431 3.275 10 5 EGBEMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429257838 458300340 /nfs/dbraw/zinc/30/03/40/458300340.db2.gz FWEQRCYVFUHKAX-UHFFFAOYSA-N 2 1 346.431 3.275 10 5 EGBEMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367494 165036471 /nfs/dbraw/zinc/03/64/71/165036471.db2.gz OMJNZGGIZYIFSW-QAPCUYQASA-N 2 1 335.448 3.089 10 5 EGBEMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000554527681 315328643 /nfs/dbraw/zinc/32/86/43/315328643.db2.gz XRPRRJNJRXPYNX-UHFFFAOYSA-N 2 1 335.448 3.156 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000183396211 455286882 /nfs/dbraw/zinc/28/68/82/455286882.db2.gz TUAWEPYQRPVTJD-VQIMIIECSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000183396211 455286886 /nfs/dbraw/zinc/28/68/86/455286886.db2.gz TUAWEPYQRPVTJD-VQIMIIECSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000183396211 455286892 /nfs/dbraw/zinc/28/68/92/455286892.db2.gz TUAWEPYQRPVTJD-VQIMIIECSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000183396211 455286896 /nfs/dbraw/zinc/28/68/96/455286896.db2.gz TUAWEPYQRPVTJD-VQIMIIECSA-N 2 1 329.444 3.352 10 5 EGBEMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900900 459481166 /nfs/dbraw/zinc/48/11/66/459481166.db2.gz OSUJLSLAPQRVCM-AWEZNQCLSA-N 2 1 337.851 3.460 10 5 EGBEMP O=[N+]([O-])c1ccc(C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000923371616 1322741891 /nfs/dbraw/zinc/74/18/91/1322741891.db2.gz CLVIDWQEWHWZSV-ALOPSCKCSA-N 2 1 329.444 3.480 10 5 EGBEMP C[N@H+](CCCCCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923426750 1322749932 /nfs/dbraw/zinc/74/99/32/1322749932.db2.gz PYXZARZKKOQKBF-UHFFFAOYSA-N 2 1 344.253 3.308 10 5 EGBEMP C[N@@H+](CCCCCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923426750 1322749938 /nfs/dbraw/zinc/74/99/38/1322749938.db2.gz PYXZARZKKOQKBF-UHFFFAOYSA-N 2 1 344.253 3.308 10 5 EGBEMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000594735621 459145191 /nfs/dbraw/zinc/14/51/91/459145191.db2.gz LLJDPJDVQNEFQF-AWEZNQCLSA-N 2 1 337.851 3.460 10 5 EGBEMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000592432596 459599733 /nfs/dbraw/zinc/59/97/33/459599733.db2.gz CHICTHGNLYGITO-LJQANCHMSA-N 2 1 341.411 3.430 10 5 EGBEMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000592432596 459599739 /nfs/dbraw/zinc/59/97/39/459599739.db2.gz CHICTHGNLYGITO-LJQANCHMSA-N 2 1 341.411 3.430 10 5 EGBEMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000271071235 275237762 /nfs/dbraw/zinc/23/77/62/275237762.db2.gz FFDSEOHPWITIRI-GJZGRUSLSA-N 2 1 337.489 3.397 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248647586 308008548 /nfs/dbraw/zinc/00/85/48/308008548.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248647586 308008549 /nfs/dbraw/zinc/00/85/49/308008549.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248647586 308008550 /nfs/dbraw/zinc/00/85/50/308008550.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248647586 308008551 /nfs/dbraw/zinc/00/85/51/308008551.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 2 1 329.444 3.352 10 5 EGBEMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900901 459481781 /nfs/dbraw/zinc/48/17/81/459481781.db2.gz OSUJLSLAPQRVCM-CQSZACIVSA-N 2 1 337.851 3.460 10 5 EGBEMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000597247750 459894347 /nfs/dbraw/zinc/89/43/47/459894347.db2.gz BUFHDLVYTMFJHZ-UIRWJGRMSA-N 2 1 347.459 3.041 10 5 EGBEMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000597247750 459894352 /nfs/dbraw/zinc/89/43/52/459894352.db2.gz BUFHDLVYTMFJHZ-UIRWJGRMSA-N 2 1 347.459 3.041 10 5 EGBEMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000871786068 1296531675 /nfs/dbraw/zinc/53/16/75/1296531675.db2.gz YDMSSABWXGXCBL-PRTUASRFSA-N 2 1 332.404 3.027 10 5 EGBEMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000871786068 1296531681 /nfs/dbraw/zinc/53/16/81/1296531681.db2.gz YDMSSABWXGXCBL-PRTUASRFSA-N 2 1 332.404 3.027 10 5 EGBEMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]1(C)C[NH3+] ZINC000415059730 309117458 /nfs/dbraw/zinc/11/74/58/309117458.db2.gz YTDDLLWYDAJLME-FZKQIMNGSA-N 2 1 329.400 3.272 10 5 EGBEMP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778502 1325297978 /nfs/dbraw/zinc/29/79/78/1325297978.db2.gz SNUSZNNLLSGXSO-XHDPSFHLSA-N 