smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712192 460575252 /nfs/dbraw/zinc/57/52/52/460575252.db2.gz UPHGYBBBUXGKKX-CYBMUJFWSA-N 2 0 349.456 3.210 10 5 EGBERP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192789902 455694026 /nfs/dbraw/zinc/69/40/26/455694026.db2.gz UIZRPANIKMOIRR-LJQANCHMSA-N 2 0 348.491 3.052 10 5 EGBERP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000352769556 456290277 /nfs/dbraw/zinc/29/02/77/456290277.db2.gz NIUNKCGHDFGOKO-UHFFFAOYSA-N 2 0 335.448 3.157 10 5 EGBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000271071232 275237794 /nfs/dbraw/zinc/23/77/94/275237794.db2.gz FFDSEOHPWITIRI-CABCVRRESA-N 2 0 337.489 3.397 10 5 EGBERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000866517655 1330120891 /nfs/dbraw/zinc/12/08/91/1330120891.db2.gz MJWPUGFHMOMQGB-GARNVTTQSA-N 2 0 349.479 3.128 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000552283384 315211026 /nfs/dbraw/zinc/21/10/26/315211026.db2.gz BLUBVBBRLPKOOR-JYJNAYRXSA-N 2 0 337.851 3.253 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCC[C@@H]21 ZINC000580494142 325256480 /nfs/dbraw/zinc/25/64/80/325256480.db2.gz ZCDNUKQNNGYXLE-SNRMKQJTSA-N 2 0 342.443 3.081 10 5 EGBERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000423509360 458447769 /nfs/dbraw/zinc/44/77/69/458447769.db2.gz OSKSLYFLCJKPEL-LSBZLQRGSA-N 2 0 325.412 3.401 10 5 EGBERP Cc1cc(NC2CC[NH+](C3CCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450874838 310147107 /nfs/dbraw/zinc/14/71/07/310147107.db2.gz GZWNFGWUKBXECJ-UHFFFAOYSA-N 2 0 340.427 3.302 10 5 EGBERP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600757231 460592675 /nfs/dbraw/zinc/59/26/75/460592675.db2.gz STXDBAVHGDQKBT-MAUKXSAKSA-N 2 0 347.459 3.055 10 5 EGBERP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)o1 ZINC000591281598 459346902 /nfs/dbraw/zinc/34/69/02/459346902.db2.gz CRPDRFJNZYZUOL-QGZVFWFLSA-N 2 0 327.384 3.087 10 5 EGBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000596652071 459714942 /nfs/dbraw/zinc/71/49/42/459714942.db2.gz GAIUUCJQYRWXFB-UONOGXRCSA-N 2 0 325.478 3.429 10 5 EGBERP C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000597247742 459894540 /nfs/dbraw/zinc/89/45/40/459894540.db2.gz BUFHDLVYTMFJHZ-APEZIOSESA-N 2 0 347.459 3.041 10 5 EGBERP Cc1c(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001175767790 1385399096 /nfs/dbraw/zinc/39/90/96/1385399096.db2.gz KEVQDWIJBDVWRA-AWEZNQCLSA-N 2 0 326.400 3.009 10 5 EGBERP Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261764168 274713473 /nfs/dbraw/zinc/71/34/73/274713473.db2.gz WCYXJXTXRJJCPN-MAZHCROVSA-N 2 0 326.400 3.015 10 5 EGBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594510021 459067813 /nfs/dbraw/zinc/06/78/13/459067813.db2.gz MWRYYSSJEYBZHC-KFWWJZLASA-N 2 0 337.489 3.395 10 5 EGBERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925887768 1325344323 /nfs/dbraw/zinc/34/43/23/1325344323.db2.gz LYUJAZGNABCTCU-UCLAIMLFSA-N 2 0 325.412 3.305 10 5 EGBERP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367494 165036469 /nfs/dbraw/zinc/03/64/69/165036469.db2.gz OMJNZGGIZYIFSW-QAPCUYQASA-N 2 0 335.448 3.089 10 5 EGBERP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414806594 309102605 /nfs/dbraw/zinc/10/26/05/309102605.db2.gz HTIZPEKKCQMBDS-CYBMUJFWSA-N 2 0 329.400 3.303 10 5 EGBERP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414806596 309102638 /nfs/dbraw/zinc/10/26/38/309102638.db2.gz HTIZPEKKCQMBDS-ZDUSSCGKSA-N 2 0 329.400 3.303 10 5 EGBERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942325 309110416 /nfs/dbraw/zinc/11/04/16/309110416.db2.gz MMOJFYLFAOUJED-MLGOLLRUSA-N 2 0 331.441 3.411 10 5 EGBERP CCOc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232429 309391611 /nfs/dbraw/zinc/39/16/11/309391611.db2.gz CFCMIDWHIOLMQB-CJNGLKHVSA-N 2 0 329.400 3.344 10 5 EGBERP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000554527681 315328641 /nfs/dbraw/zinc/32/86/41/315328641.db2.gz XRPRRJNJRXPYNX-UHFFFAOYSA-N 2 0 335.448 3.156 10 5 EGBERP CCC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260034 1330086715 /nfs/dbraw/zinc/08/67/15/1330086715.db2.gz SBIOJUWXEGTNQG-CQSZACIVSA-N 2 0 337.439 3.377 10 5 EGBERP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001175687103 1385373771 /nfs/dbraw/zinc/37/37/71/1385373771.db2.gz JDIYXYILOLYJFM-UHFFFAOYSA-N 2 0 335.448 3.301 10 5 EGBERP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414908885 309108693 /nfs/dbraw/zinc/10/86/93/309108693.db2.gz BMQLRDPNSFNOAP-WFASDCNBSA-N 2 0 331.441 3.411 10 5 EGBERP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900900 459481157 /nfs/dbraw/zinc/48/11/57/459481157.db2.gz OSUJLSLAPQRVCM-AWEZNQCLSA-N 2 0 337.851 3.460 10 5 EGBERP O=[N+]([O-])c1ccc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000923371616 1322741885 /nfs/dbraw/zinc/74/18/85/1322741885.db2.gz CLVIDWQEWHWZSV-ALOPSCKCSA-N 2 0 