2 1 339.386 3.152 10 5 EGBEMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376470 459584768 /nfs/dbraw/zinc/58/47/68/459584768.db2.gz RHZRTSRUATZQIF-MOPGFXCFSA-N 2 1 339.439 3.338 10 5 EGBEMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376470 459584775 /nfs/dbraw/zinc/58/47/75/459584775.db2.gz RHZRTSRUATZQIF-MOPGFXCFSA-N 2 1 339.439 3.338 10 5 EGBEMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000601104855 460711530 /nfs/dbraw/zinc/71/15/30/460711530.db2.gz JFVKSPKGMSQLDG-UHFFFAOYSA-N 2 1 340.427 3.455 10 5 EGBEMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594735685 459145892 /nfs/dbraw/zinc/14/58/92/459145892.db2.gz NAOFJCWBEJGIFU-CJISVDGZSA-N 2 1 329.444 3.320 10 5 EGBEMP O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939824 1384415294 /nfs/dbraw/zinc/41/52/94/1384415294.db2.gz XRJHGTGJQGNKSU-HXUWFJFHSA-N 2 1 345.487 3.420 10 5 EGBEMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722672 265132372 /nfs/dbraw/zinc/13/23/72/265132372.db2.gz SMPYPVLCMPJDRU-DOMZBBRYSA-N 2 1 325.840 3.410 10 5 EGBEMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 ZINC000423529010 309405141 /nfs/dbraw/zinc/40/51/41/309405141.db2.gz PMLOWFOCIKXYOY-SYSJQSPFSA-N 2 1 329.444 3.399 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCC[C@H]21 ZINC000580494143 325256446 /nfs/dbraw/zinc/25/64/46/325256446.db2.gz ZCDNUKQNNGYXLE-ZYSHUDEJSA-N 2 1 342.443 3.081 10 5 EGBEMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc([N+](=O)[O-])c1 ZINC000423533831 458454098 /nfs/dbraw/zinc/45/40/98/458454098.db2.gz YWOHVVJXNVKHPM-SYSJQSPFSA-N 2 1 329.444 3.399 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000552283383 315210770 /nfs/dbraw/zinc/21/07/70/315210770.db2.gz BLUBVBBRLPKOOR-HRCADAONSA-N 2 1 337.851 3.253 10 5 EGBEMP O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)c1 ZINC000595894180 459477865 /nfs/dbraw/zinc/47/78/65/459477865.db2.gz VFBHEQUOAVMPGC-UHFFFAOYSA-N 2 1 337.423 3.405 10 5 EGBEMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000601972700 460966617 /nfs/dbraw/zinc/96/66/17/460966617.db2.gz NJERANAQKXSBJL-GFCCVEGCSA-N 2 1 343.374 3.064 10 5 EGBEMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 ZINC000423528994 458452185 /nfs/dbraw/zinc/45/21/85/458452185.db2.gz PMLOWFOCIKXYOY-RWBCNSPNSA-N 2 1 329.444 3.399 10 5 EGBEMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000271071238 275237908 /nfs/dbraw/zinc/23/79/08/275237908.db2.gz FFDSEOHPWITIRI-HUUCEWRRSA-N 2 1 337.489 3.397 10 5 EGBEMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592376518 459584997 /nfs/dbraw/zinc/58/49/97/459584997.db2.gz XTMGEPYIDPIEHB-MSOLQXFVSA-N 2 1 325.412 3.030 10 5 EGBEMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592376518 459585002 /nfs/dbraw/zinc/58/50/02/459585002.db2.gz XTMGEPYIDPIEHB-MSOLQXFVSA-N 2 1 325.412 3.030 10 5 EGBEMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000601972703 460967165 /nfs/dbraw/zinc/96/71/65/460967165.db2.gz NJERANAQKXSBJL-LBPRGKRZSA-N 2 1 343.374 3.064 10 5 EGBEMP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000598973345 460111945 /nfs/dbraw/zinc/11/19/45/460111945.db2.gz FRIGQBAWCJWVPZ-CQSZACIVSA-N 2 1 330.432 3.081 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248647582 308008325 /nfs/dbraw/zinc/00/83/25/308008325.db2.gz TUAWEPYQRPVTJD-LPHOPBHVSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248647582 308008327 /nfs/dbraw/zinc/00/83/27/308008327.db2.gz TUAWEPYQRPVTJD-LPHOPBHVSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248647582 308008328 /nfs/dbraw/zinc/00/83/28/308008328.db2.gz TUAWEPYQRPVTJD-LPHOPBHVSA-N 2 1 329.444 3.352 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248647582 308008330 /nfs/dbraw/zinc/00/83/30/308008330.db2.gz TUAWEPYQRPVTJD-LPHOPBHVSA-N 2 1 329.444 3.352 10 5 EGBEMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000598971822 460109495 /nfs/dbraw/zinc/10/94/95/460109495.db2.gz GGTUJUWEFGYIOA-CQSZACIVSA-N 2 1 325.840 3.253 10 5 EGBEMP C[NH+]1CCC2(CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000866055497 1330060493 /nfs/dbraw/zinc/06/04/93/1330060493.db2.gz XSAPXSUZVYYUOB-UHFFFAOYSA-N 2 1 340.427 3.455 10 5 EGBEMP Cc1ccc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000423182806 309389600 /nfs/dbraw/zinc/38/96/00/309389600.db2.gz