329.444 3.480 10 5 EGBERP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000594735621 459145188 /nfs/dbraw/zinc/14/51/88/459145188.db2.gz LLJDPJDVQNEFQF-AWEZNQCLSA-N 2 0 337.851 3.460 10 5 EGBERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000866517657 1330121058 /nfs/dbraw/zinc/12/10/58/1330121058.db2.gz MJWPUGFHMOMQGB-NDUQDZPOSA-N 2 0 349.479 3.128 10 5 EGBERP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414908884 309108628 /nfs/dbraw/zinc/10/86/28/309108628.db2.gz BMQLRDPNSFNOAP-SWLSCSKDSA-N 2 0 331.441 3.411 10 5 EGBERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000423509355 309403700 /nfs/dbraw/zinc/40/37/00/309403700.db2.gz OSKSLYFLCJKPEL-DKSSEZFCSA-N 2 0 325.412 3.401 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000594522284 459078794 /nfs/dbraw/zinc/07/87/94/459078794.db2.gz OXTRMUSRQWGODE-OKILXGFUSA-N 2 0 329.400 3.285 10 5 EGBERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942319 309110328 /nfs/dbraw/zinc/11/03/28/309110328.db2.gz MMOJFYLFAOUJED-BLLLJJGKSA-N 2 0 331.441 3.411 10 5 EGBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261747103 455939557 /nfs/dbraw/zinc/93/95/57/455939557.db2.gz PUFUHOROMNTGOO-MJGOQNOKSA-N 2 0 325.412 3.078 10 5 EGBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594510023 459067776 /nfs/dbraw/zinc/06/77/76/459067776.db2.gz MWRYYSSJEYBZHC-SOUVJXGZSA-N 2 0 337.489 3.395 10 5 EGBERP CC[NH+](CC)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351971227 165174165 /nfs/dbraw/zinc/17/41/65/165174165.db2.gz RBJQZKQANJNPAG-UHFFFAOYSA-N 2 0 335.448 3.157 10 5 EGBERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933860 309110042 /nfs/dbraw/zinc/11/00/42/309110042.db2.gz DTIRINZGDASDLS-SWLSCSKDSA-N 2 0 331.441 3.411 10 5 EGBERP CCOc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232430 309391566 /nfs/dbraw/zinc/39/15/66/309391566.db2.gz CFCMIDWHIOLMQB-CZUORRHYSA-N 2 0 329.400 3.344 10 5 EGBERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000866517654 1330120941 /nfs/dbraw/zinc/12/09/41/1330120941.db2.gz MJWPUGFHMOMQGB-BNQMIIOLSA-N 2 0 349.479 3.128 10 5 EGBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000271071235 275237761 /nfs/dbraw/zinc/23/77/61/275237761.db2.gz FFDSEOHPWITIRI-GJZGRUSLSA-N 2 0 337.489 3.397 10 5 EGBERP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900901 459481776 /nfs/dbraw/zinc/48/17/76/459481776.db2.gz OSUJLSLAPQRVCM-CQSZACIVSA-N 2 0 337.851 3.460 10 5 EGBERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000593314793 459838741 /nfs/dbraw/zinc/83/87/41/459838741.db2.gz AANFHYWHBLEBBC-HNNXBMFYSA-N 2 0 327.428 3.425 10 5 EGBERP C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000597247750 459894341 /nfs/dbraw/zinc/89/43/41/459894341.db2.gz BUFHDLVYTMFJHZ-UIRWJGRMSA-N 2 0 347.459 3.041 10 5 EGBERP CCC(=O)OC(C[N+]1(C)CCCCCC1)C[N+]1(C)CCCCCC1 ZINC000000028232 452491328 /nfs/dbraw/zinc/49/13/28/452491328.db2.gz PGTWPTNLHCMKBV-UHFFFAOYSA-N 2 0 340.552 3.349 10 5 EGBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591579189 459405431 /nfs/dbraw/zinc/40/54/31/459405431.db2.gz ANQUXPWJPCWFBT-XJKSGUPXSA-N 2 0 335.473 3.197 10 5 EGBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000596652072 459715112 /nfs/dbraw/zinc/71/51/12/459715112.db2.gz GAIUUCJQYRWXFB-ZIAGYGMSSA-N 2 0 325.478 3.429 10 5 EGBERP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422935360 309377015 /nfs/dbraw/zinc/37/70/15/309377015.db2.gz AEVPWAGDNUDVIP-ARFHVFGLSA-N 2 0 333.432 3.004 10 5 EGBERP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192789887 455693344 /nfs/dbraw/zinc/69/33/44/455693344.db2.gz UIZRPANIKMOIRR-IBGZPJMESA-N 2 0 348.491 3.052 10 5 EGBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591579185 459405848 /nfs/dbraw/zinc/40/58/48/459405848.db2.gz ANQUXPWJPCWFBT-BBRMVZONSA-N 2 0 335.473 3.197 10 5 EGBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591579187 459406453 /nfs/dbraw/zinc/40/64/53/459406453.db2.gz ANQUXPWJPCWFBT-CZUORRHYSA-N 2 0 335.473 3.197 10 5 EGBERP [NH3+]CC1(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593318941 459839715 /nfs/dbraw/zinc/83/97/15/459839715.db2.gz HMNGQQYRBJKQJK-SFHVURJKSA-N 2 0 325.412 3.403 10 5 EGBERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000866517656 1330121056 /nfs/dbraw/zinc/12/10/56/1330121056.db2.gz MJWPUGFHMOMQGB-LPMVOBIJSA-N 2 0 349.479 3.128 10 5 EGBERP CC(C)c1ccc(CNCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000414875758 309106671 /nfs/dbraw/zinc/10/66/71/309106671.db2.gz JNHQXAIAQBBSCA-UHFFFAOYSA-N 2 0 342.443 3.383 10 5 EGBERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000423509352 309403641 /nfs/dbraw/zinc/40/36/41/309403641.db2.gz OSKSLYFLCJKPEL-BJZITVGISA-N 2 0 325.412 3.401 10 5 EGBERP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594735685 459145889 /nfs/dbraw/zinc/14/58/89/459145889.db2.gz NAOFJCWBEJGIFU-CJISVDGZSA-N 2 0 329.444 3.320 10 5 