FNMDIRIGNAQKQO-OAHLLOKOSA-N 2 1 328.416 3.129 10 5 EGBEMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000423182806 309389601 /nfs/dbraw/zinc/38/96/01/309389601.db2.gz FNMDIRIGNAQKQO-OAHLLOKOSA-N 2 1 328.416 3.129 10 5 EGBEMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600707450 460574457 /nfs/dbraw/zinc/57/44/57/460574457.db2.gz HPZVFFYXCHDDAH-CJNGLKHVSA-N 2 1 335.473 3.340 10 5 EGBEMP CCC1([NH+](C)C)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601229490 460758412 /nfs/dbraw/zinc/75/84/12/460758412.db2.gz RHIMETHTUHLJNI-UHFFFAOYSA-N 2 1 328.416 3.454 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178308746 528611816 /nfs/dbraw/zinc/61/18/16/528611816.db2.gz AXDRSOLNKLNJKN-QGZVFWFLSA-N 2 1 344.415 3.163 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178308746 528611818 /nfs/dbraw/zinc/61/18/18/528611818.db2.gz AXDRSOLNKLNJKN-QGZVFWFLSA-N 2 1 344.415 3.163 10 5 EGBEMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)C[NH3+] ZINC000415059498 309117440 /nfs/dbraw/zinc/11/74/40/309117440.db2.gz YFWNKVZDMDXYAY-FZKQIMNGSA-N 2 1 329.400 3.272 10 5 EGBEMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423192506 309389919 /nfs/dbraw/zinc/38/99/19/309389919.db2.gz VOBOCINREWCIFW-GOSISDBHSA-N 2 1 328.416 3.210 10 5 EGBEMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925785261 1325300742 /nfs/dbraw/zinc/30/07/42/1325300742.db2.gz MKBRIMBWFIAZCU-DKSSEZFCSA-N 2 1 325.412 3.129 10 5 EGBEMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925197 141218239 /nfs/dbraw/zinc/21/82/39/141218239.db2.gz GSLDTBJJIAQUNC-GDBMZVCRSA-N 2 1 347.459 3.346 10 5 EGBEMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925197 141218240 /nfs/dbraw/zinc/21/82/40/141218240.db2.gz GSLDTBJJIAQUNC-GDBMZVCRSA-N 2 1 347.459 3.346 10 5 EGBEMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000271071242 275237913 /nfs/dbraw/zinc/23/79/13/275237913.db2.gz FFDSEOHPWITIRI-LSDHHAIUSA-N 2 1 337.489 3.397 10 5 EGBEMP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000566351779 459846431 /nfs/dbraw/zinc/84/64/31/459846431.db2.gz CDLYUAJTUCQLNP-UHFFFAOYSA-N 2 1 337.423 3.405 10 5 EGBEMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367495 165036873 /nfs/dbraw/zinc/03/68/73/165036873.db2.gz OMJNZGGIZYIFSW-YJBOKZPZSA-N 2 1 335.448 3.089 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592376416 459584278 /nfs/dbraw/zinc/58/42/78/459584278.db2.gz JYIJDLZKIFKADF-QUCCMNQESA-N 2 1 339.439 3.338 10 5 EGBEMP CC1(C)C[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778501 1325297770 /nfs/dbraw/zinc/29/77/70/1325297770.db2.gz SNUSZNNLLSGXSO-NHYWBVRUSA-N 2 1 339.386 3.152 10 5 EGBEMP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000092657965 454603073 /nfs/dbraw/zinc/60/30/73/454603073.db2.gz FMZBKRSBJQZMSH-UHFFFAOYSA-N 2 1 346.475 3.265 10 5 EGBEMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850080 456597476 /nfs/dbraw/zinc/59/74/76/456597476.db2.gz DNBUMOUWGHKKKC-GDBMZVCRSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850080 456597483 /nfs/dbraw/zinc/59/74/83/456597483.db2.gz DNBUMOUWGHKKKC-GDBMZVCRSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850080 456597491 /nfs/dbraw/zinc/59/74/91/456597491.db2.gz DNBUMOUWGHKKKC-GDBMZVCRSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850080 456597499 /nfs/dbraw/zinc/59/74/99/456597499.db2.gz DNBUMOUWGHKKKC-GDBMZVCRSA-N 2 1 335.448 3.156 10 5 EGBEMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000871786067 1296531741 /nfs/dbraw/zinc/53/17/41/1296531741.db2.gz YDMSSABWXGXCBL-JZIBPQBNSA-N 2 1 332.404 3.027 10 5 EGBEMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000871786067 1296531751 /nfs/dbraw/zinc/53/17/51/1296531751.db2.gz YDMSSABWXGXCBL-JZIBPQBNSA-N 2 1 332.404 3.027 10 5 EGBEMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722696 265132514 /nfs/dbraw/zinc/13/25/14/265132514.db2.gz SMPYPVLCMPJDRU-IUODEOHRSA-N 2 1 325.840 3.410 10 5 EGBEMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600707453 460574813 /nfs/dbraw/zinc/57/48/13/460574813.db2.gz HPZVFFYXCHDDAH-XJKSGUPXSA-N 2 1 335.473 3.340 10 5 EGBEMP CCOc1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000925839435 1325323489 /nfs/dbraw/zinc/32/34/89/1325323489.db2.gz BSZZSAYRANZEPY-MORSLUCNSA-N 2 1 333.432 