EGBERP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000595891596 459476888 /nfs/dbraw/zinc/47/68/88/459476888.db2.gz IYDSWLXUMHNYIS-LJQANCHMSA-N 2 0 325.412 3.481 10 5 EGBERP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000925839885 1325324107 /nfs/dbraw/zinc/32/41/07/1325324107.db2.gz FRCGULUTAQOQTC-BHIYHBOVSA-N 2 0 329.444 3.038 10 5 EGBERP O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939824 1384415293 /nfs/dbraw/zinc/41/52/93/1384415293.db2.gz XRJHGTGJQGNKSU-HXUWFJFHSA-N 2 0 345.487 3.420 10 5 EGBERP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722672 265132368 /nfs/dbraw/zinc/13/23/68/265132368.db2.gz SMPYPVLCMPJDRU-DOMZBBRYSA-N 2 0 325.840 3.410 10 5 EGBERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933859 309109938 /nfs/dbraw/zinc/10/99/38/309109938.db2.gz DTIRINZGDASDLS-IUODEOHRSA-N 2 0 331.441 3.411 10 5 EGBERP O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC[NH2+]4)CC3)o2)cc1 ZINC000422559445 309361706 /nfs/dbraw/zinc/36/17/06/309361706.db2.gz CYZZBTWRFMXUDK-UHFFFAOYSA-N 2 0 327.384 3.183 10 5 EGBERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423290582 309394195 /nfs/dbraw/zinc/39/41/95/309394195.db2.gz DPOOCLYBEQNMRP-IAOVAPTHSA-N 2 0 343.431 3.085 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCC[C@H]21 ZINC000580494143 325256442 /nfs/dbraw/zinc/25/64/42/325256442.db2.gz ZCDNUKQNNGYXLE-ZYSHUDEJSA-N 2 0 342.443 3.081 10 5 EGBERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593323062 459841135 /nfs/dbraw/zinc/84/11/35/459841135.db2.gz OTBHKZAQHMIEBC-LJQANCHMSA-N 2 0 325.412 3.481 10 5 EGBERP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414908882 309108608 /nfs/dbraw/zinc/10/86/08/309108608.db2.gz BMQLRDPNSFNOAP-DOMZBBRYSA-N 2 0 331.441 3.411 10 5 EGBERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933858 309110023 /nfs/dbraw/zinc/11/00/23/309110023.db2.gz DTIRINZGDASDLS-DOMZBBRYSA-N 2 0 331.441 3.411 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000552283383 315210767 /nfs/dbraw/zinc/21/07/67/315210767.db2.gz BLUBVBBRLPKOOR-HRCADAONSA-N 2 0 337.851 3.253 10 5 EGBERP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000595891594 459476833 /nfs/dbraw/zinc/47/68/33/459476833.db2.gz IYDSWLXUMHNYIS-IBGZPJMESA-N 2 0 325.412 3.481 10 5 EGBERP O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)c1 ZINC000595894180 459477854 /nfs/dbraw/zinc/47/78/54/459477854.db2.gz VFBHEQUOAVMPGC-UHFFFAOYSA-N 2 0 337.423 3.405 10 5 EGBERP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134193824 454513727 /nfs/dbraw/zinc/51/37/27/454513727.db2.gz KFMXJTCFBPFIGK-FNORWQNLSA-N 2 0 329.444 3.416 10 5 EGBERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593323061 459841589 /nfs/dbraw/zinc/84/15/89/459841589.db2.gz OTBHKZAQHMIEBC-IBGZPJMESA-N 2 0 325.412 3.481 10 5 EGBERP CCC1(N2CCOCC2)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599083342 460155460 /nfs/dbraw/zinc/15/54/60/460155460.db2.gz IXTFPCDDLKJNFK-MRXNPFEDSA-N 2 0 347.459 3.233 10 5 EGBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000271071238 275237907 /nfs/dbraw/zinc/23/79/07/275237907.db2.gz FFDSEOHPWITIRI-HUUCEWRRSA-N 2 0 337.489 3.397 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000594523739 459079936 /nfs/dbraw/zinc/07/99/36/459079936.db2.gz ZZCPLMAVSDCJHB-AKAXFMLLSA-N 2 0 329.400 3.285 10 5 EGBERP C[NH+](C)CCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264989252 535831881 /nfs/dbraw/zinc/83/18/81/535831881.db2.gz WROGFDDQIZMAQP-UHFFFAOYSA-N 2 0 334.445 3.150 10 5 EGBERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000925882287 1325342172 /nfs/dbraw/zinc/34/21/72/1325342172.db2.gz KCHHFKBRURJBQR-POZUXBRTSA-N 2 0 325.412 3.401 10 5 EGBERP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927038351 1327826626 /nfs/dbraw/zinc/82/66/26/1327826626.db2.gz PRXWUHOUUJPMSM-UQHVZDHRSA-N 2 0 332.448 3.235 10 5 EGBERP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414825487 309103895 /nfs/dbraw/zinc/10/38/95/309103895.db2.gz CHFVAHGOSSIZLW-ZDUSSCGKSA-N 2 0 331.441 3.413 10 5 EGBERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000594710802 459136612 /nfs/dbraw/zinc/13/66/12/459136612.db2.gz MDTPCONAIVKTRX-OAHLLOKOSA-N 2 0 347.459 3.136 10 5 EGBERP C[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000598973345 460111940 /nfs/dbraw/zinc/11/19/40/460111940.db2.gz FRIGQBAWCJWVPZ-CQSZACIVSA-N 2 0 330.432 3.081 10 5 EGBERP C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000095431717 218373309 /nfs/dbraw/zinc/37/33/09/218373309.db2.gz XODZVGQZRXUQBK-OAHLLOKOSA-N 2 0 340.427 3.305 10 5 EGBERP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000578749474 325012712 /nfs/dbraw/zinc/01/27/12/325012712.db2.gz KIJZDVGULDTMKF-UHFFFAOYSA-N 2 0 330.432 3.083 10 5 EGBERP CCC1(N2CCOCC2)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599083341 460155026 /nfs/dbraw/zinc/15/50/26/460155026.db2.gz IXTFPCDDLKJNFK-INIZCTEOSA-N 2 0 347.459 3.233 10 5 EGBERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933861 309110053 /nfs/dbraw/zinc/11/00/53/309110053.db2.gz DTIRINZGDASDLS-WFASDCNBSA-N 2 0 331.441 3.411 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594522985 459079522 /nfs/dbraw/zinc/07/95/22/459079522.db2.gz UMVIJENDJYACNB-DRQUAOQDSA-N 2 0 346.456 3.148 10 5 EGBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953868 534094230 /nfs/dbraw/zinc/09/42/30/534094230.db2.gz KLQPZBOXFDFOFE-INIZCTEOSA-N 2 0 347.459 3.233 10 5 EGBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000271071242 275237912 /nfs/dbraw/zinc/23/79/12/275237912.db2.gz FFDSEOHPWITIRI-LSDHHAIUSA-N 2 0 337.489 3.397 10 5 EGBERP O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423251359 309392266 /nfs/dbraw/zinc/39/22/66/309392266.db2.gz RVZUOCAXTDOHQG-HNAYVOBHSA-N 2 0 325.412 3.273 10 5 EGBERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423290585 309394181 /nfs/dbraw/zinc/39/41/81/309394181.db2.gz DPOOCLYBEQNMRP-XKQJLSEDSA-N 2 0 343.431 3.085 10 5 EGBERP Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595890531 459476400 /nfs/dbraw/zinc/47/64/00/459476400.db2.gz DVAUKIYRCLRPRB-AWEZNQCLSA-N 2 0 325.412 3.400 10 5 EGBERP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000566351779 459846414 /nfs/dbraw/zinc/84/64/14/459846414.db2.gz CDLYUAJTUCQLNP-UHFFFAOYSA-N 2 0 337.423 3.405 10 5 EGBERP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367495 165036869 /nfs/dbraw/zinc/03/68/69/165036869.db2.gz OMJNZGGIZYIFSW-YJBOKZPZSA-N 2 0 335.448 3.089 10 5 EGBERP CC(C)[NH+]1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000561782005 459483475 /nfs/dbraw/zinc/48/34/75/459483475.db2.gz KAVLOBRAIZBJJQ-UHFFFAOYSA-N 2 0 330.432 3.081 10 5 EGBERP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592376416 459584272 /nfs/dbraw/zinc/58/42/72/459584272.db2.gz JYIJDLZKIFKADF-QUCCMNQESA-N 2 0 339.439 3.338 10 5 EGBERP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000414186728 309065552 /nfs/dbraw/zinc/06/55/52/309065552.db2.gz PHDQHVFYUVKSHX-CYBMUJFWSA-N 2 0 340.383 3.492 10 5 EGBERP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)o1 ZINC000591281597 459346883 /nfs/dbraw/zinc/34/68/83/459346883.db2.gz CRPDRFJNZYZUOL-KRWDZBQOSA-N 2 0 327.384 3.087 10 5 EGBERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000925631374 1325239709 /nfs/dbraw/zinc/23/97/09/1325239709.db2.gz XQRVKIURIWSYRT-ZIAGYGMSSA-N 2 0 325.840 3.286 10 5 EGBERP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000237824374 455223377 /nfs/dbraw/zinc/22/33/77/455223377.db2.gz QJKDVHGHASIWLK-UHFFFAOYSA-N 2 0 346.818 3.402 10 5 EGBERP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)c2c1 ZINC000588959480 460011694 /nfs/dbraw/zinc/01/16/94/460011694.db2.gz CJNVIYUZXYVTSN-UHFFFAOYSA-N 2 0 342.443 3.083 10 5 EGBERP CCOc1cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850080 456597463 /nfs/dbraw/zinc/59/74/63/456597463.db2.gz DNBUMOUWGHKKKC-GDBMZVCRSA-N 2 0 335.448 3.156 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000594509502 459068000 /nfs/dbraw/zinc/06/80/00/459068000.db2.gz IXMBUBXONTZRPP-LMSBXDPUSA-N 2 0 331.460 3.236 10 5 EGBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364083665 144391083 /nfs/dbraw/zinc/39/10/83/144391083.db2.gz UCEXIUPVVCSDTQ-MRXNPFEDSA-N 2 0 347.459 3.090 10 5 EGBERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722696 265132512 /nfs/dbraw/zinc/13/25/12/265132512.db2.gz SMPYPVLCMPJDRU-IUODEOHRSA-N 2 0 325.840 3.410 10 5 EGBERP Cc1cc(NC2CC([NH+]3CCCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480820538 310901374 /nfs/dbraw/zinc/90/13/74/310901374.db2.gz FACKQDXWZSMXAA-UHFFFAOYSA-N 2 0 340.427 3.302 10 5 EGBERP CCOc1ccc([C@H](C)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232427 309391661 /nfs/dbraw/zinc/39/16/61/309391661.db2.gz CFCMIDWHIOLMQB-BBRMVZONSA-N 2 0 329.400 3.344 10 5 EGBERP O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000595890995 459477172 /nfs/dbraw/zinc/47/71/72/459477172.db2.gz HDERIDQUVMCTES-UHFFFAOYSA-N 2 0 337.423 3.405 10 5 EGBERP CSC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000872072835 1296717694 /nfs/dbraw/zinc/71/76/94/1296717694.db2.gz KHJRIBLDGRWFKE-LBPRGKRZSA-N 2 0 341.452 3.212 10 5 EGBERP Cc1c(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001175767793 1385398986 /nfs/dbraw/zinc/39/89/86/1385398986.db2.gz KEVQDWIJBDVWRA-CQSZACIVSA-N 2 0 326.400 3.009 10 5 EGBERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712193 460574737 /nfs/dbraw/zinc/57/47/37/460574737.db2.gz UPHGYBBBUXGKKX-ZDUSSCGKSA-N 2 0 349.456 3.210 10 5 EGBERP O=[N+]([O-])c1ccccc1C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923370605 1322742553 /nfs/dbraw/zinc/74/25/53/1322742553.db2.gz WKAWYWPVTXAOGC-ZXFUBFMLSA-N 2 0 329.444 3.480 10 5 EGBERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925887767 1325344794 /nfs/dbraw/zinc/34/47/94/1325344794.db2.gz LYUJAZGNABCTCU-BJZITVGISA-N 2 0 325.412 3.305 10 5 EGBERP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261764166 274713013 /nfs/dbraw/zinc/71/30/13/274713013.db2.gz WCYXJXTXRJJCPN-APHBMKBZSA-N 2 0 326.400 3.015 10 5 EGBERP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000255771127 308059668 /nfs/dbraw/zinc/05/96/68/308059668.db2.gz KFMXJTCFBPFIGK-ALCCZGGFSA-N 2 0 329.444 3.416 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCC[C@@H]21 ZINC000580494141 325256147 /nfs/dbraw/zinc/25/61/47/325256147.db2.gz ZCDNUKQNNGYXLE-MNEFBYGVSA-N 2 0 342.443 3.081 10 5 EGBERP Cc1cc(N2CCC[N@@H+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181496618 455344600 /nfs/dbraw/zinc/34/46/00/455344600.db2.gz PRZZWIHCOGHZQH-UHFFFAOYSA-N 2 0 326.400 3.126 10 5 EGBERP CCOc1cc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850084 456598385 /nfs/dbraw/zinc/59/83/85/456598385.db2.gz DNBUMOUWGHKKKC-HOCLYGCPSA-N 2 0 335.448 3.156 10 5 EGBERP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594735688 459146685 /nfs/dbraw/zinc/14/66/85/459146685.db2.gz NAOFJCWBEJGIFU-VDNIUXDYSA-N 2 0 329.444 3.320 10 5 EGBERP COc1ccc(-c2ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)o2)c([N+](=O)[O-])c1 ZINC000596111654 459525654 /nfs/dbraw/zinc/52/56/54/459525654.db2.gz ZSVISLKYTXQLJF-MRXNPFEDSA-N 2 0 347.415 3.326 10 5 EGBERP C[NH2+]Cc1ccccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593323048 459841768 /nfs/dbraw/zinc/84/17/68/459841768.db2.gz OPBCXMDHWBQTAL-LJQANCHMSA-N 2 0 339.439 3.425 10 5 EGBERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942322 309110374 /nfs/dbraw/zinc/11/03/74/309110374.db2.gz MMOJFYLFAOUJED-LRDDRELGSA-N 2 0 331.441 3.411 10 5 EGBERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422935373 309376890 /nfs/dbraw/zinc/37/68/90/309376890.db2.gz AEVPWAGDNUDVIP-OWCLPIDISA-N 2 0 333.432 3.004 10 5 EGBERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422935369 309376953 /nfs/dbraw/zinc/37/69/53/309376953.db2.gz AEVPWAGDNUDVIP-BZUAXINKSA-N 2 0 333.432 3.004 10 5 EGBERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000423509358 309403675 /nfs/dbraw/zinc/40/36/75/309403675.db2.gz OSKSLYFLCJKPEL-LJHODMEESA-N 2 0 325.412 3.401 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000552283385 315210754 /nfs/dbraw/zinc/21/07/54/315210754.db2.gz BLUBVBBRLPKOOR-OWCLPIDISA-N 2 0 337.851 3.253 10 5 EGBERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600709983 460574564 /nfs/dbraw/zinc/57/45/64/460574564.db2.gz LVJVKAXYCXUAEW-CYBMUJFWSA-N 2 0 349.456 3.339 10 5 EGBERP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600757228 460592386 /nfs/dbraw/zinc/59/23/86/460592386.db2.gz STXDBAVHGDQKBT-CRAIPNDOSA-N 2 0 347.459 3.055 10 5 EGBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591579186 459405858 /nfs/dbraw/zinc/40/58/58/459405858.db2.gz ANQUXPWJPCWFBT-CJNGLKHVSA-N 2 0 335.473 3.197 10 5 EGBERP [NH3+]CC1(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593318936 459839448 /nfs/dbraw/zinc/83/94/48/459839448.db2.gz HMNGQQYRBJKQJK-GOSISDBHSA-N 2 0 325.412 3.403 10 5 EGBERP C[NH+]1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)(c2ccccc2)CC1 ZINC000865773657 1329736894 /nfs/dbraw/zinc/73/68/94/1329736894.db2.gz GCMZRUYJRVUSMZ-UHFFFAOYSA-N 2 0 339.439 3.348 10 5 EGBERP COc1ccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001175600868 1385345959 /nfs/dbraw/zinc/34/59/59/1385345959.db2.gz DQINDJNSELIAPW-UHFFFAOYSA-N 2 0 349.475 3.403 10 5 EGBERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595050579 459228241 /nfs/dbraw/zinc/22/82/41/459228241.db2.gz SFFDAICPWICHAB-OAHLLOKOSA-N 2 0 347.459 3.136 10 5 EGBERP O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)c1 ZINC000517576209 312384335 /nfs/dbraw/zinc/38/43/35/312384335.db2.gz LLULLUMBKJLADH-UHFFFAOYSA-N 2 0 337.423 3.405 10 5 EGBERP CC[NH+](CC)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430204654 458421291 /nfs/dbraw/zinc/42/12/91/458421291.db2.gz SCGQYNVTFSWLRF-UHFFFAOYSA-N 2 0 335.448 3.157 10 5 EGBERP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)o2)c1 ZINC000591281624 459347333 /nfs/dbraw/zinc/34/73/33/459347333.db2.gz GBIMFYDYZNZKCH-KRWDZBQOSA-N 2 0 327.384 3.087 10 5 EGBERP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414825485 309104008 /nfs/dbraw/zinc/10/40/08/309104008.db2.gz CHFVAHGOSSIZLW-CYBMUJFWSA-N 2 0 331.441 3.413 10 5 EGBERP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)o1 ZINC000414851294 309105556 /nfs/dbraw/zinc/10/55/56/309105556.db2.gz OHEULBVSPOPAMH-CQSZACIVSA-N 2 0 329.400 3.334 10 5 EGBERP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414908883 309108686 /nfs/dbraw/zinc/10/86/86/309108686.db2.gz BMQLRDPNSFNOAP-IUODEOHRSA-N 2 0 331.441 3.411 10 5 EGBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798198 1325306341 /nfs/dbraw/zinc/30/63/41/1325306341.db2.gz QLEUYBBYRPKMAG-KFWWJZLASA-N 2 