3.176 10 5 EGBEMP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216036 309390849 /nfs/dbraw/zinc/39/08/49/309390849.db2.gz RHDYDNAYQLORGJ-KXBFYZLASA-N 2 1 325.412 3.273 10 5 EGBEMP O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000595890995 459477175 /nfs/dbraw/zinc/47/71/75/459477175.db2.gz HDERIDQUVMCTES-UHFFFAOYSA-N 2 1 337.423 3.405 10 5 EGBEMP Cc1c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001175767793 1385398990 /nfs/dbraw/zinc/39/89/90/1385398990.db2.gz KEVQDWIJBDVWRA-CQSZACIVSA-N 2 1 326.400 3.009 10 5 EGBEMP Cc1c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001175767793 1385398992 /nfs/dbraw/zinc/39/89/92/1385398992.db2.gz KEVQDWIJBDVWRA-CQSZACIVSA-N 2 1 326.400 3.009 10 5 EGBEMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422708942 309364088 /nfs/dbraw/zinc/36/40/88/309364088.db2.gz CLQSOUWOIKEOJY-BRWVUGGUSA-N 2 1 333.432 3.004 10 5 EGBEMP O=[N+]([O-])c1ccccc1C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923370605 1322742557 /nfs/dbraw/zinc/74/25/57/1322742557.db2.gz WKAWYWPVTXAOGC-ZXFUBFMLSA-N 2 1 329.444 3.480 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCC[C@@H]21 ZINC000580494141 325256151 /nfs/dbraw/zinc/25/61/51/325256151.db2.gz ZCDNUKQNNGYXLE-MNEFBYGVSA-N 2 1 342.443 3.081 10 5 EGBEMP Cc1cc(N2CCC[N@H+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181496618 455344605 /nfs/dbraw/zinc/34/46/05/455344605.db2.gz PRZZWIHCOGHZQH-UHFFFAOYSA-N 2 1 326.400 3.126 10 5 EGBEMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850084 456598401 /nfs/dbraw/zinc/59/84/01/456598401.db2.gz DNBUMOUWGHKKKC-HOCLYGCPSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850084 456598409 /nfs/dbraw/zinc/59/84/09/456598409.db2.gz DNBUMOUWGHKKKC-HOCLYGCPSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850084 456598416 /nfs/dbraw/zinc/59/84/16/456598416.db2.gz DNBUMOUWGHKKKC-HOCLYGCPSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850084 456598422 /nfs/dbraw/zinc/59/84/22/456598422.db2.gz DNBUMOUWGHKKKC-HOCLYGCPSA-N 2 1 335.448 3.156 10 5 EGBEMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594735688 459146691 /nfs/dbraw/zinc/14/66/91/459146691.db2.gz NAOFJCWBEJGIFU-VDNIUXDYSA-N 2 1 329.444 3.320 10 5 EGBEMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)cc1 ZINC000573684162 459717483 /nfs/dbraw/zinc/71/74/83/459717483.db2.gz SAJKWILSICKVBS-LJQANCHMSA-N 2 1 341.411 3.430 10 5 EGBEMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)cc1 ZINC000573684162 459717486 /nfs/dbraw/zinc/71/74/86/459717486.db2.gz SAJKWILSICKVBS-LJQANCHMSA-N 2 1 341.411 3.430 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000552283385 315210757 /nfs/dbraw/zinc/21/07/57/315210757.db2.gz BLUBVBBRLPKOOR-OWCLPIDISA-N 2 1 337.851 3.253 10 5 EGBEMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352568017 457471951 /nfs/dbraw/zinc/47/19/51/457471951.db2.gz SMLRETILNPZWPM-IBGZPJMESA-N 2 1 336.395 3.479 10 5 EGBEMP O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000595894228 459478705 /nfs/dbraw/zinc/47/87/05/459478705.db2.gz VWVURDTUHDDMQA-UHFFFAOYSA-N 2 1 337.423 3.405 10 5 EGBEMP O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000595894228 459478711 /nfs/dbraw/zinc/47/87/11/459478711.db2.gz VWVURDTUHDDMQA-UHFFFAOYSA-N 2 1 337.423 3.405 10 5 EGBEMP CC1(C)C[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778323 1325297361 /nfs/dbraw/zinc/29/73/61/1325297361.db2.gz SNUSZNNLLSGXSO-ABAIWWIYSA-N 2 1 339.386 3.152 10 5 EGBEMP COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001175600868 1385345963 /nfs/dbraw/zinc/34/59/63/1385345963.db2.gz DQINDJNSELIAPW-UHFFFAOYSA-N 2 1 349.475 3.403 10 5 EGBEMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600707448 460574893 /nfs/dbraw/zinc/57/48/93/460574893.db2.gz HPZVFFYXCHDDAH-BBRMVZONSA-N 2 1 335.473 3.340 10 5 EGBEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000600771000 460595966 /nfs/dbraw/zinc/59/59/66/460595966.db2.gz FOYJXXFCTJMRQX-KDURUIRLSA-N 2 1 341.411 3.286 10 5 EGBEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000600771000 460595970 /nfs/dbraw/zinc/59/59/70/460595970.db2.gz FOYJXXFCTJMRQX-KDURUIRLSA-N 2 1 341.411 3.286 10 5 EGBEMP Cc1c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000105876570 454662351 /nfs/dbraw/zinc/66/23/51/454662351.db2.gz