0 337.489 3.301 10 5 EGBERP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000925839886 1325323802 /nfs/dbraw/zinc/32/38/02/1325323802.db2.gz FRCGULUTAQOQTC-QXAKKESOSA-N 2 0 329.444 3.038 10 5 EGBERP C[N@H+](CCCC[NH+]1CCCCC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC001175686472 1385374218 /nfs/dbraw/zinc/37/42/18/1385374218.db2.gz FPMWBFWJUFYOEJ-UHFFFAOYSA-N 2 0 335.448 3.172 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000594509503 459068586 /nfs/dbraw/zinc/06/85/86/459068586.db2.gz IXMBUBXONTZRPP-ONIAQPFYSA-N 2 0 331.460 3.236 10 5 EGBERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000925882288 1325342571 /nfs/dbraw/zinc/34/25/71/1325342571.db2.gz KCHHFKBRURJBQR-YJLNNSPDSA-N 2 0 325.412 3.401 10 5 EGBERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942327 309110290 /nfs/dbraw/zinc/11/02/90/309110290.db2.gz MMOJFYLFAOUJED-WBMJQRKESA-N 2 0 331.441 3.411 10 5 EGBERP O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423251358 309392420 /nfs/dbraw/zinc/39/24/20/309392420.db2.gz RVZUOCAXTDOHQG-DNVCBOLYSA-N 2 0 325.412 3.273 10 5 EGBERP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000414177177 309064958 /nfs/dbraw/zinc/06/49/58/309064958.db2.gz IBOADKFDEQIERG-GOSISDBHSA-N 2 0 336.395 3.353 10 5 EGBERP O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423251360 309392339 /nfs/dbraw/zinc/39/23/39/309392339.db2.gz RVZUOCAXTDOHQG-KXBFYZLASA-N 2 0 325.412 3.273 10 5 EGBERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000594710801 459136541 /nfs/dbraw/zinc/13/65/41/459136541.db2.gz MDTPCONAIVKTRX-HNNXBMFYSA-N 2 0 347.459 3.136 10 5 EGBERP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594734538 459144987 /nfs/dbraw/zinc/14/49/87/459144987.db2.gz AQRHSFMEOVYSHP-INIZCTEOSA-N 2 0 347.459 3.205 10 5 EGBERP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848148 1322632083 /nfs/dbraw/zinc/63/20/83/1322632083.db2.gz OLGKRJBUJBADEO-UHFFFAOYSA-N 2 0 347.459 3.490 10 5 EGBERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000925631373 1325239616 /nfs/dbraw/zinc/23/96/16/1325239616.db2.gz XQRVKIURIWSYRT-UONOGXRCSA-N 2 0 325.840 3.286 10 5 EGBERP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302185625 456310656 /nfs/dbraw/zinc/31/06/56/456310656.db2.gz PGPXOCNGERNKGJ-OAHLLOKOSA-N 2 0 326.400 3.126 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000594509505 459067542 /nfs/dbraw/zinc/06/75/42/459067542.db2.gz IXMBUBXONTZRPP-XYVMCAHJSA-N 2 0 331.460 3.236 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000594521060 459078740 /nfs/dbraw/zinc/07/87/40/459078740.db2.gz LFWFKDOJYUMWPX-AKAXFMLLSA-N 2 0 329.400 3.285 10 5 EGBERP CCOc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232631 309391728 /nfs/dbraw/zinc/39/17/28/309391728.db2.gz CFCMIDWHIOLMQB-XJKSGUPXSA-N 2 0 329.400 3.344 10 5 EGBERP CCOc1cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850082 456597298 /nfs/dbraw/zinc/59/72/98/456597298.db2.gz DNBUMOUWGHKKKC-GOEBONIOSA-N 2 0 335.448 3.156 10 5 EGBERP CCC1([NH+]2CCOCC2)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599082412 460154797 /nfs/dbraw/zinc/15/47/97/460154797.db2.gz BQDZDPLEMMXTMQ-INIZCTEOSA-N 2 0 347.459 3.233 10 5 EGBERP CC1(C)C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]([NH3+])C1 ZINC000925631372 1325240027 /nfs/dbraw/zinc/24/00/27/1325240027.db2.gz XQRVKIURIWSYRT-KGLIPLIRSA-N 2 0 325.840 3.286 10 5 EGBERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284289838 455663307 /nfs/dbraw/zinc/66/33/07/455663307.db2.gz XWKLWZIRORWGQZ-LBPRGKRZSA-N 2 0 346.406 3.229 10 5 EGBERP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594735687 459146061 /nfs/dbraw/zinc/14/60/61/459146061.db2.gz NAOFJCWBEJGIFU-PXPSOEEZSA-N 2 0 329.444 3.320 10 5 EGBERP C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000597247748 459894574 /nfs/dbraw/zinc/89/45/74/459894574.db2.gz BUFHDLVYTMFJHZ-KVVHSQDJSA-N 2 0 347.459 3.041 10 5 EGBERP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927038349 1327826534 /nfs/dbraw/zinc/82/65/34/1327826534.db2.gz PRXWUHOUUJPMSM-MJJDPTRDSA-N 2 0 332.448 3.235 10 5 EGBERP CCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260033 1330086657 /nfs/dbraw/zinc/08/66/57/1330086657.db2.gz SBIOJUWXEGTNQG-AWEZNQCLSA-N 2 0 337.439 3.377 10 5 EGBERP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001328355165 1388729157 /nfs/dbraw/zinc/72/91/57/1388729157.db2.gz AVZGFRNQRSHCLM-UHFFFAOYSA-N 2 0 337.339 3.045 10 5 EGBERP O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423251357 309392325 /nfs/dbraw/zinc/39/23/25/309392325.db2.gz RVZUOCAXTDOHQG-BEFAXECRSA-N 2 0 325.412 3.273 10 5 EGBERP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000922847504 1322631696 /nfs/dbraw/zinc/63/16/96/1322631696.db2.gz SBGDTBJXWTWVIH-UHFFFAOYSA-N 2 0 333.432 3.100 10 5 EGBERP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261764172 274713478 /nfs/dbraw/zinc/71/34/78/274713478.db2.gz