FVSZPFZYVBGLLW-UHFFFAOYSA-N 2 1 328.416 3.091 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000598971821 460109709 /nfs/dbraw/zinc/10/97/09/460109709.db2.gz GGTUJUWEFGYIOA-AWEZNQCLSA-N 2 1 325.840 3.253 10 5 EGBEMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)cc1 ZINC000573684161 459717165 /nfs/dbraw/zinc/71/71/65/459717165.db2.gz SAJKWILSICKVBS-IBGZPJMESA-N 2 1 341.411 3.430 10 5 EGBEMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)cc1 ZINC000573684161 459717172 /nfs/dbraw/zinc/71/71/72/459717172.db2.gz SAJKWILSICKVBS-IBGZPJMESA-N 2 1 341.411 3.430 10 5 EGBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875998 143930948 /nfs/dbraw/zinc/93/09/48/143930948.db2.gz QYNWFLAZNACXQZ-CQSZACIVSA-N 2 1 328.416 3.344 10 5 EGBEMP Cc1c([C@H](C)NCCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000423184410 309389589 /nfs/dbraw/zinc/38/95/89/309389589.db2.gz HXGLAGCYUDWDLI-HNNXBMFYSA-N 2 1 328.416 3.129 10 5 EGBEMP Cc1c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000423184410 309389590 /nfs/dbraw/zinc/38/95/90/309389590.db2.gz HXGLAGCYUDWDLI-HNNXBMFYSA-N 2 1 328.416 3.129 10 5 EGBEMP CC[NH+](CC)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434840315 309720985 /nfs/dbraw/zinc/72/09/85/309720985.db2.gz JDUBAKCCCBRJCO-UHFFFAOYSA-N 2 1 346.431 3.290 10 5 EGBEMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001197928911 1368926394 /nfs/dbraw/zinc/92/63/94/1368926394.db2.gz AFMOUBSGHXGAGL-HNNXBMFYSA-N 2 1 326.400 3.009 10 5 EGBEMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001197928911 1368926398 /nfs/dbraw/zinc/92/63/98/1368926398.db2.gz AFMOUBSGHXGAGL-HNNXBMFYSA-N 2 1 326.400 3.009 10 5 EGBEMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC001175686472 1385374222 /nfs/dbraw/zinc/37/42/22/1385374222.db2.gz FPMWBFWJUFYOEJ-UHFFFAOYSA-N 2 1 335.448 3.172 10 5 EGBEMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422708943 309363980 /nfs/dbraw/zinc/36/39/80/309363980.db2.gz CLQSOUWOIKEOJY-GVDBMIGSSA-N 2 1 333.432 3.004 10 5 EGBEMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423192508 309389955 /nfs/dbraw/zinc/38/99/55/309389955.db2.gz VOBOCINREWCIFW-SFHVURJKSA-N 2 1 328.416 3.210 10 5 EGBEMP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216033 309390814 /nfs/dbraw/zinc/39/08/14/309390814.db2.gz RHDYDNAYQLORGJ-HNAYVOBHSA-N 2 1 325.412 3.273 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000593317458 459839808 /nfs/dbraw/zinc/83/98/08/459839808.db2.gz KPRXNFKLCZCLGM-UHFFFAOYSA-N 2 1 329.400 3.003 10 5 EGBEMP Cn1cc[nH+]c1CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121762466 152369967 /nfs/dbraw/zinc/36/99/67/152369967.db2.gz GJANTIXQCJAUMZ-GQCTYLIASA-N 2 1 340.427 3.296 10 5 EGBEMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352568018 457471689 /nfs/dbraw/zinc/47/16/89/457471689.db2.gz SMLRETILNPZWPM-LJQANCHMSA-N 2 1 336.395 3.479 10 5 EGBEMP CCOc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000925839433 1325322776 /nfs/dbraw/zinc/32/27/76/1325322776.db2.gz BSZZSAYRANZEPY-FSPWUOQZSA-N 2 1 333.432 3.176 10 5 EGBEMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422708946 309364033 /nfs/dbraw/zinc/36/40/33/309364033.db2.gz CLQSOUWOIKEOJY-YESZJQIVSA-N 2 1 333.432 3.004 10 5 EGBEMP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216031 309390879 /nfs/dbraw/zinc/39/08/79/309390879.db2.gz RHDYDNAYQLORGJ-DNVCBOLYSA-N 2 1 325.412 3.273 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594734538 459144996 /nfs/dbraw/zinc/14/49/96/459144996.db2.gz AQRHSFMEOVYSHP-INIZCTEOSA-N 2 1 347.459 3.205 10 5 EGBEMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592376348 459584610 /nfs/dbraw/zinc/58/46/10/459584610.db2.gz AVUHRDFACSTZOL-MJGOQNOKSA-N 2 1 325.412 3.030 10 5 EGBEMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592376348 459584614 /nfs/dbraw/zinc/58/46/14/459584614.db2.gz AVUHRDFACSTZOL-MJGOQNOKSA-N 2 1 325.412 3.030 10 5 EGBEMP Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302185625 456310662 /nfs/dbraw/zinc/31/06/62/456310662.db2.gz PGPXOCNGERNKGJ-OAHLLOKOSA-N 2 1 326.400 3.126 10 5 EGBEMP Cc1ccc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000423182805 309389491 /nfs/dbraw/zinc/38/94/91/309389491.db2.gz FNMDIRIGNAQKQO-HNNXBMFYSA-N 2 1 328.416 3.129 10 5 EGBEMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000423182805 309389492 /nfs/dbraw/zinc/38/94/92/309389492.db2.gz FNMDIRIGNAQKQO-HNNXBMFYSA-N 2 1 328.416 3.129 10 5 EGBEMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850082 456597314 /nfs/dbraw/zinc/59/73/14/456597314.db2.gz DNBUMOUWGHKKKC-GOEBONIOSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850082 456597319 /nfs/dbraw/zinc/59/73/19/456597319.db2.gz DNBUMOUWGHKKKC-GOEBONIOSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850082 456597327 /nfs/dbraw/zinc/59/73/27/456597327.db2.gz DNBUMOUWGHKKKC-GOEBONIOSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850082 456597333 /nfs/dbraw/zinc/59/73/33/456597333.db2.gz DNBUMOUWGHKKKC-GOEBONIOSA-N 2 1 335.448 3.156 10 5 EGBEMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594735687 459146068 /nfs/dbraw/zinc/14/60/68/459146068.db2.gz NAOFJCWBEJGIFU-PXPSOEEZSA-N 2 1 329.444 3.320 10 5 EGBEMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000597247748 459894580 /nfs/dbraw/zinc/89/45/80/459894580.db2.gz BUFHDLVYTMFJHZ-KVVHSQDJSA-N 2 1 347.459 3.041 10 5 EGBEMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000597247748 459894582 /nfs/dbraw/zinc/89/45/82/459894582.db2.gz BUFHDLVYTMFJHZ-KVVHSQDJSA-N 2 1 347.459 3.041 10 5 EGBEMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600707452 460575245 /nfs/dbraw/zinc/57/52/45/460575245.db2.gz HPZVFFYXCHDDAH-CZUORRHYSA-N 2 1 335.473 3.340 10 5 EGBEMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000530407475 458764095 /nfs/dbraw/zinc/76/40/95/458764095.db2.gz LRBZAUKFIYQMDY-LJQANCHMSA-N 2 1 336.395 3.250 10 5 EGBEMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594735686 459146774 /nfs/dbraw/zinc/14/67/74/459146774.db2.gz NAOFJCWBEJGIFU-HNSSHINMSA-N 2 1 329.444 3.320 10 5 EGBEMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261845075 290251506 /nfs/dbraw/zinc/25/15/06/290251506.db2.gz UWHHBGWLFAQJBM-BJZITVGISA-N 2 1 325.412 3.330 10 5 EGBEMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423182018 309389289 /nfs/dbraw/zinc/38/92/89/309389289.db2.gz DPLHXSHPGIHVCV-LJQANCHMSA-N 2 1 340.427 3.137 10 5 EGBEMP Cc1c([C@@H](C)NCCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000423184411 309389462 /nfs/dbraw/zinc/38/94/62/309389462.db2.gz HXGLAGCYUDWDLI-OAHLLOKOSA-N 2 1 328.416 3.129 10 5 EGBEMP Cc1c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000423184411 309389463 /nfs/dbraw/zinc/38/94/63/309389463.db2.gz HXGLAGCYUDWDLI-OAHLLOKOSA-N 2 1 328.416 3.129 10 5 EGBEMP C[C@@H]1C[N@H+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599023035 460129141 /nfs/dbraw/zinc/12/91/41/460129141.db2.gz QHLHPPJYJMSBMS-OKILXGFUSA-N 2 1 344.415 3.054 10 5 EGBEMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778974 1325297527 /nfs/dbraw/zinc/29/75/27/1325297527.db2.gz LCVMPCZGQQQYCS-HIFRSBDPSA-N 2 1 327.375 3.270 10 5 EGBEMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925211 141218588 /nfs/dbraw/zinc/21/85/88/141218588.db2.gz GSLDTBJJIAQUNC-ZBFHGGJFSA-N 2 1 347.459 3.346 10 5 EGBEMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925211 141218589 /nfs/dbraw/zinc/21/85/89/141218589.db2.gz GSLDTBJJIAQUNC-ZBFHGGJFSA-N 2 1 347.459 3.346 10 5 EGBEMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423182016 309389340 /nfs/dbraw/zinc/38/93/40/309389340.db2.gz DPLHXSHPGIHVCV-IBGZPJMESA-N 2 1 340.427 3.137 10 5 EGBEMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850086 456598472 /nfs/dbraw/zinc/59/84/72/456598472.db2.gz DNBUMOUWGHKKKC-ZBFHGGJFSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850086 456598476 /nfs/dbraw/zinc/59/84/76/456598476.db2.gz DNBUMOUWGHKKKC-ZBFHGGJFSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850086 456598484 /nfs/dbraw/zinc/59/84/84/456598484.db2.gz DNBUMOUWGHKKKC-ZBFHGGJFSA-N 2 1 335.448 3.156 10 5 EGBEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850086 456598489 /nfs/dbraw/zinc/59/84/89/456598489.db2.gz DNBUMOUWGHKKKC-ZBFHGGJFSA-N 2 1 335.448 3.156 10 5 EGBEMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000594735622 459144733 /nfs/dbraw/zinc/14/47/33/459144733.db2.gz LLJDPJDVQNEFQF-CQSZACIVSA-N 2 1 337.851 3.460 10 5 EGBEMP O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939823 1384415349 /nfs/dbraw/zinc/41/53/49/1384415349.db2.gz XRJHGTGJQGNKSU-FQEVSTJZSA-N 2 1 345.487 3.420 10 5 EGBEMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367493 165036576 /nfs/dbraw/zinc/03/65/76/165036576.db2.gz OMJNZGGIZYIFSW-MAUKXSAKSA-N 2 1 335.448 3.089 10 5 EGBEMP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000564210666 316124582 /nfs/dbraw/zinc/12/45/82/316124582.db2.gz HFLCQPBGFXLVRL-IBGZPJMESA-N 2 1 341.411 3.430 10 5 EGBEMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000564210666 316124586 /nfs/dbraw/zinc/12/45/86/316124586.db2.gz HFLCQPBGFXLVRL-IBGZPJMESA-N 2 1 341.411 3.430 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000560546059 459370843 /nfs/dbraw/zinc/37/08/43/459370843.db2.gz PRZTYWNBYMLHDQ-CEXWTWQISA-N 2 1 331.460 3.380 10 5 EGBEMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000596102513 459521462 /nfs/dbraw/zinc/52/14/62/459521462.db2.gz JACBQBAZYHBPCL-OAHLLOKOSA-N 2 1 334.445 3.181 10 5 EGBEMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778975 1325296726 /nfs/dbraw/zinc/29/67/26/1325296726.db2.gz LCVMPCZGQQQYCS-UKRRQHHQSA-N 2 1 327.375 3.270 10 5 EGBEMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194732 1368762823 /nfs/dbraw/zinc/76/28/23/1368762823.db2.gz UKXMMQPDMHKOEB-UHFFFAOYSA-N 2 1 349.475 3.403 10 5 EGBEMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001197928912 1368926314 /nfs/dbraw/zinc/92/63/14/1368926314.db2.gz AFMOUBSGHXGAGL-OAHLLOKOSA-N 2 1 326.400 3.009 10 5 EGBEMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001197928912 1368926319 /nfs/dbraw/zinc/92/63/19/1368926319.db2.gz AFMOUBSGHXGAGL-OAHLLOKOSA-N 2 1 326.400 3.009 10 5 EGBEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000171649285 227198035 /nfs/dbraw/zinc/19/80/35/227198035.db2.gz QIVSUJOMISUCEM-KRWDZBQOSA-N 2 1 340.427 3.275 10 5 EGBEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000171649285 227198040 /nfs/dbraw/zinc/19/80/40/227198040.db2.gz QIVSUJOMISUCEM-KRWDZBQOSA-N 2 1 340.427 3.275 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000175097025 265093381 /nfs/dbraw/zinc/09/33/81/265093381.db2.gz VTNSZLKVXHWEMX-UHFFFAOYSA-N 2 1 347.459 3.301 10 5 EGBEMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc([N+](=O)[O-])c1 ZINC000423533830 458453651 /nfs/dbraw/zinc/45/36/51/458453651.db2.gz YWOHVVJXNVKHPM-RWBCNSPNSA-N 2 1 329.444 3.399 10 5 EGBEMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000183333381 455278538 /nfs/dbraw/zinc/27/85/38/455278538.db2.gz QQSQYJBMXWBCOB-UHFFFAOYSA-N 2 1 328.416 3.091 10 5 EGBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261845080 296234466 /nfs/dbraw/zinc/23/44/66/296234466.db2.gz UWHHBGWLFAQJBM-YJLNNSPDSA-N 2 1 325.412 3.330 10 5 EGBEMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367492 165036733 /nfs/dbraw/zinc/03/67/33/165036733.db2.gz OMJNZGGIZYIFSW-CRAIPNDOSA-N 2 1 335.448 3.089 10 5 EGBEMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@]1(C)C[NH3+] ZINC000415056070 309117033 /nfs/dbraw/zinc/11/70/33/309117033.db2.gz PLDXJHMFADRWQV-FZKQIMNGSA-N 2 1 329.400 3.272 10 5 EGBEMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422708945 309364103 /nfs/dbraw/zinc/36/41/03/309364103.db2.gz CLQSOUWOIKEOJY-IXDOHACOSA-N 2 1 333.432 3.004 10 5 EGBEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596361205 459607867 /nfs/dbraw/zinc/60/78/67/459607867.db2.gz QCOJUXXMAMRFMB-LBPRGKRZSA-N 2 1 344.406 3.216 10 5 EGBEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596361205 459607875 /nfs/dbraw/zinc/60/78/75/459607875.db2.gz QCOJUXXMAMRFMB-LBPRGKRZSA-N 2 1 344.406 3.216 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000598973344 460110862 /nfs/dbraw/zinc/11/08/62/460110862.db2.gz FRIGQBAWCJWVPZ-AWEZNQCLSA-N 2 1 330.432 3.081 10 5 EGBEMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778979 1325297390 /nfs/dbraw/zinc/29/73/90/1325297390.db2.gz LCVMPCZGQQQYCS-ZFWWWQNUSA-N 2 1 327.375 3.270 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594734539 459145660 /nfs/dbraw/zinc/14/56/60/459145660.db2.gz AQRHSFMEOVYSHP-MRXNPFEDSA-N 2 1 347.459 3.205 10 5 EGBEMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000592432595 459599806 /nfs/dbraw/zinc/59/98/06/459599806.db2.gz CHICTHGNLYGITO-IBGZPJMESA-N 2 1 341.411 3.430 10 5 EGBEMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000592432595 