WCYXJXTXRJJCPN-VBNZEHGJSA-N 2 0 326.400 3.015 10 5 EGBERP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422935371 309377011 /nfs/dbraw/zinc/37/70/11/309377011.db2.gz AEVPWAGDNUDVIP-HRCADAONSA-N 2 0 333.432 3.004 10 5 EGBERP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594735686 459146768 /nfs/dbraw/zinc/14/67/68/459146768.db2.gz NAOFJCWBEJGIFU-HNSSHINMSA-N 2 0 329.444 3.320 10 5 EGBERP CCOc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365199668 168034544 /nfs/dbraw/zinc/03/45/44/168034544.db2.gz GWFIIWWTSVDHTQ-UHFFFAOYSA-N 2 0 347.459 3.301 10 5 EGBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261845075 290251502 /nfs/dbraw/zinc/25/15/02/290251502.db2.gz UWHHBGWLFAQJBM-BJZITVGISA-N 2 0 325.412 3.330 10 5 EGBERP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)o1 ZINC000414851292 309105553 /nfs/dbraw/zinc/10/55/53/309105553.db2.gz OHEULBVSPOPAMH-AWEZNQCLSA-N 2 0 329.400 3.334 10 5 EGBERP Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000576165724 460081615 /nfs/dbraw/zinc/08/16/15/460081615.db2.gz RGXHTQOLNNOTTH-CQSZACIVSA-N 2 0 325.412 3.400 10 5 EGBERP C[C@@H]1C[N@@H+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599023035 460129129 /nfs/dbraw/zinc/12/91/29/460129129.db2.gz QHLHPPJYJMSBMS-OKILXGFUSA-N 2 0 344.415 3.054 10 5 EGBERP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600757235 460592598 /nfs/dbraw/zinc/59/25/98/460592598.db2.gz STXDBAVHGDQKBT-YJBOKZPZSA-N 2 0 347.459 3.055 10 5 EGBERP CSC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000872072834 1296718008 /nfs/dbraw/zinc/71/80/08/1296718008.db2.gz KHJRIBLDGRWFKE-GFCCVEGCSA-N 2 0 341.452 3.212 10 5 EGBERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925888242 1325344691 /nfs/dbraw/zinc/34/46/91/1325344691.db2.gz RWQWFFLEIUDBSQ-UCLAIMLFSA-N 2 0 325.412 3.305 10 5 EGBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953879 231078780 /nfs/dbraw/zinc/07/87/80/231078780.db2.gz KLQPZBOXFDFOFE-MRXNPFEDSA-N 2 0 347.459 3.233 10 5 EGBERP CCOc1cc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850086 456598457 /nfs/dbraw/zinc/59/84/57/456598457.db2.gz DNBUMOUWGHKKKC-ZBFHGGJFSA-N 2 0 335.448 3.156 10 5 EGBERP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000594735622 459144714 /nfs/dbraw/zinc/14/47/14/459144714.db2.gz LLJDPJDVQNEFQF-CQSZACIVSA-N 2 0 337.851 3.460 10 5 EGBERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595009663 459214441 /nfs/dbraw/zinc/21/44/41/459214441.db2.gz CRMDUCKLKFBBQB-AWEZNQCLSA-N 2 0 335.448 3.376 10 5 EGBERP CC(C)(C)[NH+]1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000561784378 459483492 /nfs/dbraw/zinc/48/34/92/459483492.db2.gz ZTZVRBSDUHIHGG-UHFFFAOYSA-N 2 0 344.459 3.471 10 5 EGBERP O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939823 1384415347 /nfs/dbraw/zinc/41/53/47/1384415347.db2.gz XRJHGTGJQGNKSU-FQEVSTJZSA-N 2 0 345.487 3.420 10 5 EGBERP Cn1cc(CCc2cccc[n+]2CCC[N+](C)(C)C)c2ccccc21 ZINC000003620890 210066988 /nfs/dbraw/zinc/06/69/88/210066988.db2.gz BIJAWHIYYGBGJP-UHFFFAOYSA-N 2 0 337.511 3.347 10 5 EGBERP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367493 165036573 /nfs/dbraw/zinc/03/65/73/165036573.db2.gz OMJNZGGIZYIFSW-MAUKXSAKSA-N 2 0 335.448 3.089 10 5 EGBERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423290584 309394066 /nfs/dbraw/zinc/39/40/66/309394066.db2.gz DPOOCLYBEQNMRP-RRQGHBQHSA-N 2 0 343.431 3.085 10 5 EGBERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284289837 455662854 /nfs/dbraw/zinc/66/28/54/455662854.db2.gz XWKLWZIRORWGQZ-GFCCVEGCSA-N 2 0 346.406 3.229 10 5 EGBERP COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194732 1368762818 /nfs/dbraw/zinc/76/28/18/1368762818.db2.gz UKXMMQPDMHKOEB-UHFFFAOYSA-N 2 0 349.475 3.403 10 5 EGBERP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000414177180 309064948 /nfs/dbraw/zinc/06/49/48/309064948.db2.gz IBOADKFDEQIERG-SFHVURJKSA-N 2 0 336.395 3.353 10 5 EGBERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593323047 459841375 /nfs/dbraw/zinc/84/13/75/459841375.db2.gz OPBCXMDHWBQTAL-IBGZPJMESA-N 2 0 339.439 3.425 10 5 EGBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798200 1325306560 /nfs/dbraw/zinc/30/65/60/1325306560.db2.gz QLEUYBBYRPKMAG-RBSFLKMASA-N 2 0 337.489 3.301 10 5 EGBERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600709984 460575205 /nfs/dbraw/zinc/57/52/05/460575205.db2.gz LVJVKAXYCXUAEW-ZDUSSCGKSA-N 2 0 349.456 3.339 10 5 EGBERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595009665 459214591 /nfs/dbraw/zinc/21/45/91/459214591.db2.gz CRMDUCKLKFBBQB-CQSZACIVSA-N 2 0 335.448 3.376 10 5 EGBERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595050578 459228307 /nfs/dbraw/zinc/22/83/07/459228307.db2.gz SFFDAICPWICHAB-HNNXBMFYSA-N 2 0 347.459 3.136 10 5 EGBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261845080 296234465 /nfs/dbraw/zinc/23/44/65/296234465.db2.gz UWHHBGWLFAQJBM-YJLNNSPDSA-N 2 0 325.412 3.330 10 5 EGBERP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367492 165036732 /nfs/dbraw/zinc/03/67/32/165036732.db2.gz OMJNZGGIZYIFSW-CRAIPNDOSA-N 2 0 335.448 3.089 10 5 EGBERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000359802782 167236210 /nfs/dbraw/zinc/23/62/10/167236210.db2.gz MNOTYVURVQWXJO-UHFFFAOYSA-N 2 0 337.383 3.082 10 5 EGBERP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@]1(C)C[NH3+] ZINC000415056070 309117032 /nfs/dbraw/zinc/11/70/32/309117032.db2.gz PLDXJHMFADRWQV-FZKQIMNGSA-N 2 0 329.400 3.272 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000598973344 460110852 /nfs/dbraw/zinc/11/08/52/460110852.db2.gz FRIGQBAWCJWVPZ-AWEZNQCLSA-N 2 0 330.432 3.081 10 5 EGBERP CCC1([NH+]2CCOCC2)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599082426 460155252 /nfs/dbraw/zinc/15/52/52/460155252.db2.gz BQDZDPLEMMXTMQ-MRXNPFEDSA-N 2 0 347.459 3.233 10 5 EGBERP C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000095431716 218373834 /nfs/dbraw/zinc/37/38/34/218373834.db2.gz XODZVGQZRXUQBK-HNNXBMFYSA-N 2 0 340.427 3.305 10 5 EGBERP COc1ccc(-c2ccc(C[NH2+]CCCC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000338709163 163327009 /nfs/dbraw/zinc/32/70/09/163327009.db2.gz RZBMAPRUAIPISQ-UHFFFAOYSA-N 2 0 347.415 3.295 10 5 EGBERP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600757233 460592854 /nfs/dbraw/zinc/59/28/54/460592854.db2.gz STXDBAVHGDQKBT-QAPCUYQASA-N 2 0 347.459 3.055 10 5 EGBERP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594734539 459145658 /nfs/dbraw/zinc/14/56/58/459145658.db2.gz AQRHSFMEOVYSHP-MRXNPFEDSA-N 2 0 347.459 3.205 10 5 EGBERP Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595890533 459476861 /nfs/dbraw/zinc/47/68/61/459476861.db2.gz DVAUKIYRCLRPRB-CQSZACIVSA-N 2 0 325.412 3.400 10 5 EGBERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925888240 1325344455 /nfs/dbraw/zinc/34/44/55/1325344455.db2.gz RWQWFFLEIUDBSQ-BJZITVGISA-N 2 0 325.412 3.305 10 5 EGBERP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765658 1329736466 /nfs/dbraw/zinc/73/64/66/1329736466.db2.gz FWLFNHVVAWHULO-UHFFFAOYSA-N 2 0 335.448 3.346 10 5 EGBERP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000056494152 454061751 /nfs/dbraw/zinc/06/17/51/454061751.db2.gz GCYVNURYUOUJAQ-UHFFFAOYSA-N 2 0 347.459 3.172 10 5 EGBERP CCOc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000414186732 309065597 /nfs/dbraw/zinc/06/55/97/309065597.db2.gz PHDQHVFYUVKSHX-ZDUSSCGKSA-N 2 0 340.383 3.492 10 5 EGBERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423290583 309394201 /nfs/dbraw/zinc/39/42/01/309394201.db2.gz DPOOCLYBEQNMRP-JQFCIGGWSA-N 2 0 343.431 3.085 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000552283386 315210822 /nfs/dbraw/zinc/21/08/22/315210822.db2.gz BLUBVBBRLPKOOR-PMPSAXMXSA-N 2 0 337.851 3.253 10 5 EGBERP C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000597247747 459894681 /nfs/dbraw/zinc/89/46/81/459894681.db2.gz BUFHDLVYTMFJHZ-BAILOTOSSA-N 2 0 347.459 3.041 10 5 EGBERP Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000576165723 460082623 /nfs/dbraw/zinc/08/26/23/460082623.db2.gz RGXHTQOLNNOTTH-AWEZNQCLSA-N 2 0 325.412 3.400 10 5 EGBERP O=[N+]([O-])c1cccc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000923369412 1322741585 /nfs/dbraw/zinc/74/15/85/1322741585.db2.gz KAPJCOSOLJPLOH-ZXFUBFMLSA-N 2 0 329.444 3.480 10 5 EGBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364083664 144391031 /nfs/dbraw/zinc/39/10/31/144391031.db2.gz UCEXIUPVVCSDTQ-INIZCTEOSA-N 2 0 347.459 3.090 10 5 EGBERP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)o2)c1 ZINC000591281625 459347289 /nfs/dbraw/zinc/34/72/89/459347289.db2.gz GBIMFYDYZNZKCH-QGZVFWFLSA-N 2 0 327.384 3.087 10 5 EGBERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000925631371 1325239134 /nfs/dbraw/zinc/23/91/34/1325239134.db2.gz XQRVKIURIWSYRT-KBPBESRZSA-N 2 0 325.840 3.286 10 5 EGBERP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCC[C@H]21 ZINC000580494140 325256468 /nfs/dbraw/zinc/25/64/68/325256468.db2.gz ZCDNUKQNNGYXLE-AYOQOUSVSA-N 2 0 342.443 3.081 10 5 EGBERP Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302185624 456309787 /nfs/dbraw/zinc/30/97/87/456309787.db2.gz PGPXOCNGERNKGJ-HNNXBMFYSA-N 2 0 326.400 3.126 10 5 EGBERP COc1ccc(-c2ccc(C[NH2+]CCC3(C[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000593314286 459837902 /nfs/dbraw/zinc/83/79/02/459837902.db2.gz CFNPNOMZUQQTRE-UHFFFAOYSA-N 2 0 345.399 3.082 10 5 EGBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000594509501 459067613 /nfs/dbraw/zinc/06/76/13/459067613.db2.gz IXMBUBXONTZRPP-CWLKWCNXSA-N 2 0 331.460 3.236 10 5 EGBERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000593314794 459838826 /nfs/dbraw/zinc/83/88/26/459838826.db2.gz AANFHYWHBLEBBC-OAHLLOKOSA-N 2 0 327.428 3.425 10 5 EGBERP