459599809 /nfs/dbraw/zinc/59/98/09/459599809.db2.gz CHICTHGNLYGITO-IBGZPJMESA-N 2 1 341.411 3.430 10 5 EGBEMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925202 536806357 /nfs/dbraw/zinc/80/63/57/536806357.db2.gz GSLDTBJJIAQUNC-GOEBONIOSA-N 2 1 347.459 3.346 10 5 EGBEMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925202 536806363 /nfs/dbraw/zinc/80/63/63/536806363.db2.gz GSLDTBJJIAQUNC-GOEBONIOSA-N 2 1 347.459 3.346 10 5 EGBEMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784606 1296530295 /nfs/dbraw/zinc/53/02/95/1296530295.db2.gz IHMVIFZWAFRWDQ-FFHGMXDLSA-N 2 1 346.431 3.335 10 5 EGBEMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784606 1296530296 /nfs/dbraw/zinc/53/02/96/1296530296.db2.gz IHMVIFZWAFRWDQ-FFHGMXDLSA-N 2 1 346.431 3.335 10 5 EGBEMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784605 1296530489 /nfs/dbraw/zinc/53/04/89/1296530489.db2.gz IHMVIFZWAFRWDQ-AVOUXACISA-N 2 1 346.431 3.335 10 5 EGBEMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784605 1296530500 /nfs/dbraw/zinc/53/05/00/1296530500.db2.gz IHMVIFZWAFRWDQ-AVOUXACISA-N 2 1 346.431 3.335 10 5 EGBEMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592376497 459584496 /nfs/dbraw/zinc/58/44/96/459584496.db2.gz UBDLNAZHGKCACT-MJGOQNOKSA-N 2 1 325.412 3.030 10 5 EGBEMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592376497 459584501 /nfs/dbraw/zinc/58/45/01/459584501.db2.gz UBDLNAZHGKCACT-MJGOQNOKSA-N 2 1 325.412 3.030 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000552283386 315210825 /nfs/dbraw/zinc/21/08/25/315210825.db2.gz BLUBVBBRLPKOOR-PMPSAXMXSA-N 2 1 337.851 3.253 10 5 EGBEMP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000564210667 316124254 /nfs/dbraw/zinc/12/42/54/316124254.db2.gz HFLCQPBGFXLVRL-LJQANCHMSA-N 2 1 341.411 3.430 10 5 EGBEMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000564210667 316124259 /nfs/dbraw/zinc/12/42/59/316124259.db2.gz HFLCQPBGFXLVRL-LJQANCHMSA-N 2 1 341.411 3.430 10 5 EGBEMP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000177046028 454815975 /nfs/dbraw/zinc/81/59/75/454815975.db2.gz ANLBDGPYKCGBGP-UHFFFAOYSA-N 2 1 344.415 3.044 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000560546065 459371205 /nfs/dbraw/zinc/37/12/05/459371205.db2.gz PRZTYWNBYMLHDQ-FHWLQOOXSA-N 2 1 331.460 3.380 10 5 EGBEMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000597247747 459894686 /nfs/dbraw/zinc/89/46/86/459894686.db2.gz BUFHDLVYTMFJHZ-BAILOTOSSA-N 2 1 347.459 3.041 10 5 EGBEMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000597247747 459894688 /nfs/dbraw/zinc/89/46/88/459894688.db2.gz BUFHDLVYTMFJHZ-BAILOTOSSA-N 2 1 347.459 3.041 10 5 EGBEMP O=[N+]([O-])c1cccc(C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000923369412 1322741591 /nfs/dbraw/zinc/74/15/91/1322741591.db2.gz KAPJCOSOLJPLOH-ZXFUBFMLSA-N 2 1 329.444 3.480 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCC[C@H]21 ZINC000580494140 325256470 /nfs/dbraw/zinc/25/64/70/325256470.db2.gz ZCDNUKQNNGYXLE-AYOQOUSVSA-N 2 1 342.443 3.081 10 5 EGBEMP CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000265451460 455327291 /nfs/dbraw/zinc/32/72/91/455327291.db2.gz CKBNIOVPVOCBFR-UHFFFAOYSA-N 2 1 344.415 3.485 10 5 EGBEMP Cc1cc(N2CC[N@H+]3CCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302185624 456309793 /nfs/dbraw/zinc/30/97/93/456309793.db2.gz PGPXOCNGERNKGJ-HNNXBMFYSA-N 2 1 326.400 3.126 10 5 EGBEMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000560546066 459370680 /nfs/dbraw/zinc/37/06/80/459370680.db2.gz PRZTYWNBYMLHDQ-GBESFXJTSA-N 2 1 331.460 3.380 10 5 EGBEMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000075799844 453926810 /nfs/dbraw/zinc/92/68/10/453926810.db2.gz FCFAIZIDGWDRAY-UHFFFAOYSA-N 2 1 339.439 3.392 10 5 EGBEMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875996 454660862 /nfs/dbraw/zinc/66/08/62/454660862.db2.gz QYNWFLAZNACXQZ-AWEZNQCLSA-N 2 1 328.416 3.344 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178308762 528612134 /nfs/dbraw/zinc/61/21/34/528612134.db2.gz AXDRSOLNKLNJKN-KRWDZBQOSA-N 2 1 344.415 3.163 10 5 EGBEMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178308762 528612139 /nfs/dbraw/zinc/61/21/39/528612139.db2.gz AXDRSOLNKLNJKN-KRWDZBQOSA-N 2 1 344.415 3.163 10 5 EGBEMP